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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 176 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 176 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: 885
n_atoms_counter: 885
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 176 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 176 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: 885
n_atoms_counter: 885
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 176 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 176 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: 885
n_atoms_counter: 885
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 176 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 176 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: 885
n_atoms_counter: 885
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 176 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 176 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: 885
n_atoms_counter: 885
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 176 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 176 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: 885
n_atoms_counter: 885
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 176 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 176 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: 885
n_atoms_counter: 885
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 176 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 176 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: 885
n_atoms_counter: 885
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 176 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 176 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: 885
n_atoms_counter: 885
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 176 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 176 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: 885
n_atoms_counter: 885
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.278210 (E_RNA)
where:
Base-Base interactions energy: -1370.618
where: short stacking energy: -579.649
Base-Backbone interact. energy: -2.441
local terms energy: -599.218582
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -142.455
flat angles C4'-P-C4' energy: -121.176
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -160.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.278210 (E_RNA)
where:
Base-Base interactions energy: -1370.618
where: short stacking energy: -579.649
Base-Backbone interact. energy: -2.441
local terms energy: -599.218582
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -142.455
flat angles C4'-P-C4' energy: -121.176
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -160.337
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.278210 (E_RNA)
where:
Base-Base interactions energy: -1370.618
where: short stacking energy: -579.649
Base-Backbone interact. energy: -2.441
local terms energy: -599.218582
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -142.455
flat angles C4'-P-C4' energy: -121.176
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -160.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.278210 (E_RNA)
where:
Base-Base interactions energy: -1370.618
where: short stacking energy: -579.649
Base-Backbone interact. energy: -2.441
local terms energy: -599.218582
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -142.455
flat angles C4'-P-C4' energy: -121.176
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -160.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.278210 (E_RNA)
where:
Base-Base interactions energy: -1370.618
where: short stacking energy: -579.649
Base-Backbone interact. energy: -2.441
local terms energy: -599.218582
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -142.455
flat angles C4'-P-C4' energy: -121.176
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -160.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.278210 (E_RNA)
where:
Base-Base interactions energy: -1370.618
where: short stacking energy: -579.649
Base-Backbone interact. energy: -2.441
local terms energy: -599.218582
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -142.455
flat angles C4'-P-C4' energy: -121.176
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -160.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.278210 (E_RNA)
where:
Base-Base interactions energy: -1370.618
where: short stacking energy: -579.649
Base-Backbone interact. energy: -2.441
local terms energy: -599.218582
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -142.455
flat angles C4'-P-C4' energy: -121.176
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -160.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.278210 (E_RNA)
where:
Base-Base interactions energy: -1370.618
where: short stacking energy: -579.649
Base-Backbone interact. energy: -2.441
local terms energy: -599.218582
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -142.455
flat angles C4'-P-C4' energy: -121.176
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -160.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.278210 (E_RNA)
where:
Base-Base interactions energy: -1370.618
where: short stacking energy: -579.649
Base-Backbone interact. energy: -2.441
local terms energy: -599.218582
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -142.455
flat angles C4'-P-C4' energy: -121.176
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -160.337
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.278210 (E_RNA)
where:
Base-Base interactions energy: -1370.618
where: short stacking energy: -579.649
Base-Backbone interact. energy: -2.441
local terms energy: -599.218582
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -142.455
flat angles C4'-P-C4' energy: -121.176
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -160.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1977.323416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.323416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.323416 (E_RNA)
where:
Base-Base interactions energy: -1369.539
where: short stacking energy: -581.860
Base-Backbone interact. energy: -2.610
local terms energy: -605.174986
where:
bonds (distance) C4'-P energy: -94.702
bonds (distance) P-C4' energy: -141.271
flat angles C4'-P-C4' energy: -122.811
flat angles P-C4'-P energy: -85.930
tors. eta vs tors. theta energy: -160.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1978.839644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.839644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.839644 (E_RNA)
where:
Base-Base interactions energy: -1371.013
where: short stacking energy: -576.964
Base-Backbone interact. energy: -3.528
local terms energy: -604.297809
where:
bonds (distance) C4'-P energy: -108.238
bonds (distance) P-C4' energy: -126.225
flat angles C4'-P-C4' energy: -125.182
flat angles P-C4'-P energy: -86.489
tors. eta vs tors. theta energy: -158.165
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1977.260261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.260261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.260261 (E_RNA)
where:
Base-Base interactions energy: -1370.122
where: short stacking energy: -581.085
Base-Backbone interact. energy: -2.898
local terms energy: -604.239777
where:
bonds (distance) C4'-P energy: -94.714
bonds (distance) P-C4' energy: -142.352
flat angles C4'-P-C4' energy: -120.966
flat angles P-C4'-P energy: -85.976
tors. eta vs tors. theta energy: -160.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1973.824688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.824688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.824688 (E_RNA)
where:
Base-Base interactions energy: -1369.725
where: short stacking energy: -580.798
Base-Backbone interact. energy: -3.017
local terms energy: -601.082100
where:
bonds (distance) C4'-P energy: -93.480
bonds (distance) P-C4' energy: -139.271
flat angles C4'-P-C4' energy: -122.079
flat angles P-C4'-P energy: -86.187
tors. eta vs tors. theta energy: -160.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1977.267684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.267684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.267684 (E_RNA)
where:
Base-Base interactions energy: -1372.822
where: short stacking energy: -581.816
Base-Backbone interact. energy: -2.816
local terms energy: -601.629796
where:
bonds (distance) C4'-P energy: -93.618
bonds (distance) P-C4' energy: -139.309
flat angles C4'-P-C4' energy: -120.986
flat angles P-C4'-P energy: -87.383
tors. eta vs tors. theta energy: -160.334
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1974.650268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.650268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.650268 (E_RNA)
where:
Base-Base interactions energy: -1371.536
where: short stacking energy: -581.959
Base-Backbone interact. energy: -2.825
local terms energy: -600.289001
where:
bonds (distance) C4'-P energy: -92.905
bonds (distance) P-C4' energy: -139.623
flat angles C4'-P-C4' energy: -120.831
flat angles P-C4'-P energy: -87.490
tors. eta vs tors. theta energy: -159.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1972.694667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.694667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.694667 (E_RNA)
where:
Base-Base interactions energy: -1371.222
where: short stacking energy: -582.708
Base-Backbone interact. energy: -3.268
local terms energy: -598.204681
where:
bonds (distance) C4'-P energy: -92.218
bonds (distance) P-C4' energy: -137.634
flat angles C4'-P-C4' energy: -121.799
flat angles P-C4'-P energy: -87.084
tors. eta vs tors. theta energy: -159.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -1974.489392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.489392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.489392 (E_RNA)
where:
Base-Base interactions energy: -1370.503
where: short stacking energy: -582.514
Base-Backbone interact. energy: -3.138
local terms energy: -600.848268
where:
bonds (distance) C4'-P energy: -92.574
bonds (distance) P-C4' energy: -139.603
flat angles C4'-P-C4' energy: -122.664
flat angles P-C4'-P energy: -86.638
tors. eta vs tors. theta energy: -159.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -1974.585465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.585465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.585465 (E_RNA)
where:
Base-Base interactions energy: -1371.699
where: short stacking energy: -581.746
Base-Backbone interact. energy: -3.138
local terms energy: -599.748014
where:
bonds (distance) C4'-P energy: -91.849
bonds (distance) P-C4' energy: -140.054
flat angles C4'-P-C4' energy: -122.698
flat angles P-C4'-P energy: -85.661
tors. eta vs tors. theta energy: -159.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -1974.357436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.357436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.357436 (E_RNA)
where:
Base-Base interactions energy: -1369.867
where: short stacking energy: -581.946
Base-Backbone interact. energy: -3.324
local terms energy: -601.166559
where:
bonds (distance) C4'-P energy: -92.321
bonds (distance) P-C4' energy: -140.057
flat angles C4'-P-C4' energy: -123.266
flat angles P-C4'-P energy: -86.092
tors. eta vs tors. theta energy: -159.432
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: 3
Temperature: 0.900000
Total energy: -1877.811721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.811721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.811721 (E_RNA)
where:
Base-Base interactions energy: -1309.103
where: short stacking energy: -541.448
Base-Backbone interact. energy: -2.694
local terms energy: -566.014432
where:
bonds (distance) C4'-P energy: -97.133
bonds (distance) P-C4' energy: -105.255
flat angles C4'-P-C4' energy: -124.623
flat angles P-C4'-P energy: -81.814
tors. eta vs tors. theta energy: -157.189
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: 3
Temperature: 0.950000
Total energy: -1799.923841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.923841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.923841 (E_RNA)
where:
Base-Base interactions energy: -1243.461
where: short stacking energy: -500.908
Base-Backbone interact. energy: -2.291
local terms energy: -554.171915
where:
bonds (distance) C4'-P energy: -105.100
bonds (distance) P-C4' energy: -103.516
flat angles C4'-P-C4' energy: -111.153
flat angles P-C4'-P energy: -78.548
tors. eta vs tors. theta energy: -155.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1761.666658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.666658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.666658 (E_RNA)
where:
Base-Base interactions energy: -1201.471
where: short stacking energy: -499.032
Base-Backbone interact. energy: -2.060
local terms energy: -558.136122
where:
bonds (distance) C4'-P energy: -114.091
bonds (distance) P-C4' energy: -96.069
flat angles C4'-P-C4' energy: -121.757
flat angles P-C4'-P energy: -86.358
tors. eta vs tors. theta energy: -139.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1749.864181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.864181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.864181 (E_RNA)
where:
Base-Base interactions energy: -1197.242
where: short stacking energy: -499.595
Base-Backbone interact. energy: -3.926
local terms energy: -548.695765
where:
bonds (distance) C4'-P energy: -95.147
bonds (distance) P-C4' energy: -109.290
flat angles C4'-P-C4' energy: -121.310
flat angles P-C4'-P energy: -72.139
tors. eta vs tors. theta energy: -150.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1604.312857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.312857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.312857 (E_RNA)
where:
Base-Base interactions energy: -1119.788
where: short stacking energy: -453.146
Base-Backbone interact. energy: -0.967
local terms energy: -483.558811
where:
bonds (distance) C4'-P energy: -85.748
bonds (distance) P-C4' energy: -93.003
flat angles C4'-P-C4' energy: -113.457
flat angles P-C4'-P energy: -62.915
tors. eta vs tors. theta energy: -128.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -1569.337612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.337612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.337612 (E_RNA)
where:
Base-Base interactions energy: -1087.900
where: short stacking energy: -458.989
Base-Backbone interact. energy: -4.508
local terms energy: -476.928970
where:
bonds (distance) C4'-P energy: -96.312
bonds (distance) P-C4' energy: -96.110
flat angles C4'-P-C4' energy: -105.347
flat angles P-C4'-P energy: -60.731
tors. eta vs tors. theta energy: -118.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -1541.739145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.739145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.739145 (E_RNA)
where:
Base-Base interactions energy: -1086.399
where: short stacking energy: -443.179
Base-Backbone interact. energy: -0.069
local terms energy: -455.271027
where:
bonds (distance) C4'-P energy: -90.474
bonds (distance) P-C4' energy: -75.582
flat angles C4'-P-C4' energy: -99.009
flat angles P-C4'-P energy: -62.730
tors. eta vs tors. theta energy: -127.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1396.762214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.762214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.762214 (E_RNA)
where:
Base-Base interactions energy: -958.667
where: short stacking energy: -417.905
Base-Backbone interact. energy: 2.605
local terms energy: -440.701120
where:
bonds (distance) C4'-P energy: -91.155
bonds (distance) P-C4' energy: -65.480
flat angles C4'-P-C4' energy: -110.640
flat angles P-C4'-P energy: -58.738
tors. eta vs tors. theta energy: -114.688
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -1284.447130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.447130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.447130 (E_RNA)
where:
Base-Base interactions energy: -842.465
where: short stacking energy: -361.100
Base-Backbone interact. energy: -0.737
local terms energy: -441.245137
where:
bonds (distance) C4'-P energy: -85.288
bonds (distance) P-C4' energy: -107.594
flat angles C4'-P-C4' energy: -85.015
flat angles P-C4'-P energy: -70.612
tors. eta vs tors. theta energy: -92.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -1267.728219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.728219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.728219 (E_RNA)
where:
Base-Base interactions energy: -887.149
where: short stacking energy: -350.663
Base-Backbone interact. energy: -1.143
local terms energy: -379.436762
where:
bonds (distance) C4'-P energy: -74.050
bonds (distance) P-C4' energy: -97.117
flat angles C4'-P-C4' energy: -78.641
flat angles P-C4'-P energy: -49.111
tors. eta vs tors. theta energy: -80.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1880.806267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.806267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.806267 (E_RNA)
where:
Base-Base interactions energy: -1316.268
where: short stacking energy: -552.987
Base-Backbone interact. energy: -0.841
local terms energy: -563.698117
where:
bonds (distance) C4'-P energy: -111.874
bonds (distance) P-C4' energy: -108.776
flat angles C4'-P-C4' energy: -128.739
flat angles P-C4'-P energy: -60.371
tors. eta vs tors. theta energy: -153.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1775.921117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.921117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.921117 (E_RNA)
where:
Base-Base interactions energy: -1237.271
where: short stacking energy: -515.248
Base-Backbone interact. energy: -3.439
local terms energy: -535.211718
where:
bonds (distance) C4'-P energy: -97.150
bonds (distance) P-C4' energy: -104.079
flat angles C4'-P-C4' energy: -106.818
flat angles P-C4'-P energy: -81.315
tors. eta vs tors. theta energy: -145.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1767.306463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.306463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.306463 (E_RNA)
where:
Base-Base interactions energy: -1204.826
where: short stacking energy: -490.807
Base-Backbone interact. energy: -3.389
local terms energy: -559.091360
where:
bonds (distance) C4'-P energy: -102.251
bonds (distance) P-C4' energy: -109.033
flat angles C4'-P-C4' energy: -121.905
flat angles P-C4'-P energy: -78.685
tors. eta vs tors. theta energy: -147.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1715.911564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.911564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.911564 (E_RNA)
where:
Base-Base interactions energy: -1179.017
where: short stacking energy: -490.984
Base-Backbone interact. energy: -5.167
local terms energy: -531.727917
where:
bonds (distance) C4'-P energy: -96.417
bonds (distance) P-C4' energy: -91.531
flat angles C4'-P-C4' energy: -119.879
flat angles P-C4'-P energy: -86.751
tors. eta vs tors. theta energy: -137.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1641.038003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.038003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.038003 (E_RNA)
where:
Base-Base interactions energy: -1105.954
where: short stacking energy: -458.262
Base-Backbone interact. energy: -2.039
local terms energy: -533.045389
where:
bonds (distance) C4'-P energy: -95.833
bonds (distance) P-C4' energy: -103.466
flat angles C4'-P-C4' energy: -115.576
flat angles P-C4'-P energy: -78.718
tors. eta vs tors. theta energy: -139.452
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: 4
Temperature: 1.150000
Total energy: -1592.651378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.651378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.651378 (E_RNA)
where:
Base-Base interactions energy: -1103.540
where: short stacking energy: -460.900
Base-Backbone interact. energy: -1.892
local terms energy: -487.219522
where:
bonds (distance) C4'-P energy: -91.104
bonds (distance) P-C4' energy: -94.774
flat angles C4'-P-C4' energy: -111.054
flat angles P-C4'-P energy: -60.165
tors. eta vs tors. theta energy: -130.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1460.286257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.286257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.286257 (E_RNA)
where:
Base-Base interactions energy: -1011.592
where: short stacking energy: -421.993
Base-Backbone interact. energy: -1.968
local terms energy: -446.726836
where:
bonds (distance) C4'-P energy: -76.416
bonds (distance) P-C4' energy: -98.253
flat angles C4'-P-C4' energy: -87.953
flat angles P-C4'-P energy: -70.690
tors. eta vs tors. theta energy: -113.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1390.114313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.114313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.114313 (E_RNA)
where:
Base-Base interactions energy: -949.211
where: short stacking energy: -367.195
Base-Backbone interact. energy: 3.367
local terms energy: -444.269888
where:
bonds (distance) C4'-P energy: -82.276
bonds (distance) P-C4' energy: -97.373
flat angles C4'-P-C4' energy: -86.542
flat angles P-C4'-P energy: -81.780
tors. eta vs tors. theta energy: -96.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1325.932450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.932450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.932450 (E_RNA)
where:
Base-Base interactions energy: -912.347
where: short stacking energy: -365.052
Base-Backbone interact. energy: 1.335
local terms energy: -414.920818
where:
bonds (distance) C4'-P energy: -91.909
bonds (distance) P-C4' energy: -77.375
flat angles C4'-P-C4' energy: -113.518
flat angles P-C4'-P energy: -54.439
tors. eta vs tors. theta energy: -77.680
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: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -1242.134722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.134722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.134722 (E_RNA)
where:
Base-Base interactions energy: -851.029
where: short stacking energy: -357.573
Base-Backbone interact. energy: 0.985
local terms energy: -392.090934
where:
bonds (distance) C4'-P energy: -85.209
bonds (distance) P-C4' energy: -76.749
flat angles C4'-P-C4' energy: -103.769
flat angles P-C4'-P energy: -51.663
tors. eta vs tors. theta energy: -74.700
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1899.416425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.416425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.416425 (E_RNA)
where:
Base-Base interactions energy: -1319.078
where: short stacking energy: -566.751
Base-Backbone interact. energy: -2.852
local terms energy: -577.486940
where:
bonds (distance) C4'-P energy: -99.165
bonds (distance) P-C4' energy: -120.576
flat angles C4'-P-C4' energy: -121.478
flat angles P-C4'-P energy: -79.401
tors. eta vs tors. theta energy: -156.867
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: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1780.050118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.050118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.050118 (E_RNA)
where:
Base-Base interactions energy: -1210.097
where: short stacking energy: -492.010
Base-Backbone interact. energy: -2.470
local terms energy: -567.482742
where:
bonds (distance) C4'-P energy: -110.110
bonds (distance) P-C4' energy: -117.478
flat angles C4'-P-C4' energy: -114.824
flat angles P-C4'-P energy: -78.623
tors. eta vs tors. theta energy: -146.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1749.028651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.028651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.028651 (E_RNA)
where:
Base-Base interactions energy: -1192.420
where: short stacking energy: -497.964
Base-Backbone interact. energy: 1.630
local terms energy: -558.239112
where:
bonds (distance) C4'-P energy: -116.515
bonds (distance) P-C4' energy: -103.282
flat angles C4'-P-C4' energy: -126.126
flat angles P-C4'-P energy: -65.730
tors. eta vs tors. theta energy: -146.587
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: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1731.228578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.228578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.228578 (E_RNA)
where:
Base-Base interactions energy: -1214.682
where: short stacking energy: -490.175
Base-Backbone interact. energy: -2.348
local terms energy: -514.199073
where:
bonds (distance) C4'-P energy: -89.042
bonds (distance) P-C4' energy: -100.849
flat angles C4'-P-C4' energy: -104.733
flat angles P-C4'-P energy: -61.380
tors. eta vs tors. theta energy: -158.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1621.218907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.218907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.218907 (E_RNA)
where:
Base-Base interactions energy: -1102.317
where: short stacking energy: -445.258
Base-Backbone interact. energy: -3.783
local terms energy: -515.119457
where:
bonds (distance) C4'-P energy: -100.942
bonds (distance) P-C4' energy: -106.270
flat angles C4'-P-C4' energy: -105.662
flat angles P-C4'-P energy: -78.414
tors. eta vs tors. theta energy: -123.832
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1580.386894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.386894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.386894 (E_RNA)
where:
Base-Base interactions energy: -1099.199
where: short stacking energy: -451.844
Base-Backbone interact. energy: 0.080
local terms energy: -481.267674
where:
bonds (distance) C4'-P energy: -92.135
bonds (distance) P-C4' energy: -75.882
flat angles C4'-P-C4' energy: -114.966
flat angles P-C4'-P energy: -71.828
tors. eta vs tors. theta energy: -126.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -1492.351359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.351359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.351359 (E_RNA)
where:
Base-Base interactions energy: -1010.992
where: short stacking energy: -400.818
Base-Backbone interact. energy: -1.556
local terms energy: -479.803212
where:
bonds (distance) C4'-P energy: -100.922
bonds (distance) P-C4' energy: -109.308
flat angles C4'-P-C4' energy: -93.290
flat angles P-C4'-P energy: -69.213
tors. eta vs tors. theta energy: -107.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -1360.121772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.121772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.121772 (E_RNA)
where:
Base-Base interactions energy: -971.602
where: short stacking energy: -390.510
Base-Backbone interact. energy: -1.482
local terms energy: -387.037546
where:
bonds (distance) C4'-P energy: -80.032
bonds (distance) P-C4' energy: -74.683
flat angles C4'-P-C4' energy: -90.087
flat angles P-C4'-P energy: -44.690
tors. eta vs tors. theta energy: -97.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1338.469536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.469536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.469536 (E_RNA)
where:
Base-Base interactions energy: -904.398
where: short stacking energy: -374.881
Base-Backbone interact. energy: -0.443
local terms energy: -433.628253
where:
bonds (distance) C4'-P energy: -80.293
bonds (distance) P-C4' energy: -79.972
flat angles C4'-P-C4' energy: -102.893
flat angles P-C4'-P energy: -68.130
tors. eta vs tors. theta energy: -102.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -1188.342554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.342554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.342554 (E_RNA)
where:
Base-Base interactions energy: -767.189
where: short stacking energy: -327.459
Base-Backbone interact. energy: 0.616
local terms energy: -421.769717
where:
bonds (distance) C4'-P energy: -87.771
bonds (distance) P-C4' energy: -89.277
flat angles C4'-P-C4' energy: -107.355
flat angles P-C4'-P energy: -59.188
tors. eta vs tors. theta energy: -78.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1875.805487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.805487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.805487 (E_RNA)
where:
Base-Base interactions energy: -1286.287
where: short stacking energy: -553.821
Base-Backbone interact. energy: -2.424
local terms energy: -587.095159
where:
bonds (distance) C4'-P energy: -113.042
bonds (distance) P-C4' energy: -107.700
flat angles C4'-P-C4' energy: -115.768
flat angles P-C4'-P energy: -94.420
tors. eta vs tors. theta energy: -156.166
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: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1820.560852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.560852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.560852 (E_RNA)
where:
Base-Base interactions energy: -1247.646
where: short stacking energy: -519.217
Base-Backbone interact. energy: -0.969
local terms energy: -571.946482
where:
bonds (distance) C4'-P energy: -105.411
bonds (distance) P-C4' energy: -95.071
flat angles C4'-P-C4' energy: -129.474
flat angles P-C4'-P energy: -88.093
tors. eta vs tors. theta energy: -153.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1787.844623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.844623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.844623 (E_RNA)
where:
Base-Base interactions energy: -1227.912
where: short stacking energy: -528.769
Base-Backbone interact. energy: -2.627
local terms energy: -557.305822
where:
bonds (distance) C4'-P energy: -113.717
bonds (distance) P-C4' energy: -95.060
flat angles C4'-P-C4' energy: -114.925
flat angles P-C4'-P energy: -82.507
tors. eta vs tors. theta energy: -151.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1731.414402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.414402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.414402 (E_RNA)
where:
Base-Base interactions energy: -1196.819
where: short stacking energy: -484.119
Base-Backbone interact. energy: -2.440
local terms energy: -532.155929
where:
bonds (distance) C4'-P energy: -118.781
bonds (distance) P-C4' energy: -87.867
flat angles C4'-P-C4' energy: -108.336
flat angles P-C4'-P energy: -81.742
tors. eta vs tors. theta energy: -135.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1616.529396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.529396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.529396 (E_RNA)
where:
Base-Base interactions energy: -1118.540
where: short stacking energy: -467.823
Base-Backbone interact. energy: -1.706
local terms energy: -496.284108
where:
bonds (distance) C4'-P energy: -93.289
bonds (distance) P-C4' energy: -94.702
flat angles C4'-P-C4' energy: -110.000
flat angles P-C4'-P energy: -65.178
tors. eta vs tors. theta energy: -133.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1554.651926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.651926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.651926 (E_RNA)
where:
Base-Base interactions energy: -1064.801
where: short stacking energy: -448.312
Base-Backbone interact. energy: 2.433
local terms energy: -492.283877
where:
bonds (distance) C4'-P energy: -97.508
bonds (distance) P-C4' energy: -90.458
flat angles C4'-P-C4' energy: -117.020
flat angles P-C4'-P energy: -68.948
tors. eta vs tors. theta energy: -118.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1498.318484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.318484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.318484 (E_RNA)
where:
Base-Base interactions energy: -1003.579
where: short stacking energy: -400.749
Base-Backbone interact. energy: 0.911
local terms energy: -495.650071
where:
bonds (distance) C4'-P energy: -92.144
bonds (distance) P-C4' energy: -104.764
flat angles C4'-P-C4' energy: -106.728
flat angles P-C4'-P energy: -78.534
tors. eta vs tors. theta energy: -113.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -1388.177495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.177495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.177495 (E_RNA)
where:
Base-Base interactions energy: -947.780
where: short stacking energy: -369.298
Base-Backbone interact. energy: 1.027
local terms energy: -441.424935
where:
bonds (distance) C4'-P energy: -85.321
bonds (distance) P-C4' energy: -94.974
flat angles C4'-P-C4' energy: -100.605
flat angles P-C4'-P energy: -67.336
tors. eta vs tors. theta energy: -93.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -1306.271245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.271245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.271245 (E_RNA)
where:
Base-Base interactions energy: -899.742
where: short stacking energy: -378.568
Base-Backbone interact. energy: -3.182
local terms energy: -403.347396
where:
bonds (distance) C4'-P energy: -86.098
bonds (distance) P-C4' energy: -81.913
flat angles C4'-P-C4' energy: -78.972
flat angles P-C4'-P energy: -58.767
tors. eta vs tors. theta energy: -97.596
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: 6
Temperature: 1.350000
Total energy: -1133.338795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.338795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.338795 (E_RNA)
where:
Base-Base interactions energy: -774.324
where: short stacking energy: -304.350
Base-Backbone interact. energy: -3.562
local terms energy: -355.452611
where:
bonds (distance) C4'-P energy: -64.827
bonds (distance) P-C4' energy: -81.213
flat angles C4'-P-C4' energy: -87.272
flat angles P-C4'-P energy: -57.744
tors. eta vs tors. theta energy: -64.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1886.609855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.609855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.609855 (E_RNA)
where:
Base-Base interactions energy: -1315.600
where: short stacking energy: -550.098
Base-Backbone interact. energy: -1.643
local terms energy: -569.366301
where:
bonds (distance) C4'-P energy: -104.810
bonds (distance) P-C4' energy: -102.579
flat angles C4'-P-C4' energy: -125.478
flat angles P-C4'-P energy: -75.078
tors. eta vs tors. theta energy: -161.421
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: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1822.078022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.078022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.078022 (E_RNA)
where:
Base-Base interactions energy: -1246.408
where: short stacking energy: -511.531
Base-Backbone interact. energy: -4.175
local terms energy: -571.495219
where:
bonds (distance) C4'-P energy: -111.577
bonds (distance) P-C4' energy: -102.826
flat angles C4'-P-C4' energy: -112.670
flat angles P-C4'-P energy: -91.395
tors. eta vs tors. theta energy: -153.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1760.038540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.038540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.038540 (E_RNA)
where:
Base-Base interactions energy: -1246.021
where: short stacking energy: -524.501
Base-Backbone interact. energy: -2.050
local terms energy: -511.968188
where:
bonds (distance) C4'-P energy: -85.017
bonds (distance) P-C4' energy: -105.395
flat angles C4'-P-C4' energy: -101.825
flat angles P-C4'-P energy: -73.778
tors. eta vs tors. theta energy: -145.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1708.853771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.853771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.853771 (E_RNA)
where:
Base-Base interactions energy: -1168.153
where: short stacking energy: -468.834
Base-Backbone interact. energy: 2.778
local terms energy: -543.477961
where:
bonds (distance) C4'-P energy: -101.854
bonds (distance) P-C4' energy: -115.608
flat angles C4'-P-C4' energy: -111.916
flat angles P-C4'-P energy: -76.168
tors. eta vs tors. theta energy: -137.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1634.770451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.770451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.770451 (E_RNA)
where:
Base-Base interactions energy: -1117.705
where: short stacking energy: -449.629
Base-Backbone interact. energy: -2.477
local terms energy: -514.588398
where:
bonds (distance) C4'-P energy: -111.607
bonds (distance) P-C4' energy: -104.455
flat angles C4'-P-C4' energy: -106.624
flat angles P-C4'-P energy: -64.755
tors. eta vs tors. theta energy: -127.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -1571.303417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.303417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.303417 (E_RNA)
where:
Base-Base interactions energy: -1095.525
where: short stacking energy: -483.646
Base-Backbone interact. energy: -1.695
local terms energy: -474.082881
where:
bonds (distance) C4'-P energy: -89.120
bonds (distance) P-C4' energy: -97.530
flat angles C4'-P-C4' energy: -98.270
flat angles P-C4'-P energy: -61.735
tors. eta vs tors. theta energy: -127.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1437.834092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.834092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.834092 (E_RNA)
where:
Base-Base interactions energy: -954.506
where: short stacking energy: -375.119
Base-Backbone interact. energy: -0.630
local terms energy: -482.697846
where:
bonds (distance) C4'-P energy: -104.438
bonds (distance) P-C4' energy: -113.457
flat angles C4'-P-C4' energy: -99.978
flat angles P-C4'-P energy: -69.919
tors. eta vs tors. theta energy: -94.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1379.486416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.486416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.486416 (E_RNA)
where:
Base-Base interactions energy: -928.258
where: short stacking energy: -353.530
Base-Backbone interact. energy: 4.602
local terms energy: -455.830914
where:
bonds (distance) C4'-P energy: -96.952
bonds (distance) P-C4' energy: -95.321
flat angles C4'-P-C4' energy: -107.065
flat angles P-C4'-P energy: -71.016
tors. eta vs tors. theta energy: -85.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1199.654027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.654027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.654027 (E_RNA)
where:
Base-Base interactions energy: -813.952
where: short stacking energy: -332.466
Base-Backbone interact. energy: -0.591
local terms energy: -385.110309
where:
bonds (distance) C4'-P energy: -71.353
bonds (distance) P-C4' energy: -93.613
flat angles C4'-P-C4' energy: -89.822
flat angles P-C4'-P energy: -56.636
tors. eta vs tors. theta energy: -73.686
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: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1132.441132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.441132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.441132 (E_RNA)
where:
Base-Base interactions energy: -754.690
where: short stacking energy: -303.096
Base-Backbone interact. energy: -3.342
local terms energy: -374.409135
where:
bonds (distance) C4'-P energy: -78.926
bonds (distance) P-C4' energy: -98.544
flat angles C4'-P-C4' energy: -85.341
flat angles P-C4'-P energy: -43.082
tors. eta vs tors. theta energy: -68.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1889.221583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.221583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.221583 (E_RNA)
where:
Base-Base interactions energy: -1309.145
where: short stacking energy: -529.730
Base-Backbone interact. energy: -2.612
local terms energy: -577.465219
where:
bonds (distance) C4'-P energy: -108.607
bonds (distance) P-C4' energy: -114.824
flat angles C4'-P-C4' energy: -127.155
flat angles P-C4'-P energy: -69.572
tors. eta vs tors. theta energy: -157.308
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: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1813.186708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.186708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.186708 (E_RNA)
where:
Base-Base interactions energy: -1240.615
where: short stacking energy: -518.908
Base-Backbone interact. energy: -2.809
local terms energy: -569.763086
where:
bonds (distance) C4'-P energy: -106.470
bonds (distance) P-C4' energy: -108.496
flat angles C4'-P-C4' energy: -126.783
flat angles P-C4'-P energy: -83.316
tors. eta vs tors. theta energy: -144.698
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: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1753.853402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.853402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.853402 (E_RNA)
where:
Base-Base interactions energy: -1220.293
where: short stacking energy: -523.489
Base-Backbone interact. energy: -0.220
local terms energy: -533.341237
where:
bonds (distance) C4'-P energy: -103.503
bonds (distance) P-C4' energy: -98.035
flat angles C4'-P-C4' energy: -114.157
flat angles P-C4'-P energy: -76.514
tors. eta vs tors. theta energy: -141.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1694.302141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.302141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.302141 (E_RNA)
where:
Base-Base interactions energy: -1151.935
where: short stacking energy: -480.316
Base-Backbone interact. energy: -0.121
local terms energy: -542.246612
where:
bonds (distance) C4'-P energy: -85.472
bonds (distance) P-C4' energy: -107.367
flat angles C4'-P-C4' energy: -125.843
flat angles P-C4'-P energy: -82.413
tors. eta vs tors. theta energy: -141.152
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: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1601.058037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.058037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.058037 (E_RNA)
where:
Base-Base interactions energy: -1099.989
where: short stacking energy: -441.486
Base-Backbone interact. energy: -1.358
local terms energy: -499.710891
where:
bonds (distance) C4'-P energy: -80.385
bonds (distance) P-C4' energy: -115.236
flat angles C4'-P-C4' energy: -110.518
flat angles P-C4'-P energy: -74.579
tors. eta vs tors. theta energy: -118.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1544.545068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.545068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.545068 (E_RNA)
where:
Base-Base interactions energy: -1058.460
where: short stacking energy: -446.706
Base-Backbone interact. energy: -0.383
local terms energy: -485.702216
where:
bonds (distance) C4'-P energy: -83.623
bonds (distance) P-C4' energy: -94.285
flat angles C4'-P-C4' energy: -108.378
flat angles P-C4'-P energy: -71.643
tors. eta vs tors. theta energy: -127.773
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: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -1386.757026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.757026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.757026 (E_RNA)
where:
Base-Base interactions energy: -951.233
where: short stacking energy: -382.884
Base-Backbone interact. energy: -0.335
local terms energy: -435.188576
where:
bonds (distance) C4'-P energy: -79.635
bonds (distance) P-C4' energy: -115.322
flat angles C4'-P-C4' energy: -89.734
flat angles P-C4'-P energy: -61.336
tors. eta vs tors. theta energy: -89.161
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: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1401.953430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.953430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.953430 (E_RNA)
where:
Base-Base interactions energy: -963.547
where: short stacking energy: -396.175
Base-Backbone interact. energy: -1.349
local terms energy: -437.057050
where:
bonds (distance) C4'-P energy: -96.555
bonds (distance) P-C4' energy: -100.559
flat angles C4'-P-C4' energy: -92.600
flat angles P-C4'-P energy: -47.458
tors. eta vs tors. theta energy: -99.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1188.031702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.031702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.031702 (E_RNA)
where:
Base-Base interactions energy: -805.169
where: short stacking energy: -345.218
Base-Backbone interact. energy: -1.642
local terms energy: -381.220410
where:
bonds (distance) C4'-P energy: -76.619
bonds (distance) P-C4' energy: -93.987
flat angles C4'-P-C4' energy: -104.833
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: -62.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1116.603321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.603321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.603321 (E_RNA)
where:
Base-Base interactions energy: -701.979
where: short stacking energy: -318.572
Base-Backbone interact. energy: 2.558
local terms energy: -417.182250
where:
bonds (distance) C4'-P energy: -86.131
bonds (distance) P-C4' energy: -100.715
flat angles C4'-P-C4' energy: -96.113
flat angles P-C4'-P energy: -56.611
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: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1877.982059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.982059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.982059 (E_RNA)
where:
Base-Base interactions energy: -1278.439
where: short stacking energy: -533.149
Base-Backbone interact. energy: -3.882
local terms energy: -595.660926
where:
bonds (distance) C4'-P energy: -118.233
bonds (distance) P-C4' energy: -110.753
flat angles C4'-P-C4' energy: -118.725
flat angles P-C4'-P energy: -85.783
tors. eta vs tors. theta energy: -162.166
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: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1810.887210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.887210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.887210 (E_RNA)
where:
Base-Base interactions energy: -1225.886
where: short stacking energy: -511.834
Base-Backbone interact. energy: -1.689
local terms energy: -583.312934
where:
bonds (distance) C4'-P energy: -111.082
bonds (distance) P-C4' energy: -114.233
flat angles C4'-P-C4' energy: -128.278
flat angles P-C4'-P energy: -73.315
tors. eta vs tors. theta energy: -156.405
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: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1744.632052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.632052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.632052 (E_RNA)
where:
Base-Base interactions energy: -1188.906
where: short stacking energy: -520.443
Base-Backbone interact. energy: -1.699
local terms energy: -554.026895
where:
bonds (distance) C4'-P energy: -104.654
bonds (distance) P-C4' energy: -96.616
flat angles C4'-P-C4' energy: -125.687
flat angles P-C4'-P energy: -74.275
tors. eta vs tors. theta energy: -152.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1691.841631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.841631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.841631 (E_RNA)
where:
Base-Base interactions energy: -1191.389
where: short stacking energy: -489.637
Base-Backbone interact. energy: 1.730
local terms energy: -502.183111
where:
bonds (distance) C4'-P energy: -100.785
bonds (distance) P-C4' energy: -99.654
flat angles C4'-P-C4' energy: -111.409
flat angles P-C4'-P energy: -56.392
tors. eta vs tors. theta energy: -133.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1599.897281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.897281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.897281 (E_RNA)
where:
Base-Base interactions energy: -1094.215
where: short stacking energy: -441.637
Base-Backbone interact. energy: -0.810
local terms energy: -504.872430
where:
bonds (distance) C4'-P energy: -106.195
bonds (distance) P-C4' energy: -98.531
flat angles C4'-P-C4' energy: -93.428
flat angles P-C4'-P energy: -75.930
tors. eta vs tors. theta energy: -130.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1505.913701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.913701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.913701 (E_RNA)
where:
Base-Base interactions energy: -1022.286
where: short stacking energy: -395.378
Base-Backbone interact. energy: 1.379
local terms energy: -485.007046
where:
bonds (distance) C4'-P energy: -110.629
bonds (distance) P-C4' energy: -96.095
flat angles C4'-P-C4' energy: -104.088
flat angles P-C4'-P energy: -67.937
tors. eta vs tors. theta energy: -106.258
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: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1444.996693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.996693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.996693 (E_RNA)
where:
Base-Base interactions energy: -1010.036
where: short stacking energy: -419.629
Base-Backbone interact. energy: -1.446
local terms energy: -433.515165
where:
bonds (distance) C4'-P energy: -79.518
bonds (distance) P-C4' energy: -84.148
flat angles C4'-P-C4' energy: -94.778
flat angles P-C4'-P energy: -65.754
tors. eta vs tors. theta energy: -109.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1373.365743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.365743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.365743 (E_RNA)
where:
Base-Base interactions energy: -937.123
where: short stacking energy: -400.316
Base-Backbone interact. energy: -1.554
local terms energy: -434.688847
where:
bonds (distance) C4'-P energy: -102.052
bonds (distance) P-C4' energy: -87.481
flat angles C4'-P-C4' energy: -93.792
flat angles P-C4'-P energy: -52.212
tors. eta vs tors. theta energy: -99.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1234.940447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.940447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.940447 (E_RNA)
where:
Base-Base interactions energy: -835.897
where: short stacking energy: -340.310
Base-Backbone interact. energy: -2.143
local terms energy: -396.900619
where:
bonds (distance) C4'-P energy: -92.220
bonds (distance) P-C4' energy: -76.692
flat angles C4'-P-C4' energy: -95.417
flat angles P-C4'-P energy: -59.181
tors. eta vs tors. theta energy: -73.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1104.147331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.147331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.147331 (E_RNA)
where:
Base-Base interactions energy: -741.562
where: short stacking energy: -334.301
Base-Backbone interact. energy: -1.073
local terms energy: -361.512290
where:
bonds (distance) C4'-P energy: -82.338
bonds (distance) P-C4' energy: -84.196
flat angles C4'-P-C4' energy: -86.070
flat angles P-C4'-P energy: -48.472
tors. eta vs tors. theta energy: -60.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1887.365137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.365137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.365137 (E_RNA)
where:
Base-Base interactions energy: -1320.667
where: short stacking energy: -541.952
Base-Backbone interact. energy: -1.354
local terms energy: -565.344329
where:
bonds (distance) C4'-P energy: -92.891
bonds (distance) P-C4' energy: -114.657
flat angles C4'-P-C4' energy: -128.125
flat angles P-C4'-P energy: -79.574
tors. eta vs tors. theta energy: -150.098
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: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1815.650717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.650717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.650717 (E_RNA)
where:
Base-Base interactions energy: -1262.228
where: short stacking energy: -510.025
Base-Backbone interact. energy: -0.347
local terms energy: -553.075007
where:
bonds (distance) C4'-P energy: -107.417
bonds (distance) P-C4' energy: -96.629
flat angles C4'-P-C4' energy: -117.774
flat angles P-C4'-P energy: -79.360
tors. eta vs tors. theta energy: -151.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1734.552790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.552790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.552790 (E_RNA)
where:
Base-Base interactions energy: -1190.085
where: short stacking energy: -513.855
Base-Backbone interact. energy: 0.115
local terms energy: -544.582488
where:
bonds (distance) C4'-P energy: -90.426
bonds (distance) P-C4' energy: -106.796
flat angles C4'-P-C4' energy: -120.200
flat angles P-C4'-P energy: -74.525
tors. eta vs tors. theta energy: -152.636
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: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1676.348627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.348627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.348627 (E_RNA)
where:
Base-Base interactions energy: -1161.720
where: short stacking energy: -492.273
Base-Backbone interact. energy: -2.380
local terms energy: -512.248584
where:
bonds (distance) C4'-P energy: -100.138
bonds (distance) P-C4' energy: -104.939
flat angles C4'-P-C4' energy: -112.617
flat angles P-C4'-P energy: -64.396
tors. eta vs tors. theta energy: -130.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1590.007693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.007693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.007693 (E_RNA)
where:
Base-Base interactions energy: -1083.396
where: short stacking energy: -423.038
Base-Backbone interact. energy: -3.064
local terms energy: -503.547809
where:
bonds (distance) C4'-P energy: -106.377
bonds (distance) P-C4' energy: -102.888
flat angles C4'-P-C4' energy: -105.219
flat angles P-C4'-P energy: -74.503
tors. eta vs tors. theta energy: -114.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1457.412048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.412048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.412048 (E_RNA)
where:
Base-Base interactions energy: -991.100
where: short stacking energy: -416.082
Base-Backbone interact. energy: 2.454
local terms energy: -468.766135
where:
bonds (distance) C4'-P energy: -89.560
bonds (distance) P-C4' energy: -90.526
flat angles C4'-P-C4' energy: -111.440
flat angles P-C4'-P energy: -63.033
tors. eta vs tors. theta energy: -114.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -1404.085043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.085043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.085043 (E_RNA)
where:
Base-Base interactions energy: -957.552
where: short stacking energy: -384.477
Base-Backbone interact. energy: -1.956
local terms energy: -444.576578
where:
bonds (distance) C4'-P energy: -87.237
bonds (distance) P-C4' energy: -96.527
flat angles C4'-P-C4' energy: -89.314
flat angles P-C4'-P energy: -79.367
tors. eta vs tors. theta energy: -92.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1339.547030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.547030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.547030 (E_RNA)
where:
Base-Base interactions energy: -948.509
where: short stacking energy: -376.562
Base-Backbone interact. energy: 2.638
local terms energy: -393.675772
where:
bonds (distance) C4'-P energy: -86.717
bonds (distance) P-C4' energy: -86.329
flat angles C4'-P-C4' energy: -93.735
flat angles P-C4'-P energy: -57.348
tors. eta vs tors. theta energy: -69.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1256.074576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.074576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.074576 (E_RNA)
where:
Base-Base interactions energy: -865.555
where: short stacking energy: -347.630
Base-Backbone interact. energy: -4.305
local terms energy: -386.214917
where:
bonds (distance) C4'-P energy: -76.821
bonds (distance) P-C4' energy: -73.147
flat angles C4'-P-C4' energy: -97.498
flat angles P-C4'-P energy: -50.072
tors. eta vs tors. theta energy: -88.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -1106.942789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.942789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.942789 (E_RNA)
where:
Base-Base interactions energy: -721.632
where: short stacking energy: -308.161
Base-Backbone interact. energy: -3.448
local terms energy: -381.862669
where:
bonds (distance) C4'-P energy: -79.749
bonds (distance) P-C4' energy: -84.597
flat angles C4'-P-C4' energy: -95.114
flat angles P-C4'-P energy: -66.390
tors. eta vs tors. theta energy: -56.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1872.857800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.857800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.857800 (E_RNA)
where:
Base-Base interactions energy: -1286.394
where: short stacking energy: -558.009
Base-Backbone interact. energy: -0.170
local terms energy: -586.293895
where:
bonds (distance) C4'-P energy: -103.610
bonds (distance) P-C4' energy: -111.105
flat angles C4'-P-C4' energy: -125.356
flat angles P-C4'-P energy: -78.158
tors. eta vs tors. theta energy: -168.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1814.516381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.516381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.516381 (E_RNA)
where:
Base-Base interactions energy: -1265.736
where: short stacking energy: -517.774
Base-Backbone interact. energy: -3.248
local terms energy: -545.532367
where:
bonds (distance) C4'-P energy: -102.338
bonds (distance) P-C4' energy: -97.360
flat angles C4'-P-C4' energy: -119.312
flat angles P-C4'-P energy: -77.063
tors. eta vs tors. theta energy: -149.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1759.585326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.585326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.585326 (E_RNA)
where:
Base-Base interactions energy: -1210.463
where: short stacking energy: -520.100
Base-Backbone interact. energy: -5.427
local terms energy: -543.695089
where:
bonds (distance) C4'-P energy: -85.257
bonds (distance) P-C4' energy: -116.191
flat angles C4'-P-C4' energy: -115.891
flat angles P-C4'-P energy: -76.311
tors. eta vs tors. theta energy: -150.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1658.655094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.655094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.655094 (E_RNA)
where:
Base-Base interactions energy: -1139.652
where: short stacking energy: -483.205
Base-Backbone interact. energy: -1.359
local terms energy: -517.644584
where:
bonds (distance) C4'-P energy: -92.005
bonds (distance) P-C4' energy: -101.375
flat angles C4'-P-C4' energy: -104.890
flat angles P-C4'-P energy: -79.717
tors. eta vs tors. theta energy: -139.658
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: 11
Temperature: 1.100000
Total energy: -1552.443265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.443265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.443265 (E_RNA)
where:
Base-Base interactions energy: -1056.830
where: short stacking energy: -430.371
Base-Backbone interact. energy: -0.773
local terms energy: -494.840444
where:
bonds (distance) C4'-P energy: -86.794
bonds (distance) P-C4' energy: -91.449
flat angles C4'-P-C4' energy: -108.275
flat angles P-C4'-P energy: -77.324
tors. eta vs tors. theta energy: -130.999
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: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1512.622844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.622844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.622844 (E_RNA)
where:
Base-Base interactions energy: -1026.320
where: short stacking energy: -441.207
Base-Backbone interact. energy: -0.901
local terms energy: -485.401847
where:
bonds (distance) C4'-P energy: -98.256
bonds (distance) P-C4' energy: -100.186
flat angles C4'-P-C4' energy: -94.519
flat angles P-C4'-P energy: -73.127
tors. eta vs tors. theta energy: -119.314
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: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1420.394401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.394401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.394401 (E_RNA)
where:
Base-Base interactions energy: -957.186
where: short stacking energy: -386.824
Base-Backbone interact. energy: -2.359
local terms energy: -460.849787
where:
bonds (distance) C4'-P energy: -90.327
bonds (distance) P-C4' energy: -95.498
flat angles C4'-P-C4' energy: -100.978
flat angles P-C4'-P energy: -72.091
tors. eta vs tors. theta energy: -101.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -1407.821200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.821200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.821200 (E_RNA)
where:
Base-Base interactions energy: -945.222
where: short stacking energy: -393.141
Base-Backbone interact. energy: -2.176
local terms energy: -460.423094
where:
bonds (distance) C4'-P energy: -107.869
bonds (distance) P-C4' energy: -88.229
flat angles C4'-P-C4' energy: -115.162
flat angles P-C4'-P energy: -43.907
tors. eta vs tors. theta energy: -105.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1185.669186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.669186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.669186 (E_RNA)
where:
Base-Base interactions energy: -800.880
where: short stacking energy: -321.932
Base-Backbone interact. energy: -2.910
local terms energy: -381.879232
where:
bonds (distance) C4'-P energy: -78.638
bonds (distance) P-C4' energy: -90.598
flat angles C4'-P-C4' energy: -76.321
flat angles P-C4'-P energy: -66.438
tors. eta vs tors. theta energy: -69.885
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: 11
Temperature: 1.350000
Total energy: -1056.849023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.849023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.849023 (E_RNA)
where:
Base-Base interactions energy: -712.780
where: short stacking energy: -289.332
Base-Backbone interact. energy: -1.036
local terms energy: -343.032365
where:
bonds (distance) C4'-P energy: -73.761
bonds (distance) P-C4' energy: -74.041
flat angles C4'-P-C4' energy: -87.991
flat angles P-C4'-P energy: -50.993
tors. eta vs tors. theta energy: -56.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1852.225582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.225582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.225582 (E_RNA)
where:
Base-Base interactions energy: -1269.099
where: short stacking energy: -532.359
Base-Backbone interact. energy: -0.060
local terms energy: -583.067229
where:
bonds (distance) C4'-P energy: -103.148
bonds (distance) P-C4' energy: -113.014
flat angles C4'-P-C4' energy: -126.480
flat angles P-C4'-P energy: -81.010
tors. eta vs tors. theta energy: -159.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1801.590318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.590318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.590318 (E_RNA)
where:
Base-Base interactions energy: -1245.961
where: short stacking energy: -513.342
Base-Backbone interact. energy: -3.941
local terms energy: -551.688499
where:
bonds (distance) C4'-P energy: -108.473
bonds (distance) P-C4' energy: -107.194
flat angles C4'-P-C4' energy: -119.462
flat angles P-C4'-P energy: -66.415
tors. eta vs tors. theta energy: -150.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1786.527375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.527375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.527375 (E_RNA)
where:
Base-Base interactions energy: -1250.066
where: short stacking energy: -497.938
Base-Backbone interact. energy: -0.152
local terms energy: -536.309224
where:
bonds (distance) C4'-P energy: -99.983
bonds (distance) P-C4' energy: -98.555
flat angles C4'-P-C4' energy: -119.651
flat angles P-C4'-P energy: -73.267
tors. eta vs tors. theta energy: -144.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1658.722099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.722099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.722099 (E_RNA)
where:
Base-Base interactions energy: -1129.245
where: short stacking energy: -470.042
Base-Backbone interact. energy: 1.491
local terms energy: -530.967500
where:
bonds (distance) C4'-P energy: -108.159
bonds (distance) P-C4' energy: -103.159
flat angles C4'-P-C4' energy: -108.052
flat angles P-C4'-P energy: -72.834
tors. eta vs tors. theta energy: -138.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1559.078928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.078928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.078928 (E_RNA)
where:
Base-Base interactions energy: -1087.344
where: short stacking energy: -435.091
Base-Backbone interact. energy: -4.563
local terms energy: -467.172548
where:
bonds (distance) C4'-P energy: -102.393
bonds (distance) P-C4' energy: -103.782
flat angles C4'-P-C4' energy: -94.176
flat angles P-C4'-P energy: -59.012
tors. eta vs tors. theta energy: -107.810
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: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1489.985413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.985413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.985413 (E_RNA)
where:
Base-Base interactions energy: -1015.051
where: short stacking energy: -395.726
Base-Backbone interact. energy: -2.746
local terms energy: -472.187494
where:
bonds (distance) C4'-P energy: -105.836
bonds (distance) P-C4' energy: -93.013
flat angles C4'-P-C4' energy: -96.695
flat angles P-C4'-P energy: -73.822
tors. eta vs tors. theta energy: -102.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1452.651089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.651089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.651089 (E_RNA)
where:
Base-Base interactions energy: -1003.428
where: short stacking energy: -395.479
Base-Backbone interact. energy: -1.301
local terms energy: -447.922495
where:
bonds (distance) C4'-P energy: -91.974
bonds (distance) P-C4' energy: -90.116
flat angles C4'-P-C4' energy: -100.431
flat angles P-C4'-P energy: -58.619
tors. eta vs tors. theta energy: -106.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1388.257422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.257422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.257422 (E_RNA)
where:
Base-Base interactions energy: -945.361
where: short stacking energy: -393.187
Base-Backbone interact. energy: -3.129
local terms energy: -439.768178
where:
bonds (distance) C4'-P energy: -81.428
bonds (distance) P-C4' energy: -93.186
flat angles C4'-P-C4' energy: -100.340
flat angles P-C4'-P energy: -63.530
tors. eta vs tors. theta energy: -101.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1223.351976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.351976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.351976 (E_RNA)
where:
Base-Base interactions energy: -819.171
where: short stacking energy: -330.440
Base-Backbone interact. energy: -1.608
local terms energy: -402.573751
where:
bonds (distance) C4'-P energy: -92.257
bonds (distance) P-C4' energy: -70.407
flat angles C4'-P-C4' energy: -101.852
flat angles P-C4'-P energy: -56.869
tors. eta vs tors. theta energy: -81.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -1070.966467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.966467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.966467 (E_RNA)
where:
Base-Base interactions energy: -686.088
where: short stacking energy: -294.451
Base-Backbone interact. energy: 0.193
local terms energy: -385.070942
where:
bonds (distance) C4'-P energy: -87.346
bonds (distance) P-C4' energy: -73.123
flat angles C4'-P-C4' energy: -88.051
flat angles P-C4'-P energy: -71.139
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: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1853.706376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.706376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.706376 (E_RNA)
where:
Base-Base interactions energy: -1274.266
where: short stacking energy: -517.268
Base-Backbone interact. energy: -5.662
local terms energy: -573.778789
where:
bonds (distance) C4'-P energy: -111.520
bonds (distance) P-C4' energy: -92.791
flat angles C4'-P-C4' energy: -132.999
flat angles P-C4'-P energy: -89.925
tors. eta vs tors. theta energy: -146.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1848.205564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.205564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.205564 (E_RNA)
where:
Base-Base interactions energy: -1287.818
where: short stacking energy: -530.226
Base-Backbone interact. energy: -2.456
local terms energy: -557.932001
where:
bonds (distance) C4'-P energy: -105.969
bonds (distance) P-C4' energy: -121.504
flat angles C4'-P-C4' energy: -108.414
flat angles P-C4'-P energy: -74.771
tors. eta vs tors. theta energy: -147.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1772.554754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.554754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.554754 (E_RNA)
where:
Base-Base interactions energy: -1217.069
where: short stacking energy: -506.370
Base-Backbone interact. energy: -2.330
local terms energy: -553.155103
where:
bonds (distance) C4'-P energy: -101.386
bonds (distance) P-C4' energy: -116.184
flat angles C4'-P-C4' energy: -111.774
flat angles P-C4'-P energy: -76.605
tors. eta vs tors. theta energy: -147.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1687.050159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.050159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.050159 (E_RNA)
where:
Base-Base interactions energy: -1147.901
where: short stacking energy: -478.957
Base-Backbone interact. energy: -3.778
local terms energy: -535.371449
where:
bonds (distance) C4'-P energy: -99.284
bonds (distance) P-C4' energy: -99.410
flat angles C4'-P-C4' energy: -118.298
flat angles P-C4'-P energy: -81.625
tors. eta vs tors. theta energy: -136.754
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: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1579.777436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.777436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.777436 (E_RNA)
where:
Base-Base interactions energy: -1069.183
where: short stacking energy: -440.919
Base-Backbone interact. energy: -1.034
local terms energy: -509.560470
where:
bonds (distance) C4'-P energy: -105.981
bonds (distance) P-C4' energy: -93.716
flat angles C4'-P-C4' energy: -109.341
flat angles P-C4'-P energy: -74.109
tors. eta vs tors. theta energy: -126.413
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: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1517.340495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.340495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.340495 (E_RNA)
where:
Base-Base interactions energy: -1032.820
where: short stacking energy: -431.139
Base-Backbone interact. energy: -0.739
local terms energy: -483.781917
where:
bonds (distance) C4'-P energy: -95.437
bonds (distance) P-C4' energy: -97.683
flat angles C4'-P-C4' energy: -102.582
flat angles P-C4'-P energy: -71.483
tors. eta vs tors. theta energy: -116.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1460.003398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.003398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.003398 (E_RNA)
where:
Base-Base interactions energy: -984.983
where: short stacking energy: -393.910
Base-Backbone interact. energy: -3.342
local terms energy: -471.678477
where:
bonds (distance) C4'-P energy: -93.394
bonds (distance) P-C4' energy: -90.491
flat angles C4'-P-C4' energy: -111.295
flat angles P-C4'-P energy: -74.693
tors. eta vs tors. theta energy: -101.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1371.027461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.027461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.027461 (E_RNA)
where:
Base-Base interactions energy: -948.254
where: short stacking energy: -383.104
Base-Backbone interact. energy: -2.730
local terms energy: -420.043476
where:
bonds (distance) C4'-P energy: -75.692
bonds (distance) P-C4' energy: -86.073
flat angles C4'-P-C4' energy: -95.761
flat angles P-C4'-P energy: -63.586
tors. eta vs tors. theta energy: -98.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1173.817475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.817475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.817475 (E_RNA)
where:
Base-Base interactions energy: -777.407
where: short stacking energy: -315.606
Base-Backbone interact. energy: -0.023
local terms energy: -396.388052
where:
bonds (distance) C4'-P energy: -79.041
bonds (distance) P-C4' energy: -97.332
flat angles C4'-P-C4' energy: -86.254
flat angles P-C4'-P energy: -62.187
tors. eta vs tors. theta energy: -71.574
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: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -1048.917010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.917010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.917010 (E_RNA)
where:
Base-Base interactions energy: -675.682
where: short stacking energy: -299.852
Base-Backbone interact. energy: 0.720
local terms energy: -373.955099
where:
bonds (distance) C4'-P energy: -78.504
bonds (distance) P-C4' energy: -84.895
flat angles C4'-P-C4' energy: -85.026
flat angles P-C4'-P energy: -61.820
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: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1890.801993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.801993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.801993 (E_RNA)
where:
Base-Base interactions energy: -1313.068
where: short stacking energy: -557.707
Base-Backbone interact. energy: -3.216
local terms energy: -574.518264
where:
bonds (distance) C4'-P energy: -108.566
bonds (distance) P-C4' energy: -112.329
flat angles C4'-P-C4' energy: -121.181
flat angles P-C4'-P energy: -75.543
tors. eta vs tors. theta energy: -156.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1860.018498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.018498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.018498 (E_RNA)
where:
Base-Base interactions energy: -1288.375
where: short stacking energy: -549.749
Base-Backbone interact. energy: -1.439
local terms energy: -570.205266
where:
bonds (distance) C4'-P energy: -116.881
bonds (distance) P-C4' energy: -103.336
flat angles C4'-P-C4' energy: -122.777
flat angles P-C4'-P energy: -71.540
tors. eta vs tors. theta energy: -155.672
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: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1731.109800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.109800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.109800 (E_RNA)
where:
Base-Base interactions energy: -1176.377
where: short stacking energy: -498.237
Base-Backbone interact. energy: -3.906
local terms energy: -550.826401
where:
bonds (distance) C4'-P energy: -99.487
bonds (distance) P-C4' energy: -114.963
flat angles C4'-P-C4' energy: -118.923
flat angles P-C4'-P energy: -70.882
tors. eta vs tors. theta energy: -146.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1697.034886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.034886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.034886 (E_RNA)
where:
Base-Base interactions energy: -1158.683
where: short stacking energy: -478.578
Base-Backbone interact. energy: -4.053
local terms energy: -534.299604
where:
bonds (distance) C4'-P energy: -100.353
bonds (distance) P-C4' energy: -112.901
flat angles C4'-P-C4' energy: -115.377
flat angles P-C4'-P energy: -61.589
tors. eta vs tors. theta energy: -144.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1582.935054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.935054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.935054 (E_RNA)
where:
Base-Base interactions energy: -1089.543
where: short stacking energy: -461.948
Base-Backbone interact. energy: -3.003
local terms energy: -490.389058
where:
bonds (distance) C4'-P energy: -95.964
bonds (distance) P-C4' energy: -95.439
flat angles C4'-P-C4' energy: -102.632
flat angles P-C4'-P energy: -62.583
tors. eta vs tors. theta energy: -133.771
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: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1502.224661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.224661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.224661 (E_RNA)
where:
Base-Base interactions energy: -1002.154
where: short stacking energy: -430.372
Base-Backbone interact. energy: 0.980
local terms energy: -501.050582
where:
bonds (distance) C4'-P energy: -94.823
bonds (distance) P-C4' energy: -102.324
flat angles C4'-P-C4' energy: -112.339
flat angles P-C4'-P energy: -67.105
tors. eta vs tors. theta energy: -124.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1413.261975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.261975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.261975 (E_RNA)
where:
Base-Base interactions energy: -943.618
where: short stacking energy: -397.091
Base-Backbone interact. energy: 3.146
local terms energy: -472.789555
where:
bonds (distance) C4'-P energy: -103.830
bonds (distance) P-C4' energy: -95.405
flat angles C4'-P-C4' energy: -106.782
flat angles P-C4'-P energy: -64.012
tors. eta vs tors. theta energy: -102.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1384.581404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.581404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.581404 (E_RNA)
where:
Base-Base interactions energy: -963.609
where: short stacking energy: -390.198
Base-Backbone interact. energy: 0.599
local terms energy: -421.571301
where:
bonds (distance) C4'-P energy: -77.348
bonds (distance) P-C4' energy: -78.850
flat angles C4'-P-C4' energy: -102.881
flat angles P-C4'-P energy: -71.666
tors. eta vs tors. theta energy: -90.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1177.061658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.061658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.061658 (E_RNA)
where:
Base-Base interactions energy: -766.202
where: short stacking energy: -303.384
Base-Backbone interact. energy: 4.455
local terms energy: -415.314025
where:
bonds (distance) C4'-P energy: -95.171
bonds (distance) P-C4' energy: -96.599
flat angles C4'-P-C4' energy: -94.153
flat angles P-C4'-P energy: -55.337
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: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -1075.006054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.006054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.006054 (E_RNA)
where:
Base-Base interactions energy: -730.842
where: short stacking energy: -335.187
Base-Backbone interact. energy: -1.456
local terms energy: -342.707506
where:
bonds (distance) C4'-P energy: -83.232
bonds (distance) P-C4' energy: -65.054
flat angles C4'-P-C4' energy: -72.588
flat angles P-C4'-P energy: -53.361
tors. eta vs tors. theta energy: -68.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1896.339223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.339223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.339223 (E_RNA)
where:
Base-Base interactions energy: -1327.319
where: short stacking energy: -536.708
Base-Backbone interact. energy: -3.132
local terms energy: -565.887870
where:
bonds (distance) C4'-P energy: -101.587
bonds (distance) P-C4' energy: -112.723
flat angles C4'-P-C4' energy: -116.600
flat angles P-C4'-P energy: -81.123
tors. eta vs tors. theta energy: -153.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1813.275308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.275308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.275308 (E_RNA)
where:
Base-Base interactions energy: -1246.702
where: short stacking energy: -534.644
Base-Backbone interact. energy: -0.818
local terms energy: -565.755842
where:
bonds (distance) C4'-P energy: -104.176
bonds (distance) P-C4' energy: -107.542
flat angles C4'-P-C4' energy: -119.665
flat angles P-C4'-P energy: -74.543
tors. eta vs tors. theta energy: -159.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1687.899511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.899511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.899511 (E_RNA)
where:
Base-Base interactions energy: -1156.308
where: short stacking energy: -478.800
Base-Backbone interact. energy: 0.592
local terms energy: -532.184064
where:
bonds (distance) C4'-P energy: -99.260
bonds (distance) P-C4' energy: -106.765
flat angles C4'-P-C4' energy: -111.775
flat angles P-C4'-P energy: -74.185
tors. eta vs tors. theta energy: -140.199
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: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1697.957582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.957582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.957582 (E_RNA)
where:
Base-Base interactions energy: -1189.401
where: short stacking energy: -494.963
Base-Backbone interact. energy: -2.268
local terms energy: -506.288553
where:
bonds (distance) C4'-P energy: -97.915
bonds (distance) P-C4' energy: -102.537
flat angles C4'-P-C4' energy: -108.755
flat angles P-C4'-P energy: -59.859
tors. eta vs tors. theta energy: -137.221
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: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1577.393900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.393900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.393900 (E_RNA)
where:
Base-Base interactions energy: -1068.464
where: short stacking energy: -469.959
Base-Backbone interact. energy: 0.692
local terms energy: -509.621373
where:
bonds (distance) C4'-P energy: -102.291
bonds (distance) P-C4' energy: -89.203
flat angles C4'-P-C4' energy: -104.403
flat angles P-C4'-P energy: -79.029
tors. eta vs tors. theta energy: -134.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1496.997891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.997891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.997891 (E_RNA)
where:
Base-Base interactions energy: -983.358
where: short stacking energy: -442.675
Base-Backbone interact. energy: -0.598
local terms energy: -513.041893
where:
bonds (distance) C4'-P energy: -94.572
bonds (distance) P-C4' energy: -106.211
flat angles C4'-P-C4' energy: -106.617
flat angles P-C4'-P energy: -80.828
tors. eta vs tors. theta energy: -124.815
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: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1379.442082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.442082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.442082 (E_RNA)
where:
Base-Base interactions energy: -937.400
where: short stacking energy: -391.096
Base-Backbone interact. energy: 2.013
local terms energy: -444.054581
where:
bonds (distance) C4'-P energy: -85.778
bonds (distance) P-C4' energy: -97.291
flat angles C4'-P-C4' energy: -92.978
flat angles P-C4'-P energy: -69.385
tors. eta vs tors. theta energy: -98.622
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: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1375.078088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.078088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.078088 (E_RNA)
where:
Base-Base interactions energy: -947.618
where: short stacking energy: -388.360
Base-Backbone interact. energy: -0.599
local terms energy: -426.860554
where:
bonds (distance) C4'-P energy: -91.099
bonds (distance) P-C4' energy: -89.956
flat angles C4'-P-C4' energy: -107.147
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -97.705
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: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1115.490287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.490287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.490287 (E_RNA)
where:
Base-Base interactions energy: -757.512
where: short stacking energy: -302.015
Base-Backbone interact. energy: -0.932
local terms energy: -357.045689
where:
bonds (distance) C4'-P energy: -60.413
bonds (distance) P-C4' energy: -90.609
flat angles C4'-P-C4' energy: -92.320
flat angles P-C4'-P energy: -62.009
tors. eta vs tors. theta energy: -51.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -1076.533753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.533753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.533753 (E_RNA)
where:
Base-Base interactions energy: -710.778
where: short stacking energy: -284.318
Base-Backbone interact. energy: -0.385
local terms energy: -365.370454
where:
bonds (distance) C4'-P energy: -73.662
bonds (distance) P-C4' energy: -89.065
flat angles C4'-P-C4' energy: -87.789
flat angles P-C4'-P energy: -50.441
tors. eta vs tors. theta energy: -64.413
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: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1875.962950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.962950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.962950 (E_RNA)
where:
Base-Base interactions energy: -1298.278
where: short stacking energy: -532.385
Base-Backbone interact. energy: -6.080
local terms energy: -571.605334
where:
bonds (distance) C4'-P energy: -114.265
bonds (distance) P-C4' energy: -114.467
flat angles C4'-P-C4' energy: -123.365
flat angles P-C4'-P energy: -68.497
tors. eta vs tors. theta energy: -151.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1829.917896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.917896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.917896 (E_RNA)
where:
Base-Base interactions energy: -1268.111
where: short stacking energy: -537.471
Base-Backbone interact. energy: -0.949
local terms energy: -560.858063
where:
bonds (distance) C4'-P energy: -100.839
bonds (distance) P-C4' energy: -114.218
flat angles C4'-P-C4' energy: -129.933
flat angles P-C4'-P energy: -62.920
tors. eta vs tors. theta energy: -152.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1697.933721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.933721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.933721 (E_RNA)
where:
Base-Base interactions energy: -1166.186
where: short stacking energy: -487.296
Base-Backbone interact. energy: -2.869
local terms energy: -528.879146
where:
bonds (distance) C4'-P energy: -106.039
bonds (distance) P-C4' energy: -104.619
flat angles C4'-P-C4' energy: -104.820
flat angles P-C4'-P energy: -82.564
tors. eta vs tors. theta energy: -130.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1588.338063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.338063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.338063 (E_RNA)
where:
Base-Base interactions energy: -1077.872
where: short stacking energy: -456.095
Base-Backbone interact. energy: 0.189
local terms energy: -510.654292
where:
bonds (distance) C4'-P energy: -85.742
bonds (distance) P-C4' energy: -105.938
flat angles C4'-P-C4' energy: -110.003
flat angles P-C4'-P energy: -85.788
tors. eta vs tors. theta energy: -123.184
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: 5, replica: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1554.438715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.438715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.438715 (E_RNA)
where:
Base-Base interactions energy: -1034.450
where: short stacking energy: -461.269
Base-Backbone interact. energy: -2.379
local terms energy: -517.609914
where:
bonds (distance) C4'-P energy: -96.768
bonds (distance) P-C4' energy: -115.816
flat angles C4'-P-C4' energy: -103.291
flat angles P-C4'-P energy: -69.356
tors. eta vs tors. theta energy: -132.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1457.819867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.819867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.819867 (E_RNA)
where:
Base-Base interactions energy: -1006.823
where: short stacking energy: -397.861
Base-Backbone interact. energy: -3.664
local terms energy: -447.333100
where:
bonds (distance) C4'-P energy: -97.170
bonds (distance) P-C4' energy: -97.196
flat angles C4'-P-C4' energy: -100.849
flat angles P-C4'-P energy: -56.402
tors. eta vs tors. theta energy: -95.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1461.106188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.106188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.106188 (E_RNA)
where:
Base-Base interactions energy: -1001.072
where: short stacking energy: -413.911
Base-Backbone interact. energy: -3.905
local terms energy: -456.128507
where:
bonds (distance) C4'-P energy: -88.972
bonds (distance) P-C4' energy: -86.588
flat angles C4'-P-C4' energy: -108.140
flat angles P-C4'-P energy: -63.702
tors. eta vs tors. theta energy: -108.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1369.234136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.234136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.234136 (E_RNA)
where:
Base-Base interactions energy: -911.574
where: short stacking energy: -381.084
Base-Backbone interact. energy: 0.127
local terms energy: -457.787286
where:
bonds (distance) C4'-P energy: -97.355
bonds (distance) P-C4' energy: -94.069
flat angles C4'-P-C4' energy: -98.508
flat angles P-C4'-P energy: -75.995
tors. eta vs tors. theta energy: -91.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1168.769465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.769465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.769465 (E_RNA)
where:
Base-Base interactions energy: -785.782
where: short stacking energy: -328.783
Base-Backbone interact. energy: -1.140
local terms energy: -381.846750
where:
bonds (distance) C4'-P energy: -90.375
bonds (distance) P-C4' energy: -74.431
flat angles C4'-P-C4' energy: -95.405
flat angles P-C4'-P energy: -61.552
tors. eta vs tors. theta energy: -60.084
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: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -1073.981157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.981157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.981157 (E_RNA)
where:
Base-Base interactions energy: -710.086
where: short stacking energy: -303.717
Base-Backbone interact. energy: -1.043
local terms energy: -362.851601
where:
bonds (distance) C4'-P energy: -78.431
bonds (distance) P-C4' energy: -74.988
flat angles C4'-P-C4' energy: -87.090
flat angles P-C4'-P energy: -51.141
tors. eta vs tors. theta energy: -71.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1844.234096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.234096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.234096 (E_RNA)
where:
Base-Base interactions energy: -1273.592
where: short stacking energy: -524.000
Base-Backbone interact. energy: -3.857
local terms energy: -566.784877
where:
bonds (distance) C4'-P energy: -103.851
bonds (distance) P-C4' energy: -114.121
flat angles C4'-P-C4' energy: -120.152
flat angles P-C4'-P energy: -73.297
tors. eta vs tors. theta energy: -155.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1815.991425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.991425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.991425 (E_RNA)
where:
Base-Base interactions energy: -1279.336
where: short stacking energy: -557.097
Base-Backbone interact. energy: -3.956
local terms energy: -532.699698
where:
bonds (distance) C4'-P energy: -85.575
bonds (distance) P-C4' energy: -101.876
flat angles C4'-P-C4' energy: -115.420
flat angles P-C4'-P energy: -72.470
tors. eta vs tors. theta energy: -157.358
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: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1709.203319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.203319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.203319 (E_RNA)
where:
Base-Base interactions energy: -1173.053
where: short stacking energy: -490.199
Base-Backbone interact. energy: -1.916
local terms energy: -534.233631
where:
bonds (distance) C4'-P energy: -83.662
bonds (distance) P-C4' energy: -106.592
flat angles C4'-P-C4' energy: -118.040
flat angles P-C4'-P energy: -89.347
tors. eta vs tors. theta energy: -136.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1659.731068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.731068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.731068 (E_RNA)
where:
Base-Base interactions energy: -1124.560
where: short stacking energy: -500.878
Base-Backbone interact. energy: -2.711
local terms energy: -532.460258
where:
bonds (distance) C4'-P energy: -89.178
bonds (distance) P-C4' energy: -101.900
flat angles C4'-P-C4' energy: -115.199
flat angles P-C4'-P energy: -87.334
tors. eta vs tors. theta energy: -138.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1546.182345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.182345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.182345 (E_RNA)
where:
Base-Base interactions energy: -1048.471
where: short stacking energy: -448.454
Base-Backbone interact. energy: -0.874
local terms energy: -496.838014
where:
bonds (distance) C4'-P energy: -94.548
bonds (distance) P-C4' energy: -88.806
flat angles C4'-P-C4' energy: -109.586
flat angles P-C4'-P energy: -74.528
tors. eta vs tors. theta energy: -129.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1484.808435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.808435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.808435 (E_RNA)
where:
Base-Base interactions energy: -988.694
where: short stacking energy: -414.838
Base-Backbone interact. energy: -0.896
local terms energy: -495.219003
where:
bonds (distance) C4'-P energy: -85.098
bonds (distance) P-C4' energy: -107.241
flat angles C4'-P-C4' energy: -95.887
flat angles P-C4'-P energy: -79.642
tors. eta vs tors. theta energy: -127.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1422.819822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.819822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.819822 (E_RNA)
where:
Base-Base interactions energy: -1020.895
where: short stacking energy: -402.478
Base-Backbone interact. energy: 1.797
local terms energy: -403.721845
where:
bonds (distance) C4'-P energy: -64.164
bonds (distance) P-C4' energy: -84.647
flat angles C4'-P-C4' energy: -88.974
flat angles P-C4'-P energy: -64.917
tors. eta vs tors. theta energy: -101.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1357.743356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.743356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.743356 (E_RNA)
where:
Base-Base interactions energy: -917.126
where: short stacking energy: -369.796
Base-Backbone interact. energy: -3.329
local terms energy: -437.287804
where:
bonds (distance) C4'-P energy: -93.137
bonds (distance) P-C4' energy: -83.376
flat angles C4'-P-C4' energy: -100.854
flat angles P-C4'-P energy: -66.012
tors. eta vs tors. theta energy: -93.909
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: 17
Temperature: 1.300000
Total energy: -1126.232877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.232877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.232877 (E_RNA)
where:
Base-Base interactions energy: -730.424
where: short stacking energy: -310.837
Base-Backbone interact. energy: -1.626
local terms energy: -394.182589
where:
bonds (distance) C4'-P energy: -72.657
bonds (distance) P-C4' energy: -91.938
flat angles C4'-P-C4' energy: -94.521
flat angles P-C4'-P energy: -69.095
tors. eta vs tors. theta energy: -65.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -988.409599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.409599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.409599 (E_RNA)
where:
Base-Base interactions energy: -641.988
where: short stacking energy: -281.403
Base-Backbone interact. energy: 0.064
local terms energy: -346.485157
where:
bonds (distance) C4'-P energy: -93.909
bonds (distance) P-C4' energy: -80.717
flat angles C4'-P-C4' energy: -56.894
flat angles P-C4'-P energy: -63.793
tors. eta vs tors. theta energy: -51.171
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: 18
Temperature: 0.900000
Total energy: -1864.536889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.536889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.536889 (E_RNA)
where:
Base-Base interactions energy: -1275.176
where: short stacking energy: -554.648
Base-Backbone interact. energy: -1.435
local terms energy: -587.926212
where:
bonds (distance) C4'-P energy: -102.511
bonds (distance) P-C4' energy: -117.903
flat angles C4'-P-C4' energy: -120.772
flat angles P-C4'-P energy: -85.421
tors. eta vs tors. theta energy: -161.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1809.086880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.086880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.086880 (E_RNA)
where:
Base-Base interactions energy: -1246.846
where: short stacking energy: -511.003
Base-Backbone interact. energy: -0.685
local terms energy: -561.555640
where:
bonds (distance) C4'-P energy: -99.536
bonds (distance) P-C4' energy: -106.268
flat angles C4'-P-C4' energy: -125.967
flat angles P-C4'-P energy: -81.032
tors. eta vs tors. theta energy: -148.753
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: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1730.510398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.510398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.510398 (E_RNA)
where:
Base-Base interactions energy: -1165.754
where: short stacking energy: -475.576
Base-Backbone interact. energy: -4.210
local terms energy: -560.546587
where:
bonds (distance) C4'-P energy: -102.747
bonds (distance) P-C4' energy: -118.440
flat angles C4'-P-C4' energy: -116.094
flat angles P-C4'-P energy: -78.933
tors. eta vs tors. theta energy: -144.333
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: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1613.183716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.183716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.183716 (E_RNA)
where:
Base-Base interactions energy: -1079.085
where: short stacking energy: -456.203
Base-Backbone interact. energy: -4.229
local terms energy: -529.869903
where:
bonds (distance) C4'-P energy: -110.177
bonds (distance) P-C4' energy: -100.639
flat angles C4'-P-C4' energy: -108.049
flat angles P-C4'-P energy: -81.140
tors. eta vs tors. theta energy: -129.865
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: 5, replica: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1558.770126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.770126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.770126 (E_RNA)
where:
Base-Base interactions energy: -1072.765
where: short stacking energy: -436.995
Base-Backbone interact. energy: 7.540
local terms energy: -493.544801
where:
bonds (distance) C4'-P energy: -87.883
bonds (distance) P-C4' energy: -105.573
flat angles C4'-P-C4' energy: -101.871
flat angles P-C4'-P energy: -76.839
tors. eta vs tors. theta energy: -121.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1527.865623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.865623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.865623 (E_RNA)
where:
Base-Base interactions energy: -1047.209
where: short stacking energy: -462.858
Base-Backbone interact. energy: -1.216
local terms energy: -479.440864
where:
bonds (distance) C4'-P energy: -92.987
bonds (distance) P-C4' energy: -86.329
flat angles C4'-P-C4' energy: -107.032
flat angles P-C4'-P energy: -63.865
tors. eta vs tors. theta energy: -129.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1334.334991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.334991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.334991 (E_RNA)
where:
Base-Base interactions energy: -909.285
where: short stacking energy: -377.894
Base-Backbone interact. energy: 0.023
local terms energy: -425.073485
where:
bonds (distance) C4'-P energy: -79.453
bonds (distance) P-C4' energy: -84.019
flat angles C4'-P-C4' energy: -104.044
flat angles P-C4'-P energy: -59.441
tors. eta vs tors. theta energy: -98.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1342.394770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.394770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.394770 (E_RNA)
where:
Base-Base interactions energy: -915.399
where: short stacking energy: -359.488
Base-Backbone interact. energy: -0.991
local terms energy: -426.004542
where:
bonds (distance) C4'-P energy: -100.319
bonds (distance) P-C4' energy: -87.541
flat angles C4'-P-C4' energy: -89.697
flat angles P-C4'-P energy: -63.067
tors. eta vs tors. theta energy: -85.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1083.813493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.813493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.813493 (E_RNA)
where:
Base-Base interactions energy: -688.831
where: short stacking energy: -311.346
Base-Backbone interact. energy: -1.229
local terms energy: -393.753787
where:
bonds (distance) C4'-P energy: -87.983
bonds (distance) P-C4' energy: -100.923
flat angles C4'-P-C4' energy: -84.076
flat angles P-C4'-P energy: -57.858
tors. eta vs tors. theta energy: -62.913
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: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -1078.766556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.766556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.766556 (E_RNA)
where:
Base-Base interactions energy: -735.508
where: short stacking energy: -301.009
Base-Backbone interact. energy: -2.282
local terms energy: -340.976691
where:
bonds (distance) C4'-P energy: -81.480
bonds (distance) P-C4' energy: -69.219
flat angles C4'-P-C4' energy: -92.100
flat angles P-C4'-P energy: -52.848
tors. eta vs tors. theta energy: -45.330
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: 19
Temperature: 0.900000
Total energy: -1908.706585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.706585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.706585 (E_RNA)
where:
Base-Base interactions energy: -1311.784
where: short stacking energy: -562.100
Base-Backbone interact. energy: -3.934
local terms energy: -592.988670
where:
bonds (distance) C4'-P energy: -113.729
bonds (distance) P-C4' energy: -110.757
flat angles C4'-P-C4' energy: -126.208
flat angles P-C4'-P energy: -77.193
tors. eta vs tors. theta energy: -165.101
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: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1793.408165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.408165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.408165 (E_RNA)
where:
Base-Base interactions energy: -1256.294
where: short stacking energy: -527.639
Base-Backbone interact. energy: -0.652
local terms energy: -536.462130
where:
bonds (distance) C4'-P energy: -107.871
bonds (distance) P-C4' energy: -104.474
flat angles C4'-P-C4' energy: -112.191
flat angles P-C4'-P energy: -67.920
tors. eta vs tors. theta energy: -144.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1716.099929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.099929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.099929 (E_RNA)
where:
Base-Base interactions energy: -1189.262
where: short stacking energy: -481.387
Base-Backbone interact. energy: -1.725
local terms energy: -525.112781
where:
bonds (distance) C4'-P energy: -100.639
bonds (distance) P-C4' energy: -94.295
flat angles C4'-P-C4' energy: -116.184
flat angles P-C4'-P energy: -81.953
tors. eta vs tors. theta energy: -132.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1600.686574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.686574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.686574 (E_RNA)
where:
Base-Base interactions energy: -1097.273
where: short stacking energy: -459.095
Base-Backbone interact. energy: -0.827
local terms energy: -502.587157
where:
bonds (distance) C4'-P energy: -97.376
bonds (distance) P-C4' energy: -100.965
flat angles C4'-P-C4' energy: -104.841
flat angles P-C4'-P energy: -72.587
tors. eta vs tors. theta energy: -126.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1604.263115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.263115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.263115 (E_RNA)
where:
Base-Base interactions energy: -1112.108
where: short stacking energy: -448.105
Base-Backbone interact. energy: -2.269
local terms energy: -489.886460
where:
bonds (distance) C4'-P energy: -93.409
bonds (distance) P-C4' energy: -98.147
flat angles C4'-P-C4' energy: -113.836
flat angles P-C4'-P energy: -70.360
tors. eta vs tors. theta energy: -114.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1513.471879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.471879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.471879 (E_RNA)
where:
Base-Base interactions energy: -1027.416
where: short stacking energy: -440.370
Base-Backbone interact. energy: 0.334
local terms energy: -486.390075
where:
bonds (distance) C4'-P energy: -88.444
bonds (distance) P-C4' energy: -96.634
flat angles C4'-P-C4' energy: -101.697
flat angles P-C4'-P energy: -74.718
tors. eta vs tors. theta energy: -124.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1423.994128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.994128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.994128 (E_RNA)
where:
Base-Base interactions energy: -968.395
where: short stacking energy: -395.839
Base-Backbone interact. energy: -1.664
local terms energy: -453.934698
where:
bonds (distance) C4'-P energy: -89.813
bonds (distance) P-C4' energy: -98.547
flat angles C4'-P-C4' energy: -114.482
flat angles P-C4'-P energy: -64.216
tors. eta vs tors. theta energy: -86.876
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: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1370.595861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.595861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.595861 (E_RNA)
where:
Base-Base interactions energy: -926.998
where: short stacking energy: -372.966
Base-Backbone interact. energy: -2.323
local terms energy: -441.275588
where:
bonds (distance) C4'-P energy: -74.954
bonds (distance) P-C4' energy: -97.349
flat angles C4'-P-C4' energy: -105.138
flat angles P-C4'-P energy: -66.871
tors. eta vs tors. theta energy: -96.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1130.144590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.144590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.144590 (E_RNA)
where:
Base-Base interactions energy: -705.956
where: short stacking energy: -317.729
Base-Backbone interact. energy: 2.321
local terms energy: -426.508950
where:
bonds (distance) C4'-P energy: -102.328
bonds (distance) P-C4' energy: -92.194
flat angles C4'-P-C4' energy: -98.907
flat angles P-C4'-P energy: -57.772
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: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -1057.205893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.205893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.205893 (E_RNA)
where:
Base-Base interactions energy: -688.556
where: short stacking energy: -298.386
Base-Backbone interact. energy: -2.759
local terms energy: -365.890850
where:
bonds (distance) C4'-P energy: -68.700
bonds (distance) P-C4' energy: -82.499
flat angles C4'-P-C4' energy: -97.030
flat angles P-C4'-P energy: -53.312
tors. eta vs tors. theta energy: -64.349
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: 20
Temperature: 0.900000
Total energy: -1888.620952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.620952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.620952 (E_RNA)
where:
Base-Base interactions energy: -1315.018
where: short stacking energy: -557.170
Base-Backbone interact. energy: -4.878
local terms energy: -568.724525
where:
bonds (distance) C4'-P energy: -104.591
bonds (distance) P-C4' energy: -108.759
flat angles C4'-P-C4' energy: -123.206
flat angles P-C4'-P energy: -71.813
tors. eta vs tors. theta energy: -160.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1813.827680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.827680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.827680 (E_RNA)
where:
Base-Base interactions energy: -1257.794
where: short stacking energy: -522.839
Base-Backbone interact. energy: -0.669
local terms energy: -555.364544
where:
bonds (distance) C4'-P energy: -102.174
bonds (distance) P-C4' energy: -120.259
flat angles C4'-P-C4' energy: -104.119
flat angles P-C4'-P energy: -80.910
tors. eta vs tors. theta energy: -147.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1716.068720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.068720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.068720 (E_RNA)
where:
Base-Base interactions energy: -1195.966
where: short stacking energy: -490.474
Base-Backbone interact. energy: -1.874
local terms energy: -518.228220
where:
bonds (distance) C4'-P energy: -98.226
bonds (distance) P-C4' energy: -107.853
flat angles C4'-P-C4' energy: -114.412
flat angles P-C4'-P energy: -67.701
tors. eta vs tors. theta energy: -130.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1619.626892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.626892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.626892 (E_RNA)
where:
Base-Base interactions energy: -1082.872
where: short stacking energy: -463.389
Base-Backbone interact. energy: -1.644
local terms energy: -535.110527
where:
bonds (distance) C4'-P energy: -109.283
bonds (distance) P-C4' energy: -116.693
flat angles C4'-P-C4' energy: -110.724
flat angles P-C4'-P energy: -70.482
tors. eta vs tors. theta energy: -127.929
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: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1671.295872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.295872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.295872 (E_RNA)
where:
Base-Base interactions energy: -1173.633
where: short stacking energy: -459.534
Base-Backbone interact. energy: -3.307
local terms energy: -494.356166
where:
bonds (distance) C4'-P energy: -95.879
bonds (distance) P-C4' energy: -99.275
flat angles C4'-P-C4' energy: -104.917
flat angles P-C4'-P energy: -66.065
tors. eta vs tors. theta energy: -128.221
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: 20
Temperature: 1.150000
Total energy: -1521.475471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.475471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.475471 (E_RNA)
where:
Base-Base interactions energy: -1047.320
where: short stacking energy: -424.462
Base-Backbone interact. energy: -1.540
local terms energy: -472.615655
where:
bonds (distance) C4'-P energy: -94.380
bonds (distance) P-C4' energy: -83.191
flat angles C4'-P-C4' energy: -106.013
flat angles P-C4'-P energy: -70.080
tors. eta vs tors. theta energy: -118.951
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: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1398.030730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.030730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.030730 (E_RNA)
where:
Base-Base interactions energy: -948.707
where: short stacking energy: -388.637
Base-Backbone interact. energy: -2.089
local terms energy: -447.234691
where:
bonds (distance) C4'-P energy: -96.000
bonds (distance) P-C4' energy: -94.653
flat angles C4'-P-C4' energy: -111.346
flat angles P-C4'-P energy: -49.142
tors. eta vs tors. theta energy: -96.094
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: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1335.122963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.122963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.122963 (E_RNA)
where:
Base-Base interactions energy: -925.126
where: short stacking energy: -376.750
Base-Backbone interact. energy: -3.563
local terms energy: -406.433578
where:
bonds (distance) C4'-P energy: -79.785
bonds (distance) P-C4' energy: -88.512
flat angles C4'-P-C4' energy: -92.180
flat angles P-C4'-P energy: -61.480
tors. eta vs tors. theta energy: -84.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1144.096870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.096870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.096870 (E_RNA)
where:
Base-Base interactions energy: -770.026
where: short stacking energy: -332.682
Base-Backbone interact. energy: 1.552
local terms energy: -375.623044
where:
bonds (distance) C4'-P energy: -98.004
bonds (distance) P-C4' energy: -78.646
flat angles C4'-P-C4' energy: -69.737
flat angles P-C4'-P energy: -60.047
tors. eta vs tors. theta energy: -69.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -1051.892479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.892479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.892479 (E_RNA)
where:
Base-Base interactions energy: -677.418
where: short stacking energy: -286.029
Base-Backbone interact. energy: 2.747
local terms energy: -377.222244
where:
bonds (distance) C4'-P energy: -79.420
bonds (distance) P-C4' energy: -108.578
flat angles C4'-P-C4' energy: -89.624
flat angles P-C4'-P energy: -48.326
tors. eta vs tors. theta energy: -51.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1895.027726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.027726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.027726 (E_RNA)
where:
Base-Base interactions energy: -1317.571
where: short stacking energy: -566.263
Base-Backbone interact. energy: -0.339
local terms energy: -577.117364
where:
bonds (distance) C4'-P energy: -109.340
bonds (distance) P-C4' energy: -93.457
flat angles C4'-P-C4' energy: -118.648
flat angles P-C4'-P energy: -84.503
tors. eta vs tors. theta energy: -171.169
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: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1817.613662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.613662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.613662 (E_RNA)
where:
Base-Base interactions energy: -1282.091
where: short stacking energy: -536.678
Base-Backbone interact. energy: -2.950
local terms energy: -532.572796
where:
bonds (distance) C4'-P energy: -88.736
bonds (distance) P-C4' energy: -89.448
flat angles C4'-P-C4' energy: -113.502
flat angles P-C4'-P energy: -78.383
tors. eta vs tors. theta energy: -162.504
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: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1775.019509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.019509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.019509 (E_RNA)
where:
Base-Base interactions energy: -1237.119
where: short stacking energy: -512.271
Base-Backbone interact. energy: -1.982
local terms energy: -535.918235
where:
bonds (distance) C4'-P energy: -107.318
bonds (distance) P-C4' energy: -96.116
flat angles C4'-P-C4' energy: -108.135
flat angles P-C4'-P energy: -74.336
tors. eta vs tors. theta energy: -150.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1652.799341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.799341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.799341 (E_RNA)
where:
Base-Base interactions energy: -1134.153
where: short stacking energy: -465.733
Base-Backbone interact. energy: -2.155
local terms energy: -516.490875
where:
bonds (distance) C4'-P energy: -97.390
bonds (distance) P-C4' energy: -90.394
flat angles C4'-P-C4' energy: -110.631
flat angles P-C4'-P energy: -97.813
tors. eta vs tors. theta energy: -120.263
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: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1575.579911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.579911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.579911 (E_RNA)
where:
Base-Base interactions energy: -1089.344
where: short stacking energy: -438.706
Base-Backbone interact. energy: -0.326
local terms energy: -485.910082
where:
bonds (distance) C4'-P energy: -90.438
bonds (distance) P-C4' energy: -93.326
flat angles C4'-P-C4' energy: -112.610
flat angles P-C4'-P energy: -72.873
tors. eta vs tors. theta energy: -116.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1510.568322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.568322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.568322 (E_RNA)
where:
Base-Base interactions energy: -1037.780
where: short stacking energy: -425.890
Base-Backbone interact. energy: -3.018
local terms energy: -469.771048
where:
bonds (distance) C4'-P energy: -98.110
bonds (distance) P-C4' energy: -96.584
flat angles C4'-P-C4' energy: -93.873
flat angles P-C4'-P energy: -69.538
tors. eta vs tors. theta energy: -111.666
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: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1385.049347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.049347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.049347 (E_RNA)
where:
Base-Base interactions energy: -915.183
where: short stacking energy: -377.481
Base-Backbone interact. energy: -3.612
local terms energy: -466.254333
where:
bonds (distance) C4'-P energy: -98.206
bonds (distance) P-C4' energy: -111.996
flat angles C4'-P-C4' energy: -98.893
flat angles P-C4'-P energy: -56.890
tors. eta vs tors. theta energy: -100.269
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: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1344.431019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.431019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.431019 (E_RNA)
where:
Base-Base interactions energy: -930.079
where: short stacking energy: -370.788
Base-Backbone interact. energy: -2.849
local terms energy: -411.503757
where:
bonds (distance) C4'-P energy: -74.062
bonds (distance) P-C4' energy: -89.921
flat angles C4'-P-C4' energy: -89.669
flat angles P-C4'-P energy: -53.103
tors. eta vs tors. theta energy: -104.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1106.205914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.205914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.205914 (E_RNA)
where:
Base-Base interactions energy: -725.356
where: short stacking energy: -306.506
Base-Backbone interact. energy: -1.422
local terms energy: -379.427674
where:
bonds (distance) C4'-P energy: -82.896
bonds (distance) P-C4' energy: -76.790
flat angles C4'-P-C4' energy: -86.229
flat angles P-C4'-P energy: -65.812
tors. eta vs tors. theta energy: -67.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -1043.150017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.150017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.150017 (E_RNA)
where:
Base-Base interactions energy: -664.270
where: short stacking energy: -282.761
Base-Backbone interact. energy: -2.100
local terms energy: -376.780046
where:
bonds (distance) C4'-P energy: -92.062
bonds (distance) P-C4' energy: -93.456
flat angles C4'-P-C4' energy: -97.153
flat angles P-C4'-P energy: -45.563
tors. eta vs tors. theta energy: -48.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1892.050867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.050867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.050867 (E_RNA)
where:
Base-Base interactions energy: -1312.266
where: short stacking energy: -558.405
Base-Backbone interact. energy: -3.104
local terms energy: -576.681082
where:
bonds (distance) C4'-P energy: -114.055
bonds (distance) P-C4' energy: -107.548
flat angles C4'-P-C4' energy: -127.320
flat angles P-C4'-P energy: -78.877
tors. eta vs tors. theta energy: -148.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1858.138571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.138571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.138571 (E_RNA)
where:
Base-Base interactions energy: -1297.309
where: short stacking energy: -514.544
Base-Backbone interact. energy: -6.546
local terms energy: -554.283671
where:
bonds (distance) C4'-P energy: -97.632
bonds (distance) P-C4' energy: -107.065
flat angles C4'-P-C4' energy: -114.208
flat angles P-C4'-P energy: -72.513
tors. eta vs tors. theta energy: -162.866
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: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1773.663993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.663993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.663993 (E_RNA)
where:
Base-Base interactions energy: -1221.988
where: short stacking energy: -510.629
Base-Backbone interact. energy: -0.741
local terms energy: -550.935114
where:
bonds (distance) C4'-P energy: -95.664
bonds (distance) P-C4' energy: -109.818
flat angles C4'-P-C4' energy: -118.832
flat angles P-C4'-P energy: -79.545
tors. eta vs tors. theta energy: -147.076
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: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1678.562856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.562856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.562856 (E_RNA)
where:
Base-Base interactions energy: -1153.448
where: short stacking energy: -458.342
Base-Backbone interact. energy: -5.195
local terms energy: -519.919906
where:
bonds (distance) C4'-P energy: -112.069
bonds (distance) P-C4' energy: -89.072
flat angles C4'-P-C4' energy: -106.261
flat angles P-C4'-P energy: -70.256
tors. eta vs tors. theta energy: -142.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1566.777560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.777560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.777560 (E_RNA)
where:
Base-Base interactions energy: -1052.340
where: short stacking energy: -463.463
Base-Backbone interact. energy: -2.545
local terms energy: -511.893163
where:
bonds (distance) C4'-P energy: -88.477
bonds (distance) P-C4' energy: -109.133
flat angles C4'-P-C4' energy: -108.742
flat angles P-C4'-P energy: -83.247
tors. eta vs tors. theta energy: -122.294
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: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1533.277833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.277833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.277833 (E_RNA)
where:
Base-Base interactions energy: -1099.009
where: short stacking energy: -440.719
Base-Backbone interact. energy: 0.410
local terms energy: -434.678404
where:
bonds (distance) C4'-P energy: -85.830
bonds (distance) P-C4' energy: -80.199
flat angles C4'-P-C4' energy: -104.549
flat angles P-C4'-P energy: -58.902
tors. eta vs tors. theta energy: -105.199
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: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1404.898061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.898061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.898061 (E_RNA)
where:
Base-Base interactions energy: -957.542
where: short stacking energy: -399.151
Base-Backbone interact. energy: -0.506
local terms energy: -446.849624
where:
bonds (distance) C4'-P energy: -85.853
bonds (distance) P-C4' energy: -91.391
flat angles C4'-P-C4' energy: -95.953
flat angles P-C4'-P energy: -70.190
tors. eta vs tors. theta energy: -103.464
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: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1355.130682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.130682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.130682 (E_RNA)
where:
Base-Base interactions energy: -914.081
where: short stacking energy: -398.801
Base-Backbone interact. energy: -2.286
local terms energy: -438.763470
where:
bonds (distance) C4'-P energy: -90.610
bonds (distance) P-C4' energy: -95.294
flat angles C4'-P-C4' energy: -95.172
flat angles P-C4'-P energy: -48.248
tors. eta vs tors. theta energy: -109.440
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: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1114.266179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.266179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.266179 (E_RNA)
where:
Base-Base interactions energy: -739.165
where: short stacking energy: -324.596
Base-Backbone interact. energy: -2.071
local terms energy: -373.029670
where:
bonds (distance) C4'-P energy: -73.253
bonds (distance) P-C4' energy: -87.741
flat angles C4'-P-C4' energy: -87.377
flat angles P-C4'-P energy: -53.294
tors. eta vs tors. theta energy: -71.364
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: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -997.312489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.312489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.312489 (E_RNA)
where:
Base-Base interactions energy: -643.556
where: short stacking energy: -245.320
Base-Backbone interact. energy: -2.662
local terms energy: -351.094999
where:
bonds (distance) C4'-P energy: -91.909
bonds (distance) P-C4' energy: -86.542
flat angles C4'-P-C4' energy: -74.271
flat angles P-C4'-P energy: -54.315
tors. eta vs tors. theta energy: -44.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1858.881169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.881169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.881169 (E_RNA)
where:
Base-Base interactions energy: -1279.911
where: short stacking energy: -549.294
Base-Backbone interact. energy: 0.690
local terms energy: -579.660138
where:
bonds (distance) C4'-P energy: -102.297
bonds (distance) P-C4' energy: -109.617
flat angles C4'-P-C4' energy: -122.548
flat angles P-C4'-P energy: -80.725
tors. eta vs tors. theta energy: -164.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1810.818051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.818051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.818051 (E_RNA)
where:
Base-Base interactions energy: -1228.018
where: short stacking energy: -508.610
Base-Backbone interact. energy: -5.500
local terms energy: -577.299914
where:
bonds (distance) C4'-P energy: -106.618
bonds (distance) P-C4' energy: -117.417
flat angles C4'-P-C4' energy: -124.494
flat angles P-C4'-P energy: -78.757
tors. eta vs tors. theta energy: -150.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1764.849791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.849791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.849791 (E_RNA)
where:
Base-Base interactions energy: -1224.416
where: short stacking energy: -520.329
Base-Backbone interact. energy: -2.277
local terms energy: -538.156606
where:
bonds (distance) C4'-P energy: -95.153
bonds (distance) P-C4' energy: -101.391
flat angles C4'-P-C4' energy: -112.019
flat angles P-C4'-P energy: -72.723
tors. eta vs tors. theta energy: -156.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1701.537474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.537474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.537474 (E_RNA)
where:
Base-Base interactions energy: -1152.213
where: short stacking energy: -469.942
Base-Backbone interact. energy: -2.558
local terms energy: -546.766282
where:
bonds (distance) C4'-P energy: -104.108
bonds (distance) P-C4' energy: -102.557
flat angles C4'-P-C4' energy: -122.764
flat angles P-C4'-P energy: -73.372
tors. eta vs tors. theta energy: -143.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1508.340944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.340944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.340944 (E_RNA)
where:
Base-Base interactions energy: -1016.886
where: short stacking energy: -432.842
Base-Backbone interact. energy: -0.822
local terms energy: -490.633145
where:
bonds (distance) C4'-P energy: -87.342
bonds (distance) P-C4' energy: -102.591
flat angles C4'-P-C4' energy: -110.977
flat angles P-C4'-P energy: -74.747
tors. eta vs tors. theta energy: -114.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1523.823947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.823947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.823947 (E_RNA)
where:
Base-Base interactions energy: -1063.605
where: short stacking energy: -462.929
Base-Backbone interact. energy: -1.720
local terms energy: -458.498265
where:
bonds (distance) C4'-P energy: -87.962
bonds (distance) P-C4' energy: -93.375
flat angles C4'-P-C4' energy: -91.981
flat angles P-C4'-P energy: -64.450
tors. eta vs tors. theta energy: -120.731
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: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1389.805963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.805963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.805963 (E_RNA)
where:
Base-Base interactions energy: -929.159
where: short stacking energy: -396.772
Base-Backbone interact. energy: 1.105
local terms energy: -461.752400
where:
bonds (distance) C4'-P energy: -99.500
bonds (distance) P-C4' energy: -105.228
flat angles C4'-P-C4' energy: -103.826
flat angles P-C4'-P energy: -63.677
tors. eta vs tors. theta energy: -89.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1317.619350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.619350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.619350 (E_RNA)
where:
Base-Base interactions energy: -918.871
where: short stacking energy: -370.960
Base-Backbone interact. energy: -4.805
local terms energy: -393.942941
where:
bonds (distance) C4'-P energy: -84.913
bonds (distance) P-C4' energy: -85.601
flat angles C4'-P-C4' energy: -81.602
flat angles P-C4'-P energy: -51.909
tors. eta vs tors. theta energy: -89.918
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: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1127.454100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.454100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.454100 (E_RNA)
where:
Base-Base interactions energy: -714.826
where: short stacking energy: -313.240
Base-Backbone interact. energy: 6.184
local terms energy: -418.812299
where:
bonds (distance) C4'-P energy: -77.738
bonds (distance) P-C4' energy: -101.574
flat angles C4'-P-C4' energy: -92.448
flat angles P-C4'-P energy: -72.136
tors. eta vs tors. theta energy: -74.915
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: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -994.156371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.156371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.156371 (E_RNA)
where:
Base-Base interactions energy: -640.178
where: short stacking energy: -298.290
Base-Backbone interact. energy: -2.579
local terms energy: -351.399832
where:
bonds (distance) C4'-P energy: -70.011
bonds (distance) P-C4' energy: -93.558
flat angles C4'-P-C4' energy: -89.386
flat angles P-C4'-P energy: -52.122
tors. eta vs tors. theta energy: -46.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1857.870139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.870139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.870139 (E_RNA)
where:
Base-Base interactions energy: -1289.563
where: short stacking energy: -546.208
Base-Backbone interact. energy: -0.766
local terms energy: -567.541351
where:
bonds (distance) C4'-P energy: -98.460
bonds (distance) P-C4' energy: -100.211
flat angles C4'-P-C4' energy: -125.812
flat angles P-C4'-P energy: -85.177
tors. eta vs tors. theta energy: -157.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1787.259411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.259411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.259411 (E_RNA)
where:
Base-Base interactions energy: -1254.453
where: short stacking energy: -531.349
Base-Backbone interact. energy: 0.353
local terms energy: -533.158804
where:
bonds (distance) C4'-P energy: -94.172
bonds (distance) P-C4' energy: -89.009
flat angles C4'-P-C4' energy: -121.651
flat angles P-C4'-P energy: -83.440
tors. eta vs tors. theta energy: -144.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1756.098917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.098917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.098917 (E_RNA)
where:
Base-Base interactions energy: -1220.754
where: short stacking energy: -523.520
Base-Backbone interact. energy: -3.703
local terms energy: -531.641274
where:
bonds (distance) C4'-P energy: -107.674
bonds (distance) P-C4' energy: -97.836
flat angles C4'-P-C4' energy: -108.284
flat angles P-C4'-P energy: -71.300
tors. eta vs tors. theta energy: -146.548
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: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1666.363567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.363567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.363567 (E_RNA)
where:
Base-Base interactions energy: -1141.525
where: short stacking energy: -496.066
Base-Backbone interact. energy: -1.397
local terms energy: -523.441941
where:
bonds (distance) C4'-P energy: -95.862
bonds (distance) P-C4' energy: -93.503
flat angles C4'-P-C4' energy: -115.960
flat angles P-C4'-P energy: -67.973
tors. eta vs tors. theta energy: -150.145
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: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1531.976944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.976944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.976944 (E_RNA)
where:
Base-Base interactions energy: -1028.848
where: short stacking energy: -422.589
Base-Backbone interact. energy: -4.852
local terms energy: -498.277433
where:
bonds (distance) C4'-P energy: -99.608
bonds (distance) P-C4' energy: -98.648
flat angles C4'-P-C4' energy: -111.777
flat angles P-C4'-P energy: -65.915
tors. eta vs tors. theta energy: -122.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1504.384376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.384376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.384376 (E_RNA)
where:
Base-Base interactions energy: -1044.829
where: short stacking energy: -433.495
Base-Backbone interact. energy: 1.562
local terms energy: -461.117357
where:
bonds (distance) C4'-P energy: -96.900
bonds (distance) P-C4' energy: -85.691
flat angles C4'-P-C4' energy: -105.382
flat angles P-C4'-P energy: -61.358
tors. eta vs tors. theta energy: -111.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1386.898938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.898938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.898938 (E_RNA)
where:
Base-Base interactions energy: -968.823
where: short stacking energy: -412.115
Base-Backbone interact. energy: -4.325
local terms energy: -413.750387
where:
bonds (distance) C4'-P energy: -82.912
bonds (distance) P-C4' energy: -90.426
flat angles C4'-P-C4' energy: -95.785
flat angles P-C4'-P energy: -44.887
tors. eta vs tors. theta energy: -99.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1345.551245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.551245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.551245 (E_RNA)
where:
Base-Base interactions energy: -902.899
where: short stacking energy: -382.561
Base-Backbone interact. energy: -2.499
local terms energy: -440.153605
where:
bonds (distance) C4'-P energy: -93.076
bonds (distance) P-C4' energy: -103.877
flat angles C4'-P-C4' energy: -96.007
flat angles P-C4'-P energy: -51.602
tors. eta vs tors. theta energy: -95.591
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: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1032.913027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.913027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.913027 (E_RNA)
where:
Base-Base interactions energy: -660.095
where: short stacking energy: -295.286
Base-Backbone interact. energy: 0.556
local terms energy: -373.373652
where:
bonds (distance) C4'-P energy: -85.146
bonds (distance) P-C4' energy: -99.926
flat angles C4'-P-C4' energy: -96.355
flat angles P-C4'-P energy: -40.263
tors. eta vs tors. theta energy: -51.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -954.283692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.283692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.283692 (E_RNA)
where:
Base-Base interactions energy: -583.788
where: short stacking energy: -267.258
Base-Backbone interact. energy: -2.047
local terms energy: -368.449149
where:
bonds (distance) C4'-P energy: -81.660
bonds (distance) P-C4' energy: -85.188
flat angles C4'-P-C4' energy: -94.259
flat angles P-C4'-P energy: -71.218
tors. eta vs tors. theta energy: -36.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1883.323535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.323535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.323535 (E_RNA)
where:
Base-Base interactions energy: -1297.407
where: short stacking energy: -551.142
Base-Backbone interact. energy: -4.903
local terms energy: -581.013483
where:
bonds (distance) C4'-P energy: -109.603
bonds (distance) P-C4' energy: -114.902
flat angles C4'-P-C4' energy: -110.550
flat angles P-C4'-P energy: -80.695
tors. eta vs tors. theta energy: -165.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1807.900734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.900734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.900734 (E_RNA)
where:
Base-Base interactions energy: -1254.568
where: short stacking energy: -535.396
Base-Backbone interact. energy: -1.335
local terms energy: -551.998118
where:
bonds (distance) C4'-P energy: -98.727
bonds (distance) P-C4' energy: -96.074
flat angles C4'-P-C4' energy: -115.504
flat angles P-C4'-P energy: -87.709
tors. eta vs tors. theta energy: -153.983
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: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1793.035608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.035608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.035608 (E_RNA)
where:
Base-Base interactions energy: -1232.253
where: short stacking energy: -538.550
Base-Backbone interact. energy: 0.861
local terms energy: -561.643240
where:
bonds (distance) C4'-P energy: -103.402
bonds (distance) P-C4' energy: -106.107
flat angles C4'-P-C4' energy: -118.215
flat angles P-C4'-P energy: -79.123
tors. eta vs tors. theta energy: -154.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1661.836528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.836528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.836528 (E_RNA)
where:
Base-Base interactions energy: -1138.122
where: short stacking energy: -489.282
Base-Backbone interact. energy: -3.168
local terms energy: -520.545857
where:
bonds (distance) C4'-P energy: -101.092
bonds (distance) P-C4' energy: -89.610
flat angles C4'-P-C4' energy: -108.358
flat angles P-C4'-P energy: -71.155
tors. eta vs tors. theta energy: -150.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1521.935235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.935235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.935235 (E_RNA)
where:
Base-Base interactions energy: -1024.475
where: short stacking energy: -453.356
Base-Backbone interact. energy: -3.907
local terms energy: -493.552796
where:
bonds (distance) C4'-P energy: -94.861
bonds (distance) P-C4' energy: -106.505
flat angles C4'-P-C4' energy: -111.947
flat angles P-C4'-P energy: -67.873
tors. eta vs tors. theta energy: -112.367
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: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1508.293872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.293872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.293872 (E_RNA)
where:
Base-Base interactions energy: -1013.040
where: short stacking energy: -422.575
Base-Backbone interact. energy: -1.116
local terms energy: -494.138067
where:
bonds (distance) C4'-P energy: -106.053
bonds (distance) P-C4' energy: -92.617
flat angles C4'-P-C4' energy: -106.045
flat angles P-C4'-P energy: -77.054
tors. eta vs tors. theta energy: -112.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1396.101434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.101434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.101434 (E_RNA)
where:
Base-Base interactions energy: -944.526
where: short stacking energy: -409.567
Base-Backbone interact. energy: -1.077
local terms energy: -450.499141
where:
bonds (distance) C4'-P energy: -98.188
bonds (distance) P-C4' energy: -86.511
flat angles C4'-P-C4' energy: -100.348
flat angles P-C4'-P energy: -62.982
tors. eta vs tors. theta energy: -102.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1374.818557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.818557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.818557 (E_RNA)
where:
Base-Base interactions energy: -922.391
where: short stacking energy: -375.705
Base-Backbone interact. energy: -1.510
local terms energy: -450.916731
where:
bonds (distance) C4'-P energy: -98.126
bonds (distance) P-C4' energy: -90.503
flat angles C4'-P-C4' energy: -93.664
flat angles P-C4'-P energy: -61.399
tors. eta vs tors. theta energy: -107.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1028.373770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.373770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.373770 (E_RNA)
where:
Base-Base interactions energy: -664.525
where: short stacking energy: -300.872
Base-Backbone interact. energy: 7.402
local terms energy: -371.250990
where:
bonds (distance) C4'-P energy: -79.189
bonds (distance) P-C4' energy: -84.947
flat angles C4'-P-C4' energy: -101.285
flat angles P-C4'-P energy: -56.016
tors. eta vs tors. theta energy: -49.814
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: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -963.215728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.215728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.215728 (E_RNA)
where:
Base-Base interactions energy: -612.611
where: short stacking energy: -277.811
Base-Backbone interact. energy: 3.536
local terms energy: -354.139807
where:
bonds (distance) C4'-P energy: -82.164
bonds (distance) P-C4' energy: -80.187
flat angles C4'-P-C4' energy: -92.184
flat angles P-C4'-P energy: -46.319
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: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1871.203160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.203160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.203160 (E_RNA)
where:
Base-Base interactions energy: -1289.201
where: short stacking energy: -538.426
Base-Backbone interact. energy: 2.147
local terms energy: -584.149499
where:
bonds (distance) C4'-P energy: -115.149
bonds (distance) P-C4' energy: -107.653
flat angles C4'-P-C4' energy: -126.167
flat angles P-C4'-P energy: -74.600
tors. eta vs tors. theta energy: -160.580
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: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1806.383610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.383610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.383610 (E_RNA)
where:
Base-Base interactions energy: -1258.481
where: short stacking energy: -522.899
Base-Backbone interact. energy: -3.386
local terms energy: -544.516512
where:
bonds (distance) C4'-P energy: -93.150
bonds (distance) P-C4' energy: -110.403
flat angles C4'-P-C4' energy: -123.733
flat angles P-C4'-P energy: -67.141
tors. eta vs tors. theta energy: -150.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1765.608582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.608582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.608582 (E_RNA)
where:
Base-Base interactions energy: -1211.933
where: short stacking energy: -507.649
Base-Backbone interact. energy: -0.309
local terms energy: -553.366991
where:
bonds (distance) C4'-P energy: -99.261
bonds (distance) P-C4' energy: -100.889
flat angles C4'-P-C4' energy: -118.971
flat angles P-C4'-P energy: -78.121
tors. eta vs tors. theta energy: -156.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1656.984146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.984146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.984146 (E_RNA)
where:
Base-Base interactions energy: -1134.723
where: short stacking energy: -487.590
Base-Backbone interact. energy: -3.293
local terms energy: -518.967618
where:
bonds (distance) C4'-P energy: -76.304
bonds (distance) P-C4' energy: -107.474
flat angles C4'-P-C4' energy: -115.126
flat angles P-C4'-P energy: -76.869
tors. eta vs tors. theta energy: -143.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1547.745621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.745621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.745621 (E_RNA)
where:
Base-Base interactions energy: -1047.641
where: short stacking energy: -438.945
Base-Backbone interact. energy: 0.856
local terms energy: -500.960691
where:
bonds (distance) C4'-P energy: -84.757
bonds (distance) P-C4' energy: -98.167
flat angles C4'-P-C4' energy: -108.224
flat angles P-C4'-P energy: -72.540
tors. eta vs tors. theta energy: -137.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1496.556319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.556319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.556319 (E_RNA)
where:
Base-Base interactions energy: -1030.546
where: short stacking energy: -422.804
Base-Backbone interact. energy: 0.271
local terms energy: -466.280839
where:
bonds (distance) C4'-P energy: -92.088
bonds (distance) P-C4' energy: -95.506
flat angles C4'-P-C4' energy: -95.230
flat angles P-C4'-P energy: -75.979
tors. eta vs tors. theta energy: -107.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1406.926686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.926686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.926686 (E_RNA)
where:
Base-Base interactions energy: -951.961
where: short stacking energy: -385.385
Base-Backbone interact. energy: -0.961
local terms energy: -454.004841
where:
bonds (distance) C4'-P energy: -90.411
bonds (distance) P-C4' energy: -90.009
flat angles C4'-P-C4' energy: -97.478
flat angles P-C4'-P energy: -74.401
tors. eta vs tors. theta energy: -101.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1388.928606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.928606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.928606 (E_RNA)
where:
Base-Base interactions energy: -955.839
where: short stacking energy: -384.676
Base-Backbone interact. energy: -3.079
local terms energy: -430.009781
where:
bonds (distance) C4'-P energy: -87.579
bonds (distance) P-C4' energy: -86.499
flat angles C4'-P-C4' energy: -88.149
flat angles P-C4'-P energy: -66.603
tors. eta vs tors. theta energy: -101.179
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: 26
Temperature: 1.300000
Total energy: -1066.424697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.424697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.424697 (E_RNA)
where:
Base-Base interactions energy: -711.564
where: short stacking energy: -285.808
Base-Backbone interact. energy: -0.445
local terms energy: -354.416319
where:
bonds (distance) C4'-P energy: -87.483
bonds (distance) P-C4' energy: -90.938
flat angles C4'-P-C4' energy: -87.194
flat angles P-C4'-P energy: -43.288
tors. eta vs tors. theta energy: -45.514
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: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -953.352474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.352474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.352474 (E_RNA)
where:
Base-Base interactions energy: -597.392
where: short stacking energy: -276.382
Base-Backbone interact. energy: 0.040
local terms energy: -356.000261
where:
bonds (distance) C4'-P energy: -92.844
bonds (distance) P-C4' energy: -77.452
flat angles C4'-P-C4' energy: -91.790
flat angles P-C4'-P energy: -48.779
tors. eta vs tors. theta energy: -45.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1898.402684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.402684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.402684 (E_RNA)
where:
Base-Base interactions energy: -1309.389
where: short stacking energy: -551.901
Base-Backbone interact. energy: -4.827
local terms energy: -584.186503
where:
bonds (distance) C4'-P energy: -108.591
bonds (distance) P-C4' energy: -105.467
flat angles C4'-P-C4' energy: -126.010
flat angles P-C4'-P energy: -81.820
tors. eta vs tors. theta energy: -162.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1851.061377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.061377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.061377 (E_RNA)
where:
Base-Base interactions energy: -1259.851
where: short stacking energy: -547.588
Base-Backbone interact. energy: -1.579
local terms energy: -589.630567
where:
bonds (distance) C4'-P energy: -105.316
bonds (distance) P-C4' energy: -113.112
flat angles C4'-P-C4' energy: -117.829
flat angles P-C4'-P energy: -86.548
tors. eta vs tors. theta energy: -166.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1755.580485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.580485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.580485 (E_RNA)
where:
Base-Base interactions energy: -1209.761
where: short stacking energy: -510.555
Base-Backbone interact. energy: -1.286
local terms energy: -544.532801
where:
bonds (distance) C4'-P energy: -108.013
bonds (distance) P-C4' energy: -98.662
flat angles C4'-P-C4' energy: -117.472
flat angles P-C4'-P energy: -69.963
tors. eta vs tors. theta energy: -150.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1630.529891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.529891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.529891 (E_RNA)
where:
Base-Base interactions energy: -1100.651
where: short stacking energy: -467.631
Base-Backbone interact. energy: -6.330
local terms energy: -523.548592
where:
bonds (distance) C4'-P energy: -92.927
bonds (distance) P-C4' energy: -101.598
flat angles C4'-P-C4' energy: -117.328
flat angles P-C4'-P energy: -79.145
tors. eta vs tors. theta energy: -132.552
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: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1564.273381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.273381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.273381 (E_RNA)
where:
Base-Base interactions energy: -1058.205
where: short stacking energy: -442.094
Base-Backbone interact. energy: -2.416
local terms energy: -503.651705
where:
bonds (distance) C4'-P energy: -106.765
bonds (distance) P-C4' energy: -97.919
flat angles C4'-P-C4' energy: -112.701
flat angles P-C4'-P energy: -67.985
tors. eta vs tors. theta energy: -118.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1445.120665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.120665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.120665 (E_RNA)
where:
Base-Base interactions energy: -986.210
where: short stacking energy: -408.869
Base-Backbone interact. energy: -2.090
local terms energy: -456.820695
where:
bonds (distance) C4'-P energy: -93.944
bonds (distance) P-C4' energy: -93.272
flat angles C4'-P-C4' energy: -100.456
flat angles P-C4'-P energy: -64.558
tors. eta vs tors. theta energy: -104.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1389.741601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.741601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.741601 (E_RNA)
where:
Base-Base interactions energy: -936.622
where: short stacking energy: -373.347
Base-Backbone interact. energy: 0.415
local terms energy: -453.534230
where:
bonds (distance) C4'-P energy: -86.484
bonds (distance) P-C4' energy: -86.818
flat angles C4'-P-C4' energy: -116.518
flat angles P-C4'-P energy: -64.790
tors. eta vs tors. theta energy: -98.923
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: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1379.174020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.174020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.174020 (E_RNA)
where:
Base-Base interactions energy: -909.936
where: short stacking energy: -381.865
Base-Backbone interact. energy: -2.042
local terms energy: -467.196585
where:
bonds (distance) C4'-P energy: -97.370
bonds (distance) P-C4' energy: -114.800
flat angles C4'-P-C4' energy: -94.109
flat angles P-C4'-P energy: -65.322
tors. eta vs tors. theta energy: -95.596
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: 27
Temperature: 1.300000
Total energy: -985.687609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.687609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.687609 (E_RNA)
where:
Base-Base interactions energy: -651.597
where: short stacking energy: -291.108
Base-Backbone interact. energy: 2.231
local terms energy: -336.321597
where:
bonds (distance) C4'-P energy: -82.885
bonds (distance) P-C4' energy: -85.504
flat angles C4'-P-C4' energy: -84.667
flat angles P-C4'-P energy: -45.875
tors. eta vs tors. theta energy: -37.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -835.457923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.457923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.457923 (E_RNA)
where:
Base-Base interactions energy: -498.391
where: short stacking energy: -221.613
Base-Backbone interact. energy: -2.329
local terms energy: -334.738606
where:
bonds (distance) C4'-P energy: -76.707
bonds (distance) P-C4' energy: -89.257
flat angles C4'-P-C4' energy: -82.282
flat angles P-C4'-P energy: -50.119
tors. eta vs tors. theta energy: -36.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1897.066366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.066366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.066366 (E_RNA)
where:
Base-Base interactions energy: -1296.380
where: short stacking energy: -559.031
Base-Backbone interact. energy: -4.150
local terms energy: -596.535916
where:
bonds (distance) C4'-P energy: -115.007
bonds (distance) P-C4' energy: -95.999
flat angles C4'-P-C4' energy: -128.291
flat angles P-C4'-P energy: -89.223
tors. eta vs tors. theta energy: -168.016
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: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1818.154012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.154012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.154012 (E_RNA)
where:
Base-Base interactions energy: -1251.262
where: short stacking energy: -553.460
Base-Backbone interact. energy: -2.679
local terms energy: -564.213294
where:
bonds (distance) C4'-P energy: -102.835
bonds (distance) P-C4' energy: -99.803
flat angles C4'-P-C4' energy: -130.817
flat angles P-C4'-P energy: -77.571
tors. eta vs tors. theta energy: -153.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1738.905512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.905512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.905512 (E_RNA)
where:
Base-Base interactions energy: -1181.841
where: short stacking energy: -488.340
Base-Backbone interact. energy: -2.369
local terms energy: -554.695705
where:
bonds (distance) C4'-P energy: -104.546
bonds (distance) P-C4' energy: -114.293
flat angles C4'-P-C4' energy: -119.184
flat angles P-C4'-P energy: -78.186
tors. eta vs tors. theta energy: -138.487
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: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1628.557957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.557957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.557957 (E_RNA)
where:
Base-Base interactions energy: -1121.935
where: short stacking energy: -477.989
Base-Backbone interact. energy: -0.068
local terms energy: -506.555165
where:
bonds (distance) C4'-P energy: -91.611
bonds (distance) P-C4' energy: -93.782
flat angles C4'-P-C4' energy: -108.934
flat angles P-C4'-P energy: -70.223
tors. eta vs tors. theta energy: -142.005
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: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1559.380114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.380114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.380114 (E_RNA)
where:
Base-Base interactions energy: -1083.344
where: short stacking energy: -463.321
Base-Backbone interact. energy: 1.252
local terms energy: -477.288328
where:
bonds (distance) C4'-P energy: -87.213
bonds (distance) P-C4' energy: -98.272
flat angles C4'-P-C4' energy: -98.343
flat angles P-C4'-P energy: -78.732
tors. eta vs tors. theta energy: -114.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1472.471765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.471765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.471765 (E_RNA)
where:
Base-Base interactions energy: -1014.754
where: short stacking energy: -420.620
Base-Backbone interact. energy: 2.550
local terms energy: -460.267709
where:
bonds (distance) C4'-P energy: -93.128
bonds (distance) P-C4' energy: -82.727
flat angles C4'-P-C4' energy: -93.792
flat angles P-C4'-P energy: -74.969
tors. eta vs tors. theta energy: -115.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1375.383916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.383916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.383916 (E_RNA)
where:
Base-Base interactions energy: -937.329
where: short stacking energy: -368.970
Base-Backbone interact. energy: -0.799
local terms energy: -437.255965
where:
bonds (distance) C4'-P energy: -84.344
bonds (distance) P-C4' energy: -94.984
flat angles C4'-P-C4' energy: -109.536
flat angles P-C4'-P energy: -62.399
tors. eta vs tors. theta energy: -85.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1310.431864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.431864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.431864 (E_RNA)
where:
Base-Base interactions energy: -880.313
where: short stacking energy: -371.064
Base-Backbone interact. energy: 8.094
local terms energy: -438.212780
where:
bonds (distance) C4'-P energy: -75.671
bonds (distance) P-C4' energy: -100.147
flat angles C4'-P-C4' energy: -96.222
flat angles P-C4'-P energy: -78.646
tors. eta vs tors. theta energy: -87.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1023.958701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.958701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.958701 (E_RNA)
where:
Base-Base interactions energy: -681.508
where: short stacking energy: -306.480
Base-Backbone interact. energy: -1.441
local terms energy: -341.009181
where:
bonds (distance) C4'-P energy: -43.199
bonds (distance) P-C4' energy: -97.283
flat angles C4'-P-C4' energy: -96.326
flat angles P-C4'-P energy: -51.538
tors. eta vs tors. theta energy: -52.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -788.925200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.925200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.925200 (E_RNA)
where:
Base-Base interactions energy: -475.628
where: short stacking energy: -227.603
Base-Backbone interact. energy: 0.183
local terms energy: -313.480246
where:
bonds (distance) C4'-P energy: -73.933
bonds (distance) P-C4' energy: -84.749
flat angles C4'-P-C4' energy: -78.548
flat angles P-C4'-P energy: -53.338
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: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1904.319978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.319978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.319978 (E_RNA)
where:
Base-Base interactions energy: -1323.515
where: short stacking energy: -532.241
Base-Backbone interact. energy: -4.947
local terms energy: -575.857556
where:
bonds (distance) C4'-P energy: -106.917
bonds (distance) P-C4' energy: -106.613
flat angles C4'-P-C4' energy: -131.607
flat angles P-C4'-P energy: -69.885
tors. eta vs tors. theta energy: -160.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1816.599679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.599679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.599679 (E_RNA)
where:
Base-Base interactions energy: -1260.453
where: short stacking energy: -544.339
Base-Backbone interact. energy: 1.210
local terms energy: -557.356712
where:
bonds (distance) C4'-P energy: -101.381
bonds (distance) P-C4' energy: -107.407
flat angles C4'-P-C4' energy: -118.275
flat angles P-C4'-P energy: -70.312
tors. eta vs tors. theta energy: -159.981
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: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1732.796010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.796010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.796010 (E_RNA)
where:
Base-Base interactions energy: -1174.256
where: short stacking energy: -470.884
Base-Backbone interact. energy: -3.261
local terms energy: -555.278706
where:
bonds (distance) C4'-P energy: -107.019
bonds (distance) P-C4' energy: -114.183
flat angles C4'-P-C4' energy: -113.140
flat angles P-C4'-P energy: -77.517
tors. eta vs tors. theta energy: -143.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1640.704080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.704080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.704080 (E_RNA)
where:
Base-Base interactions energy: -1149.562
where: short stacking energy: -476.010
Base-Backbone interact. energy: -5.045
local terms energy: -486.097344
where:
bonds (distance) C4'-P energy: -92.070
bonds (distance) P-C4' energy: -92.015
flat angles C4'-P-C4' energy: -112.639
flat angles P-C4'-P energy: -69.524
tors. eta vs tors. theta energy: -119.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1611.109895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.109895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.109895 (E_RNA)
where:
Base-Base interactions energy: -1100.361
where: short stacking energy: -471.807
Base-Backbone interact. energy: -3.629
local terms energy: -507.119754
where:
bonds (distance) C4'-P energy: -83.338
bonds (distance) P-C4' energy: -101.882
flat angles C4'-P-C4' energy: -114.339
flat angles P-C4'-P energy: -80.468
tors. eta vs tors. theta energy: -127.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1484.710587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.710587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.710587 (E_RNA)
where:
Base-Base interactions energy: -1004.921
where: short stacking energy: -410.285
Base-Backbone interact. energy: -1.600
local terms energy: -478.189786
where:
bonds (distance) C4'-P energy: -88.038
bonds (distance) P-C4' energy: -117.635
flat angles C4'-P-C4' energy: -98.409
flat angles P-C4'-P energy: -62.306
tors. eta vs tors. theta energy: -111.802
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: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1416.618636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.618636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.618636 (E_RNA)
where:
Base-Base interactions energy: -986.147
where: short stacking energy: -391.403
Base-Backbone interact. energy: 3.370
local terms energy: -433.841552
where:
bonds (distance) C4'-P energy: -103.481
bonds (distance) P-C4' energy: -86.047
flat angles C4'-P-C4' energy: -81.016
flat angles P-C4'-P energy: -61.159
tors. eta vs tors. theta energy: -102.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1258.458914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.458914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.458914 (E_RNA)
where:
Base-Base interactions energy: -811.221
where: short stacking energy: -338.134
Base-Backbone interact. energy: -1.599
local terms energy: -445.638647
where:
bonds (distance) C4'-P energy: -95.163
bonds (distance) P-C4' energy: -94.450
flat angles C4'-P-C4' energy: -98.195
flat angles P-C4'-P energy: -65.950
tors. eta vs tors. theta energy: -91.882
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: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1008.868010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.868010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.868010 (E_RNA)
where:
Base-Base interactions energy: -610.467
where: short stacking energy: -276.857
Base-Backbone interact. energy: -0.422
local terms energy: -397.979713
where:
bonds (distance) C4'-P energy: -91.589
bonds (distance) P-C4' energy: -91.020
flat angles C4'-P-C4' energy: -100.144
flat angles P-C4'-P energy: -71.158
tors. eta vs tors. theta energy: -44.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -749.508248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.508248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.508248 (E_RNA)
where:
Base-Base interactions energy: -424.908
where: short stacking energy: -203.213
Base-Backbone interact. energy: 2.723
local terms energy: -327.323176
where:
bonds (distance) C4'-P energy: -93.573
bonds (distance) P-C4' energy: -105.778
flat angles C4'-P-C4' energy: -98.801
flat angles P-C4'-P energy: -29.447
tors. eta vs tors. theta energy: 0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1880.676040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.676040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.676040 (E_RNA)
where:
Base-Base interactions energy: -1301.801
where: short stacking energy: -532.975
Base-Backbone interact. energy: -0.870
local terms energy: -578.004518
where:
bonds (distance) C4'-P energy: -110.455
bonds (distance) P-C4' energy: -101.691
flat angles C4'-P-C4' energy: -130.859
flat angles P-C4'-P energy: -83.938
tors. eta vs tors. theta energy: -151.060
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: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1812.995957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.995957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.995957 (E_RNA)
where:
Base-Base interactions energy: -1258.442
where: short stacking energy: -532.105
Base-Backbone interact. energy: 4.404
local terms energy: -558.957491
where:
bonds (distance) C4'-P energy: -105.622
bonds (distance) P-C4' energy: -98.668
flat angles C4'-P-C4' energy: -121.776
flat angles P-C4'-P energy: -82.192
tors. eta vs tors. theta energy: -150.701
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: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1705.403258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.403258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.403258 (E_RNA)
where:
Base-Base interactions energy: -1160.717
where: short stacking energy: -489.072
Base-Backbone interact. energy: -1.189
local terms energy: -543.497645
where:
bonds (distance) C4'-P energy: -111.061
bonds (distance) P-C4' energy: -97.111
flat angles C4'-P-C4' energy: -120.069
flat angles P-C4'-P energy: -81.569
tors. eta vs tors. theta energy: -133.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1687.390223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.390223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.390223 (E_RNA)
where:
Base-Base interactions energy: -1169.019
where: short stacking energy: -509.208
Base-Backbone interact. energy: -2.543
local terms energy: -515.828520
where:
bonds (distance) C4'-P energy: -97.175
bonds (distance) P-C4' energy: -100.047
flat angles C4'-P-C4' energy: -113.509
flat angles P-C4'-P energy: -63.183
tors. eta vs tors. theta energy: -141.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1598.128791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.128791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.128791 (E_RNA)
where:
Base-Base interactions energy: -1084.901
where: short stacking energy: -457.357
Base-Backbone interact. energy: 0.806
local terms energy: -514.033580
where:
bonds (distance) C4'-P energy: -95.280
bonds (distance) P-C4' energy: -100.348
flat angles C4'-P-C4' energy: -115.111
flat angles P-C4'-P energy: -76.703
tors. eta vs tors. theta energy: -126.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1482.301073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.301073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.301073 (E_RNA)
where:
Base-Base interactions energy: -986.606
where: short stacking energy: -435.911
Base-Backbone interact. energy: -2.022
local terms energy: -493.672611
where:
bonds (distance) C4'-P energy: -116.022
bonds (distance) P-C4' energy: -96.065
flat angles C4'-P-C4' energy: -91.898
flat angles P-C4'-P energy: -73.712
tors. eta vs tors. theta energy: -115.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1387.975546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.975546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.975546 (E_RNA)
where:
Base-Base interactions energy: -945.533
where: short stacking energy: -404.129
Base-Backbone interact. energy: -2.824
local terms energy: -439.618524
where:
bonds (distance) C4'-P energy: -88.131
bonds (distance) P-C4' energy: -98.549
flat angles C4'-P-C4' energy: -91.358
flat angles P-C4'-P energy: -62.372
tors. eta vs tors. theta energy: -99.209
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: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1263.183461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.183461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.183461 (E_RNA)
where:
Base-Base interactions energy: -847.498
where: short stacking energy: -340.737
Base-Backbone interact. energy: 0.123
local terms energy: -415.808799
where:
bonds (distance) C4'-P energy: -64.939
bonds (distance) P-C4' energy: -94.453
flat angles C4'-P-C4' energy: -101.456
flat angles P-C4'-P energy: -73.258
tors. eta vs tors. theta energy: -81.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -954.144355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.144355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.144355 (E_RNA)
where:
Base-Base interactions energy: -614.668
where: short stacking energy: -260.868
Base-Backbone interact. energy: 0.359
local terms energy: -339.835398
where:
bonds (distance) C4'-P energy: -80.426
bonds (distance) P-C4' energy: -89.498
flat angles C4'-P-C4' energy: -86.738
flat angles P-C4'-P energy: -47.206
tors. eta vs tors. theta energy: -35.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -754.625256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.625256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.625256 (E_RNA)
where:
Base-Base interactions energy: -446.518
where: short stacking energy: -229.366
Base-Backbone interact. energy: 1.412
local terms energy: -309.519797
where:
bonds (distance) C4'-P energy: -88.610
bonds (distance) P-C4' energy: -90.382
flat angles C4'-P-C4' energy: -66.772
flat angles P-C4'-P energy: -38.214
tors. eta vs tors. theta energy: -25.541
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: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1889.941097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.941097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.941097 (E_RNA)
where:
Base-Base interactions energy: -1309.600
where: short stacking energy: -553.865
Base-Backbone interact. energy: -0.390
local terms energy: -579.951655
where:
bonds (distance) C4'-P energy: -100.024
bonds (distance) P-C4' energy: -104.012
flat angles C4'-P-C4' energy: -125.352
flat angles P-C4'-P energy: -90.308
tors. eta vs tors. theta energy: -160.256
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: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1815.129719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.129719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.129719 (E_RNA)
where:
Base-Base interactions energy: -1258.431
where: short stacking energy: -499.014
Base-Backbone interact. energy: 0.336
local terms energy: -557.034791
where:
bonds (distance) C4'-P energy: -112.923
bonds (distance) P-C4' energy: -109.463
flat angles C4'-P-C4' energy: -105.454
flat angles P-C4'-P energy: -90.110
tors. eta vs tors. theta energy: -139.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1734.418587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.418587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.418587 (E_RNA)
where:
Base-Base interactions energy: -1209.214
where: short stacking energy: -486.581
Base-Backbone interact. energy: -1.713
local terms energy: -523.491308
where:
bonds (distance) C4'-P energy: -107.965
bonds (distance) P-C4' energy: -93.370
flat angles C4'-P-C4' energy: -107.772
flat angles P-C4'-P energy: -72.909
tors. eta vs tors. theta energy: -141.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1660.526608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.526608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.526608 (E_RNA)
where:
Base-Base interactions energy: -1133.148
where: short stacking energy: -476.509
Base-Backbone interact. energy: -3.603
local terms energy: -523.775828
where:
bonds (distance) C4'-P energy: -93.288
bonds (distance) P-C4' energy: -104.998
flat angles C4'-P-C4' energy: -117.878
flat angles P-C4'-P energy: -75.425
tors. eta vs tors. theta energy: -132.186
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: 31
Temperature: 1.100000
Total energy: -1578.759836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.759836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.759836 (E_RNA)
where:
Base-Base interactions energy: -1082.907
where: short stacking energy: -454.761
Base-Backbone interact. energy: 4.316
local terms energy: -500.169199
where:
bonds (distance) C4'-P energy: -98.676
bonds (distance) P-C4' energy: -96.538
flat angles C4'-P-C4' energy: -114.828
flat angles P-C4'-P energy: -63.377
tors. eta vs tors. theta energy: -126.750
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: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1500.800948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.800948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.800948 (E_RNA)
where:
Base-Base interactions energy: -1039.104
where: short stacking energy: -439.980
Base-Backbone interact. energy: -5.180
local terms energy: -456.517244
where:
bonds (distance) C4'-P energy: -64.170
bonds (distance) P-C4' energy: -101.981
flat angles C4'-P-C4' energy: -110.230
flat angles P-C4'-P energy: -55.798
tors. eta vs tors. theta energy: -124.339
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: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1414.975605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.975605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.975605 (E_RNA)
where:
Base-Base interactions energy: -970.006
where: short stacking energy: -385.280
Base-Backbone interact. energy: 1.414
local terms energy: -446.384090
where:
bonds (distance) C4'-P energy: -85.667
bonds (distance) P-C4' energy: -89.650
flat angles C4'-P-C4' energy: -107.344
flat angles P-C4'-P energy: -72.405
tors. eta vs tors. theta energy: -91.318
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: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1269.062905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.062905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.062905 (E_RNA)
where:
Base-Base interactions energy: -863.555
where: short stacking energy: -335.011
Base-Backbone interact. energy: 0.367
local terms energy: -405.874753
where:
bonds (distance) C4'-P energy: -77.326
bonds (distance) P-C4' energy: -105.808
flat angles C4'-P-C4' energy: -88.663
flat angles P-C4'-P energy: -64.664
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: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1032.602051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.602051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.602051 (E_RNA)
where:
Base-Base interactions energy: -686.783
where: short stacking energy: -277.128
Base-Backbone interact. energy: -0.985
local terms energy: -344.833697
where:
bonds (distance) C4'-P energy: -82.247
bonds (distance) P-C4' energy: -87.981
flat angles C4'-P-C4' energy: -70.771
flat angles P-C4'-P energy: -50.760
tors. eta vs tors. theta energy: -53.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -679.570486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.570486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.570486 (E_RNA)
where:
Base-Base interactions energy: -368.931
where: short stacking energy: -199.303
Base-Backbone interact. energy: 3.356
local terms energy: -313.994863
where:
bonds (distance) C4'-P energy: -90.052
bonds (distance) P-C4' energy: -78.003
flat angles C4'-P-C4' energy: -70.372
flat angles P-C4'-P energy: -47.113
tors. eta vs tors. theta energy: -28.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1885.394934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.394934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.394934 (E_RNA)
where:
Base-Base interactions energy: -1299.498
where: short stacking energy: -540.158
Base-Backbone interact. energy: -1.254
local terms energy: -584.642086
where:
bonds (distance) C4'-P energy: -103.370
bonds (distance) P-C4' energy: -94.620
flat angles C4'-P-C4' energy: -125.864
flat angles P-C4'-P energy: -93.551
tors. eta vs tors. theta energy: -167.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1832.453932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.453932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.453932 (E_RNA)
where:
Base-Base interactions energy: -1263.639
where: short stacking energy: -529.072
Base-Backbone interact. energy: -3.077
local terms energy: -565.737594
where:
bonds (distance) C4'-P energy: -105.757
bonds (distance) P-C4' energy: -111.729
flat angles C4'-P-C4' energy: -119.274
flat angles P-C4'-P energy: -79.012
tors. eta vs tors. theta energy: -149.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1736.272667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.272667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.272667 (E_RNA)
where:
Base-Base interactions energy: -1200.279
where: short stacking energy: -498.593
Base-Backbone interact. energy: -2.072
local terms energy: -533.922324
where:
bonds (distance) C4'-P energy: -101.601
bonds (distance) P-C4' energy: -107.950
flat angles C4'-P-C4' energy: -110.810
flat angles P-C4'-P energy: -72.654
tors. eta vs tors. theta energy: -140.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1654.113754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.113754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.113754 (E_RNA)
where:
Base-Base interactions energy: -1127.315
where: short stacking energy: -470.240
Base-Backbone interact. energy: -0.962
local terms energy: -525.836847
where:
bonds (distance) C4'-P energy: -88.597
bonds (distance) P-C4' energy: -112.239
flat angles C4'-P-C4' energy: -102.791
flat angles P-C4'-P energy: -81.538
tors. eta vs tors. theta energy: -140.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1585.596365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.596365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.596365 (E_RNA)
where:
Base-Base interactions energy: -1059.859
where: short stacking energy: -443.065
Base-Backbone interact. energy: -2.093
local terms energy: -523.644438
where:
bonds (distance) C4'-P energy: -112.040
bonds (distance) P-C4' energy: -99.513
flat angles C4'-P-C4' energy: -115.057
flat angles P-C4'-P energy: -67.668
tors. eta vs tors. theta energy: -129.366
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: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1410.163618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.163618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.163618 (E_RNA)
where:
Base-Base interactions energy: -944.024
where: short stacking energy: -415.543
Base-Backbone interact. energy: -0.283
local terms energy: -465.855848
where:
bonds (distance) C4'-P energy: -80.035
bonds (distance) P-C4' energy: -94.519
flat angles C4'-P-C4' energy: -119.055
flat angles P-C4'-P energy: -66.720
tors. eta vs tors. theta energy: -105.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1410.229233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.229233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.229233 (E_RNA)
where:
Base-Base interactions energy: -980.013
where: short stacking energy: -406.521
Base-Backbone interact. energy: -3.425
local terms energy: -426.790523
where:
bonds (distance) C4'-P energy: -77.107
bonds (distance) P-C4' energy: -83.819
flat angles C4'-P-C4' energy: -100.273
flat angles P-C4'-P energy: -72.382
tors. eta vs tors. theta energy: -93.209
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: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1308.817199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.817199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.817199 (E_RNA)
where:
Base-Base interactions energy: -876.714
where: short stacking energy: -365.400
Base-Backbone interact. energy: -1.782
local terms energy: -430.321346
where:
bonds (distance) C4'-P energy: -77.432
bonds (distance) P-C4' energy: -106.382
flat angles C4'-P-C4' energy: -96.769
flat angles P-C4'-P energy: -55.019
tors. eta vs tors. theta energy: -94.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -974.617128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.617128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.617128 (E_RNA)
where:
Base-Base interactions energy: -611.163
where: short stacking energy: -250.983
Base-Backbone interact. energy: -1.157
local terms energy: -362.296991
where:
bonds (distance) C4'-P energy: -79.887
bonds (distance) P-C4' energy: -109.375
flat angles C4'-P-C4' energy: -88.996
flat angles P-C4'-P energy: -56.026
tors. eta vs tors. theta energy: -28.013
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: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -728.591654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.591654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.591654 (E_RNA)
where:
Base-Base interactions energy: -374.502
where: short stacking energy: -204.298
Base-Backbone interact. energy: 1.127
local terms energy: -355.216421
where:
bonds (distance) C4'-P energy: -86.751
bonds (distance) P-C4' energy: -90.418
flat angles C4'-P-C4' energy: -95.064
flat angles P-C4'-P energy: -55.314
tors. eta vs tors. theta energy: -27.669
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: 33
Temperature: 0.900000
Total energy: -1876.852613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.852613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.852613 (E_RNA)
where:
Base-Base interactions energy: -1296.745
where: short stacking energy: -565.818
Base-Backbone interact. energy: -2.486
local terms energy: -577.621735
where:
bonds (distance) C4'-P energy: -94.487
bonds (distance) P-C4' energy: -104.505
flat angles C4'-P-C4' energy: -133.677
flat angles P-C4'-P energy: -81.341
tors. eta vs tors. theta energy: -163.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1808.231765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.231765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.231765 (E_RNA)
where:
Base-Base interactions energy: -1248.053
where: short stacking energy: -522.653
Base-Backbone interact. energy: -5.179
local terms energy: -554.999434
where:
bonds (distance) C4'-P energy: -92.162
bonds (distance) P-C4' energy: -103.682
flat angles C4'-P-C4' energy: -134.090
flat angles P-C4'-P energy: -82.331
tors. eta vs tors. theta energy: -142.735
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: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1734.355450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.355450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.355450 (E_RNA)
where:
Base-Base interactions energy: -1189.188
where: short stacking energy: -501.946
Base-Backbone interact. energy: -2.684
local terms energy: -542.484151
where:
bonds (distance) C4'-P energy: -103.189
bonds (distance) P-C4' energy: -88.450
flat angles C4'-P-C4' energy: -129.762
flat angles P-C4'-P energy: -77.991
tors. eta vs tors. theta energy: -143.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1623.501469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.501469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.501469 (E_RNA)
where:
Base-Base interactions energy: -1104.854
where: short stacking energy: -485.360
Base-Backbone interact. energy: -2.818
local terms energy: -515.829421
where:
bonds (distance) C4'-P energy: -88.694
bonds (distance) P-C4' energy: -101.872
flat angles C4'-P-C4' energy: -104.002
flat angles P-C4'-P energy: -82.585
tors. eta vs tors. theta energy: -138.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1612.855162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.855162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.855162 (E_RNA)
where:
Base-Base interactions energy: -1114.135
where: short stacking energy: -473.601
Base-Backbone interact. energy: -3.513
local terms energy: -495.207188
where:
bonds (distance) C4'-P energy: -107.662
bonds (distance) P-C4' energy: -94.358
flat angles C4'-P-C4' energy: -104.038
flat angles P-C4'-P energy: -67.498
tors. eta vs tors. theta energy: -121.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1384.002951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.002951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.002951 (E_RNA)
where:
Base-Base interactions energy: -923.838
where: short stacking energy: -368.020
Base-Backbone interact. energy: 0.498
local terms energy: -460.663697
where:
bonds (distance) C4'-P energy: -104.542
bonds (distance) P-C4' energy: -97.604
flat angles C4'-P-C4' energy: -97.919
flat angles P-C4'-P energy: -66.464
tors. eta vs tors. theta energy: -94.135
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: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1436.349778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.349778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.349778 (E_RNA)
where:
Base-Base interactions energy: -957.290
where: short stacking energy: -387.714
Base-Backbone interact. energy: -0.341
local terms energy: -478.718486
where:
bonds (distance) C4'-P energy: -110.997
bonds (distance) P-C4' energy: -94.480
flat angles C4'-P-C4' energy: -100.988
flat angles P-C4'-P energy: -69.169
tors. eta vs tors. theta energy: -103.085
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: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1252.608751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.608751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.608751 (E_RNA)
where:
Base-Base interactions energy: -849.606
where: short stacking energy: -366.401
Base-Backbone interact. energy: 2.689
local terms energy: -405.692148
where:
bonds (distance) C4'-P energy: -94.983
bonds (distance) P-C4' energy: -77.558
flat angles C4'-P-C4' energy: -89.227
flat angles P-C4'-P energy: -61.638
tors. eta vs tors. theta energy: -82.286
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: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1081.750513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.750513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.750513 (E_RNA)
where:
Base-Base interactions energy: -706.283
where: short stacking energy: -298.675
Base-Backbone interact. energy: -1.419
local terms energy: -374.048094
where:
bonds (distance) C4'-P energy: -89.519
bonds (distance) P-C4' energy: -82.785
flat angles C4'-P-C4' energy: -90.718
flat angles P-C4'-P energy: -60.208
tors. eta vs tors. theta energy: -50.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -701.811914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.811914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.811914 (E_RNA)
where:
Base-Base interactions energy: -393.385
where: short stacking energy: -210.071
Base-Backbone interact. energy: -0.789
local terms energy: -307.637234
where:
bonds (distance) C4'-P energy: -79.515
bonds (distance) P-C4' energy: -81.138
flat angles C4'-P-C4' energy: -72.995
flat angles P-C4'-P energy: -48.263
tors. eta vs tors. theta energy: -25.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1895.223737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.223737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.223737 (E_RNA)
where:
Base-Base interactions energy: -1304.797
where: short stacking energy: -543.621
Base-Backbone interact. energy: -0.466
local terms energy: -589.959989
where:
bonds (distance) C4'-P energy: -113.610
bonds (distance) P-C4' energy: -111.229
flat angles C4'-P-C4' energy: -121.823
flat angles P-C4'-P energy: -79.928
tors. eta vs tors. theta energy: -163.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1811.662445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.662445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.662445 (E_RNA)
where:
Base-Base interactions energy: -1249.264
where: short stacking energy: -539.159
Base-Backbone interact. energy: -0.509
local terms energy: -561.889396
where:
bonds (distance) C4'-P energy: -104.989
bonds (distance) P-C4' energy: -101.739
flat angles C4'-P-C4' energy: -111.750
flat angles P-C4'-P energy: -86.373
tors. eta vs tors. theta energy: -157.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1749.633243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.633243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.633243 (E_RNA)
where:
Base-Base interactions energy: -1205.214
where: short stacking energy: -503.943
Base-Backbone interact. energy: 0.468
local terms energy: -544.887498
where:
bonds (distance) C4'-P energy: -101.413
bonds (distance) P-C4' energy: -108.658
flat angles C4'-P-C4' energy: -114.211
flat angles P-C4'-P energy: -81.935
tors. eta vs tors. theta energy: -138.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1648.443027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.443027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.443027 (E_RNA)
where:
Base-Base interactions energy: -1138.328
where: short stacking energy: -477.491
Base-Backbone interact. energy: -2.682
local terms energy: -507.433402
where:
bonds (distance) C4'-P energy: -101.970
bonds (distance) P-C4' energy: -95.835
flat angles C4'-P-C4' energy: -105.873
flat angles P-C4'-P energy: -73.408
tors. eta vs tors. theta energy: -130.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1569.831789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.831789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.831789 (E_RNA)
where:
Base-Base interactions energy: -1081.558
where: short stacking energy: -457.831
Base-Backbone interact. energy: -1.605
local terms energy: -486.668437
where:
bonds (distance) C4'-P energy: -97.571
bonds (distance) P-C4' energy: -74.353
flat angles C4'-P-C4' energy: -116.706
flat angles P-C4'-P energy: -75.378
tors. eta vs tors. theta energy: -122.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1438.003017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.003017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.003017 (E_RNA)
where:
Base-Base interactions energy: -991.650
where: short stacking energy: -393.996
Base-Backbone interact. energy: -2.488
local terms energy: -443.864546
where:
bonds (distance) C4'-P energy: -95.405
bonds (distance) P-C4' energy: -100.428
flat angles C4'-P-C4' energy: -90.387
flat angles P-C4'-P energy: -51.608
tors. eta vs tors. theta energy: -106.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1410.115069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.115069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.115069 (E_RNA)
where:
Base-Base interactions energy: -955.800
where: short stacking energy: -413.656
Base-Backbone interact. energy: -2.293
local terms energy: -452.022279
where:
bonds (distance) C4'-P energy: -78.717
bonds (distance) P-C4' energy: -108.431
flat angles C4'-P-C4' energy: -100.151
flat angles P-C4'-P energy: -68.467
tors. eta vs tors. theta energy: -96.257
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: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1226.652323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.652323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.652323 (E_RNA)
where:
Base-Base interactions energy: -824.581
where: short stacking energy: -333.726
Base-Backbone interact. energy: -0.514
local terms energy: -401.557608
where:
bonds (distance) C4'-P energy: -104.197
bonds (distance) P-C4' energy: -86.284
flat angles C4'-P-C4' energy: -73.681
flat angles P-C4'-P energy: -63.748
tors. eta vs tors. theta energy: -73.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1048.646728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.646728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.646728 (E_RNA)
where:
Base-Base interactions energy: -672.399
where: short stacking energy: -279.900
Base-Backbone interact. energy: -1.020
local terms energy: -375.227128
where:
bonds (distance) C4'-P energy: -87.399
bonds (distance) P-C4' energy: -93.260
flat angles C4'-P-C4' energy: -100.139
flat angles P-C4'-P energy: -50.535
tors. eta vs tors. theta energy: -43.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -680.071837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.071837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.071837 (E_RNA)
where:
Base-Base interactions energy: -370.808
where: short stacking energy: -186.239
Base-Backbone interact. energy: 2.846
local terms energy: -312.109774
where:
bonds (distance) C4'-P energy: -89.493
bonds (distance) P-C4' energy: -82.962
flat angles C4'-P-C4' energy: -74.588
flat angles P-C4'-P energy: -51.228
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1894.908298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.908298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.908298 (E_RNA)
where:
Base-Base interactions energy: -1300.147
where: short stacking energy: -534.759
Base-Backbone interact. energy: -6.173
local terms energy: -588.587747
where:
bonds (distance) C4'-P energy: -104.056
bonds (distance) P-C4' energy: -121.028
flat angles C4'-P-C4' energy: -119.748
flat angles P-C4'-P energy: -83.584
tors. eta vs tors. theta energy: -160.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1799.417158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.417158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.417158 (E_RNA)
where:
Base-Base interactions energy: -1241.071
where: short stacking energy: -521.127
Base-Backbone interact. energy: -3.680
local terms energy: -554.666257
where:
bonds (distance) C4'-P energy: -102.545
bonds (distance) P-C4' energy: -106.048
flat angles C4'-P-C4' energy: -125.228
flat angles P-C4'-P energy: -71.695
tors. eta vs tors. theta energy: -149.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1748.087632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.087632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.087632 (E_RNA)
where:
Base-Base interactions energy: -1211.951
where: short stacking energy: -495.659
Base-Backbone interact. energy: -3.084
local terms energy: -533.052233
where:
bonds (distance) C4'-P energy: -102.479
bonds (distance) P-C4' energy: -93.220
flat angles C4'-P-C4' energy: -121.644
flat angles P-C4'-P energy: -77.015
tors. eta vs tors. theta energy: -138.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1620.977299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.977299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.977299 (E_RNA)
where:
Base-Base interactions energy: -1134.636
where: short stacking energy: -461.284
Base-Backbone interact. energy: -1.219
local terms energy: -485.122584
where:
bonds (distance) C4'-P energy: -102.785
bonds (distance) P-C4' energy: -89.430
flat angles C4'-P-C4' energy: -108.270
flat angles P-C4'-P energy: -65.918
tors. eta vs tors. theta energy: -118.720
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: 35
Temperature: 1.100000
Total energy: -1579.242950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.242950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.242950 (E_RNA)
where:
Base-Base interactions energy: -1073.251
where: short stacking energy: -468.432
Base-Backbone interact. energy: -1.305
local terms energy: -504.687187
where:
bonds (distance) C4'-P energy: -97.682
bonds (distance) P-C4' energy: -102.157
flat angles C4'-P-C4' energy: -117.894
flat angles P-C4'-P energy: -62.372
tors. eta vs tors. theta energy: -124.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1521.805221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.805221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.805221 (E_RNA)
where:
Base-Base interactions energy: -1053.920
where: short stacking energy: -425.679
Base-Backbone interact. energy: 3.488
local terms energy: -471.373240
where:
bonds (distance) C4'-P energy: -79.329
bonds (distance) P-C4' energy: -98.175
flat angles C4'-P-C4' energy: -110.668
flat angles P-C4'-P energy: -61.047
tors. eta vs tors. theta energy: -122.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1396.667298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.667298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.667298 (E_RNA)
where:
Base-Base interactions energy: -943.272
where: short stacking energy: -377.740
Base-Backbone interact. energy: -1.189
local terms energy: -452.205541
where:
bonds (distance) C4'-P energy: -105.074
bonds (distance) P-C4' energy: -95.443
flat angles C4'-P-C4' energy: -113.784
flat angles P-C4'-P energy: -38.408
tors. eta vs tors. theta energy: -99.496
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: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1236.404792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.404792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.404792 (E_RNA)
where:
Base-Base interactions energy: -828.735
where: short stacking energy: -339.822
Base-Backbone interact. energy: -0.409
local terms energy: -407.261060
where:
bonds (distance) C4'-P energy: -90.499
bonds (distance) P-C4' energy: -70.254
flat angles C4'-P-C4' energy: -94.284
flat angles P-C4'-P energy: -71.493
tors. eta vs tors. theta energy: -80.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1046.804695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.804695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.804695 (E_RNA)
where:
Base-Base interactions energy: -666.876
where: short stacking energy: -289.829
Base-Backbone interact. energy: 3.204
local terms energy: -383.132754
where:
bonds (distance) C4'-P energy: -75.221
bonds (distance) P-C4' energy: -108.711
flat angles C4'-P-C4' energy: -85.741
flat angles P-C4'-P energy: -56.934
tors. eta vs tors. theta energy: -56.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -699.811761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.811761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.811761 (E_RNA)
where:
Base-Base interactions energy: -378.740
where: short stacking energy: -205.558
Base-Backbone interact. energy: -1.410
local terms energy: -319.661714
where:
bonds (distance) C4'-P energy: -75.379
bonds (distance) P-C4' energy: -94.706
flat angles C4'-P-C4' energy: -83.490
flat angles P-C4'-P energy: -46.410
tors. eta vs tors. theta energy: -19.677
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: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1886.835687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.835687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.835687 (E_RNA)
where:
Base-Base interactions energy: -1306.435
where: short stacking energy: -527.939
Base-Backbone interact. energy: -4.501
local terms energy: -575.899097
where:
bonds (distance) C4'-P energy: -107.910
bonds (distance) P-C4' energy: -117.110
flat angles C4'-P-C4' energy: -116.608
flat angles P-C4'-P energy: -80.612
tors. eta vs tors. theta energy: -153.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1798.372512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.372512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.372512 (E_RNA)
where:
Base-Base interactions energy: -1236.470
where: short stacking energy: -516.954
Base-Backbone interact. energy: -1.878
local terms energy: -560.023808
where:
bonds (distance) C4'-P energy: -109.632
bonds (distance) P-C4' energy: -113.328
flat angles C4'-P-C4' energy: -119.714
flat angles P-C4'-P energy: -67.090
tors. eta vs tors. theta energy: -150.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1786.705893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.705893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.705893 (E_RNA)
where:
Base-Base interactions energy: -1238.611
where: short stacking energy: -518.409
Base-Backbone interact. energy: -2.794
local terms energy: -545.301695
where:
bonds (distance) C4'-P energy: -89.036
bonds (distance) P-C4' energy: -114.703
flat angles C4'-P-C4' energy: -116.704
flat angles P-C4'-P energy: -85.299
tors. eta vs tors. theta energy: -139.559
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: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1648.063303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.063303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.063303 (E_RNA)
where:
Base-Base interactions energy: -1122.935
where: short stacking energy: -467.793
Base-Backbone interact. energy: -2.022
local terms energy: -523.106334
where:
bonds (distance) C4'-P energy: -114.770
bonds (distance) P-C4' energy: -95.794
flat angles C4'-P-C4' energy: -110.104
flat angles P-C4'-P energy: -76.295
tors. eta vs tors. theta energy: -126.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1555.233071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.233071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.233071 (E_RNA)
where:
Base-Base interactions energy: -1062.952
where: short stacking energy: -407.294
Base-Backbone interact. energy: -2.134
local terms energy: -490.147144
where:
bonds (distance) C4'-P energy: -101.255
bonds (distance) P-C4' energy: -95.499
flat angles C4'-P-C4' energy: -100.305
flat angles P-C4'-P energy: -89.043
tors. eta vs tors. theta energy: -104.045
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: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1469.456016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.456016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.456016 (E_RNA)
where:
Base-Base interactions energy: -1017.998
where: short stacking energy: -424.799
Base-Backbone interact. energy: 0.448
local terms energy: -451.905768
where:
bonds (distance) C4'-P energy: -106.721
bonds (distance) P-C4' energy: -83.301
flat angles C4'-P-C4' energy: -103.656
flat angles P-C4'-P energy: -57.685
tors. eta vs tors. theta energy: -100.544
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: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1464.005143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.005143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.005143 (E_RNA)
where:
Base-Base interactions energy: -1012.423
where: short stacking energy: -411.254
Base-Backbone interact. energy: -3.098
local terms energy: -448.483713
where:
bonds (distance) C4'-P energy: -97.945
bonds (distance) P-C4' energy: -88.766
flat angles C4'-P-C4' energy: -95.960
flat angles P-C4'-P energy: -58.085
tors. eta vs tors. theta energy: -107.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1275.736912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.736912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.736912 (E_RNA)
where:
Base-Base interactions energy: -875.275
where: short stacking energy: -387.694
Base-Backbone interact. energy: -0.614
local terms energy: -399.848364
where:
bonds (distance) C4'-P energy: -83.321
bonds (distance) P-C4' energy: -81.918
flat angles C4'-P-C4' energy: -96.921
flat angles P-C4'-P energy: -64.310
tors. eta vs tors. theta energy: -73.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1013.295176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.295176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.295176 (E_RNA)
where:
Base-Base interactions energy: -651.714
where: short stacking energy: -271.830
Base-Backbone interact. energy: -1.103
local terms energy: -360.477865
where:
bonds (distance) C4'-P energy: -86.315
bonds (distance) P-C4' energy: -89.022
flat angles C4'-P-C4' energy: -84.988
flat angles P-C4'-P energy: -60.654
tors. eta vs tors. theta energy: -39.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -750.685739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.685739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.685739 (E_RNA)
where:
Base-Base interactions energy: -442.524
where: short stacking energy: -198.925
Base-Backbone interact. energy: -3.330
local terms energy: -304.831123
where:
bonds (distance) C4'-P energy: -78.600
bonds (distance) P-C4' energy: -82.019
flat angles C4'-P-C4' energy: -81.002
flat angles P-C4'-P energy: -44.858
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1914.121437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.121437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.121437 (E_RNA)
where:
Base-Base interactions energy: -1317.422
where: short stacking energy: -564.480
Base-Backbone interact. energy: -3.726
local terms energy: -592.973551
where:
bonds (distance) C4'-P energy: -99.795
bonds (distance) P-C4' energy: -112.578
flat angles C4'-P-C4' energy: -121.881
flat angles P-C4'-P energy: -83.280
tors. eta vs tors. theta energy: -175.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1804.592269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.592269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.592269 (E_RNA)
where:
Base-Base interactions energy: -1244.644
where: short stacking energy: -523.227
Base-Backbone interact. energy: -1.353
local terms energy: -558.596060
where:
bonds (distance) C4'-P energy: -97.824
bonds (distance) P-C4' energy: -113.749
flat angles C4'-P-C4' energy: -118.205
flat angles P-C4'-P energy: -84.672
tors. eta vs tors. theta energy: -144.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1742.728211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.728211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.728211 (E_RNA)
where:
Base-Base interactions energy: -1208.362
where: short stacking energy: -484.360
Base-Backbone interact. energy: -4.672
local terms energy: -529.694062
where:
bonds (distance) C4'-P energy: -96.741
bonds (distance) P-C4' energy: -94.512
flat angles C4'-P-C4' energy: -116.690
flat angles P-C4'-P energy: -83.016
tors. eta vs tors. theta energy: -138.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1626.361022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.361022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.361022 (E_RNA)
where:
Base-Base interactions energy: -1129.058
where: short stacking energy: -444.116
Base-Backbone interact. energy: 2.774
local terms energy: -500.077296
where:
bonds (distance) C4'-P energy: -90.334
bonds (distance) P-C4' energy: -99.278
flat angles C4'-P-C4' energy: -106.387
flat angles P-C4'-P energy: -75.314
tors. eta vs tors. theta energy: -128.765
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: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1572.262032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.262032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.262032 (E_RNA)
where:
Base-Base interactions energy: -1052.726
where: short stacking energy: -447.981
Base-Backbone interact. energy: 0.989
local terms energy: -520.525074
where:
bonds (distance) C4'-P energy: -111.468
bonds (distance) P-C4' energy: -110.351
flat angles C4'-P-C4' energy: -101.581
flat angles P-C4'-P energy: -78.683
tors. eta vs tors. theta energy: -118.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1495.297372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.297372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.297372 (E_RNA)
where:
Base-Base interactions energy: -1011.127
where: short stacking energy: -422.976
Base-Backbone interact. energy: -0.289
local terms energy: -483.881742
where:
bonds (distance) C4'-P energy: -93.173
bonds (distance) P-C4' energy: -85.984
flat angles C4'-P-C4' energy: -110.825
flat angles P-C4'-P energy: -75.358
tors. eta vs tors. theta energy: -118.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1441.747910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.747910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.747910 (E_RNA)
where:
Base-Base interactions energy: -973.819
where: short stacking energy: -403.605
Base-Backbone interact. energy: 0.763
local terms energy: -468.692631
where:
bonds (distance) C4'-P energy: -90.515
bonds (distance) P-C4' energy: -89.435
flat angles C4'-P-C4' energy: -109.430
flat angles P-C4'-P energy: -61.121
tors. eta vs tors. theta energy: -118.192
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: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1254.325794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.325794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.325794 (E_RNA)
where:
Base-Base interactions energy: -812.929
where: short stacking energy: -352.055
Base-Backbone interact. energy: -1.283
local terms energy: -440.113216
where:
bonds (distance) C4'-P energy: -88.774
bonds (distance) P-C4' energy: -98.900
flat angles C4'-P-C4' energy: -98.176
flat angles P-C4'-P energy: -56.441
tors. eta vs tors. theta energy: -97.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1093.629473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.629473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.629473 (E_RNA)
where:
Base-Base interactions energy: -729.322
where: short stacking energy: -316.532
Base-Backbone interact. energy: -1.171
local terms energy: -363.136477
where:
bonds (distance) C4'-P energy: -73.426
bonds (distance) P-C4' energy: -67.075
flat angles C4'-P-C4' energy: -100.345
flat angles P-C4'-P energy: -59.119
tors. eta vs tors. theta energy: -63.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -718.970339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.970339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.970339 (E_RNA)
where:
Base-Base interactions energy: -407.862
where: short stacking energy: -213.607
Base-Backbone interact. energy: 6.199
local terms energy: -317.306749
where:
bonds (distance) C4'-P energy: -89.951
bonds (distance) P-C4' energy: -71.459
flat angles C4'-P-C4' energy: -89.154
flat angles P-C4'-P energy: -49.379
tors. eta vs tors. theta energy: -17.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1893.063563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.063563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.063563 (E_RNA)
where:
Base-Base interactions energy: -1292.980
where: short stacking energy: -535.532
Base-Backbone interact. energy: -2.484
local terms energy: -597.599599
where:
bonds (distance) C4'-P energy: -117.166
bonds (distance) P-C4' energy: -120.380
flat angles C4'-P-C4' energy: -117.704
flat angles P-C4'-P energy: -82.289
tors. eta vs tors. theta energy: -160.060
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: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1821.705561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.705561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.705561 (E_RNA)
where:
Base-Base interactions energy: -1256.463
where: short stacking energy: -535.696
Base-Backbone interact. energy: -4.815
local terms energy: -560.427185
where:
bonds (distance) C4'-P energy: -110.342
bonds (distance) P-C4' energy: -105.602
flat angles C4'-P-C4' energy: -109.413
flat angles P-C4'-P energy: -76.789
tors. eta vs tors. theta energy: -158.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1795.005323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.005323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.005323 (E_RNA)
where:
Base-Base interactions energy: -1242.274
where: short stacking energy: -510.236
Base-Backbone interact. energy: -4.574
local terms energy: -548.156786
where:
bonds (distance) C4'-P energy: -105.761
bonds (distance) P-C4' energy: -106.983
flat angles C4'-P-C4' energy: -110.913
flat angles P-C4'-P energy: -66.653
tors. eta vs tors. theta energy: -157.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1637.531118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.531118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.531118 (E_RNA)
where:
Base-Base interactions energy: -1126.588
where: short stacking energy: -470.052
Base-Backbone interact. energy: -3.408
local terms energy: -507.535882
where:
bonds (distance) C4'-P energy: -95.520
bonds (distance) P-C4' energy: -98.721
flat angles C4'-P-C4' energy: -120.709
flat angles P-C4'-P energy: -63.777
tors. eta vs tors. theta energy: -128.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1562.249137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.249137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.249137 (E_RNA)
where:
Base-Base interactions energy: -1050.576
where: short stacking energy: -469.602
Base-Backbone interact. energy: -3.441
local terms energy: -508.232686
where:
bonds (distance) C4'-P energy: -94.962
bonds (distance) P-C4' energy: -106.038
flat angles C4'-P-C4' energy: -102.437
flat angles P-C4'-P energy: -76.199
tors. eta vs tors. theta energy: -128.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1506.903513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.903513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.903513 (E_RNA)
where:
Base-Base interactions energy: -1015.649
where: short stacking energy: -428.058
Base-Backbone interact. energy: 1.276
local terms energy: -492.530647
where:
bonds (distance) C4'-P energy: -101.426
bonds (distance) P-C4' energy: -101.240
flat angles C4'-P-C4' energy: -100.660
flat angles P-C4'-P energy: -77.457
tors. eta vs tors. theta energy: -111.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1434.258178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.258178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.258178 (E_RNA)
where:
Base-Base interactions energy: -962.797
where: short stacking energy: -427.766
Base-Backbone interact. energy: -0.116
local terms energy: -471.345459
where:
bonds (distance) C4'-P energy: -89.221
bonds (distance) P-C4' energy: -96.676
flat angles C4'-P-C4' energy: -116.048
flat angles P-C4'-P energy: -62.291
tors. eta vs tors. theta energy: -107.110
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: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1283.465751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.465751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.465751 (E_RNA)
where:
Base-Base interactions energy: -854.166
where: short stacking energy: -378.217
Base-Backbone interact. energy: -2.931
local terms energy: -426.368114
where:
bonds (distance) C4'-P energy: -85.555
bonds (distance) P-C4' energy: -93.327
flat angles C4'-P-C4' energy: -87.685
flat angles P-C4'-P energy: -58.667
tors. eta vs tors. theta energy: -101.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1067.763771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.763771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.763771 (E_RNA)
where:
Base-Base interactions energy: -711.911
where: short stacking energy: -316.354
Base-Backbone interact. energy: -0.828
local terms energy: -355.024662
where:
bonds (distance) C4'-P energy: -64.492
bonds (distance) P-C4' energy: -81.757
flat angles C4'-P-C4' energy: -90.573
flat angles P-C4'-P energy: -55.296
tors. eta vs tors. theta energy: -62.907
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: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -709.776790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.776790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.776790 (E_RNA)
where:
Base-Base interactions energy: -404.853
where: short stacking energy: -217.249
Base-Backbone interact. energy: -2.547
local terms energy: -302.377022
where:
bonds (distance) C4'-P energy: -85.246
bonds (distance) P-C4' energy: -81.323
flat angles C4'-P-C4' energy: -63.140
flat angles P-C4'-P energy: -53.946
tors. eta vs tors. theta energy: -18.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1901.467867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.467867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.467867 (E_RNA)
where:
Base-Base interactions energy: -1318.479
where: short stacking energy: -536.886
Base-Backbone interact. energy: -4.106
local terms energy: -578.882528
where:
bonds (distance) C4'-P energy: -110.153
bonds (distance) P-C4' energy: -103.678
flat angles C4'-P-C4' energy: -124.284
flat angles P-C4'-P energy: -82.894
tors. eta vs tors. theta energy: -157.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1812.415200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.415200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.415200 (E_RNA)
where:
Base-Base interactions energy: -1254.438
where: short stacking energy: -509.711
Base-Backbone interact. energy: -2.556
local terms energy: -555.421356
where:
bonds (distance) C4'-P energy: -91.543
bonds (distance) P-C4' energy: -109.343
flat angles C4'-P-C4' energy: -119.692
flat angles P-C4'-P energy: -84.126
tors. eta vs tors. theta energy: -150.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1760.508848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.508848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.508848 (E_RNA)
where:
Base-Base interactions energy: -1210.659
where: short stacking energy: -490.770
Base-Backbone interact. energy: 0.021
local terms energy: -549.870807
where:
bonds (distance) C4'-P energy: -107.472
bonds (distance) P-C4' energy: -92.045
flat angles C4'-P-C4' energy: -127.582
flat angles P-C4'-P energy: -72.603
tors. eta vs tors. theta energy: -150.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1680.235271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.235271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.235271 (E_RNA)
where:
Base-Base interactions energy: -1150.423
where: short stacking energy: -497.360
Base-Backbone interact. energy: 0.628
local terms energy: -530.441004
where:
bonds (distance) C4'-P energy: -105.018
bonds (distance) P-C4' energy: -97.645
flat angles C4'-P-C4' energy: -111.116
flat angles P-C4'-P energy: -75.884
tors. eta vs tors. theta energy: -140.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1539.612566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.612566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.612566 (E_RNA)
where:
Base-Base interactions energy: -1031.152
where: short stacking energy: -448.838
Base-Backbone interact. energy: -1.647
local terms energy: -506.813707
where:
bonds (distance) C4'-P energy: -105.130
bonds (distance) P-C4' energy: -96.742
flat angles C4'-P-C4' energy: -112.326
flat angles P-C4'-P energy: -67.258
tors. eta vs tors. theta energy: -125.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1510.635419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.635419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.635419 (E_RNA)
where:
Base-Base interactions energy: -1024.182
where: short stacking energy: -439.067
Base-Backbone interact. energy: -5.063
local terms energy: -481.391076
where:
bonds (distance) C4'-P energy: -92.607
bonds (distance) P-C4' energy: -100.888
flat angles C4'-P-C4' energy: -92.625
flat angles P-C4'-P energy: -72.313
tors. eta vs tors. theta energy: -122.958
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: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1413.753138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.753138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.753138 (E_RNA)
where:
Base-Base interactions energy: -978.569
where: short stacking energy: -401.178
Base-Backbone interact. energy: 0.639
local terms energy: -435.823488
where:
bonds (distance) C4'-P energy: -87.210
bonds (distance) P-C4' energy: -83.006
flat angles C4'-P-C4' energy: -86.729
flat angles P-C4'-P energy: -64.358
tors. eta vs tors. theta energy: -114.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1192.972749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.972749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.972749 (E_RNA)
where:
Base-Base interactions energy: -784.899
where: short stacking energy: -325.642
Base-Backbone interact. energy: -1.590
local terms energy: -406.483375
where:
bonds (distance) C4'-P energy: -96.002
bonds (distance) P-C4' energy: -88.683
flat angles C4'-P-C4' energy: -93.970
flat angles P-C4'-P energy: -52.476
tors. eta vs tors. theta energy: -75.353
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: 39
Temperature: 1.300000
Total energy: -1118.445394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.445394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.445394 (E_RNA)
where:
Base-Base interactions energy: -716.613
where: short stacking energy: -301.883
Base-Backbone interact. energy: 7.930
local terms energy: -409.762800
where:
bonds (distance) C4'-P energy: -89.786
bonds (distance) P-C4' energy: -97.474
flat angles C4'-P-C4' energy: -94.144
flat angles P-C4'-P energy: -74.233
tors. eta vs tors. theta energy: -54.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -702.275141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.275141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.275141 (E_RNA)
where:
Base-Base interactions energy: -372.617
where: short stacking energy: -181.024
Base-Backbone interact. energy: -1.327
local terms energy: -328.331283
where:
bonds (distance) C4'-P energy: -90.285
bonds (distance) P-C4' energy: -97.444
flat angles C4'-P-C4' energy: -75.275
flat angles P-C4'-P energy: -55.232
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1909.056537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.056537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.056537 (E_RNA)
where:
Base-Base interactions energy: -1319.148
where: short stacking energy: -539.638
Base-Backbone interact. energy: -3.540
local terms energy: -586.369188
where:
bonds (distance) C4'-P energy: -106.627
bonds (distance) P-C4' energy: -118.404
flat angles C4'-P-C4' energy: -118.291
flat angles P-C4'-P energy: -76.575
tors. eta vs tors. theta energy: -166.473
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: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1822.356211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.356211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.356211 (E_RNA)
where:
Base-Base interactions energy: -1263.724
where: short stacking energy: -531.614
Base-Backbone interact. energy: -1.846
local terms energy: -556.786306
where:
bonds (distance) C4'-P energy: -107.514
bonds (distance) P-C4' energy: -105.027
flat angles C4'-P-C4' energy: -118.496
flat angles P-C4'-P energy: -71.879
tors. eta vs tors. theta energy: -153.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1756.455106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.455106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.455106 (E_RNA)
where:
Base-Base interactions energy: -1209.219
where: short stacking energy: -494.985
Base-Backbone interact. energy: -4.224
local terms energy: -543.012126
where:
bonds (distance) C4'-P energy: -100.736
bonds (distance) P-C4' energy: -97.539
flat angles C4'-P-C4' energy: -113.494
flat angles P-C4'-P energy: -78.453
tors. eta vs tors. theta energy: -152.791
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: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1638.508309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.508309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.508309 (E_RNA)
where:
Base-Base interactions energy: -1104.199
where: short stacking energy: -463.729
Base-Backbone interact. energy: -4.209
local terms energy: -530.100113
where:
bonds (distance) C4'-P energy: -104.127
bonds (distance) P-C4' energy: -99.215
flat angles C4'-P-C4' energy: -122.326
flat angles P-C4'-P energy: -70.840
tors. eta vs tors. theta energy: -133.592
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: 40
Temperature: 1.100000
Total energy: -1563.172007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.172007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.172007 (E_RNA)
where:
Base-Base interactions energy: -1072.322
where: short stacking energy: -441.565
Base-Backbone interact. energy: -0.441
local terms energy: -490.409112
where:
bonds (distance) C4'-P energy: -98.368
bonds (distance) P-C4' energy: -92.224
flat angles C4'-P-C4' energy: -103.330
flat angles P-C4'-P energy: -71.127
tors. eta vs tors. theta energy: -125.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1467.764520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.764520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.764520 (E_RNA)
where:
Base-Base interactions energy: -1001.893
where: short stacking energy: -428.351
Base-Backbone interact. energy: -1.191
local terms energy: -464.681035
where:
bonds (distance) C4'-P energy: -84.253
bonds (distance) P-C4' energy: -88.528
flat angles C4'-P-C4' energy: -105.303
flat angles P-C4'-P energy: -72.678
tors. eta vs tors. theta energy: -113.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1416.575609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.575609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.575609 (E_RNA)
where:
Base-Base interactions energy: -967.145
where: short stacking energy: -402.824
Base-Backbone interact. energy: 0.500
local terms energy: -449.930827
where:
bonds (distance) C4'-P energy: -90.418
bonds (distance) P-C4' energy: -104.265
flat angles C4'-P-C4' energy: -90.503
flat angles P-C4'-P energy: -66.522
tors. eta vs tors. theta energy: -98.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1273.163120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.163120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.163120 (E_RNA)
where:
Base-Base interactions energy: -851.073
where: short stacking energy: -357.865
Base-Backbone interact. energy: 0.931
local terms energy: -423.020795
where:
bonds (distance) C4'-P energy: -97.495
bonds (distance) P-C4' energy: -80.872
flat angles C4'-P-C4' energy: -88.582
flat angles P-C4'-P energy: -69.004
tors. eta vs tors. theta energy: -87.068
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: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1103.338003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.338003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.338003 (E_RNA)
where:
Base-Base interactions energy: -691.775
where: short stacking energy: -308.652
Base-Backbone interact. energy: -1.037
local terms energy: -410.525430
where:
bonds (distance) C4'-P energy: -79.767
bonds (distance) P-C4' energy: -95.745
flat angles C4'-P-C4' energy: -111.457
flat angles P-C4'-P energy: -59.541
tors. eta vs tors. theta energy: -64.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -686.607859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.607859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.607859 (E_RNA)
where:
Base-Base interactions energy: -356.393
where: short stacking energy: -202.755
Base-Backbone interact. energy: 2.136
local terms energy: -332.350376
where:
bonds (distance) C4'-P energy: -79.512
bonds (distance) P-C4' energy: -84.583
flat angles C4'-P-C4' energy: -97.468
flat angles P-C4'-P energy: -47.672
tors. eta vs tors. theta energy: -23.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1876.223025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.223025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.223025 (E_RNA)
where:
Base-Base interactions energy: -1293.409
where: short stacking energy: -521.339
Base-Backbone interact. energy: -2.572
local terms energy: -580.241651
where:
bonds (distance) C4'-P energy: -112.519
bonds (distance) P-C4' energy: -108.736
flat angles C4'-P-C4' energy: -125.436
flat angles P-C4'-P energy: -78.631
tors. eta vs tors. theta energy: -154.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1830.198737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.198737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.198737 (E_RNA)
where:
Base-Base interactions energy: -1250.362
where: short stacking energy: -547.838
Base-Backbone interact. energy: -3.471
local terms energy: -576.364847
where:
bonds (distance) C4'-P energy: -108.445
bonds (distance) P-C4' energy: -98.574
flat angles C4'-P-C4' energy: -131.310
flat angles P-C4'-P energy: -85.021
tors. eta vs tors. theta energy: -153.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1755.543170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.543170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.543170 (E_RNA)
where:
Base-Base interactions energy: -1215.569
where: short stacking energy: -498.804
Base-Backbone interact. energy: 0.062
local terms energy: -540.036125
where:
bonds (distance) C4'-P energy: -97.307
bonds (distance) P-C4' energy: -116.791
flat angles C4'-P-C4' energy: -122.809
flat angles P-C4'-P energy: -61.757
tors. eta vs tors. theta energy: -141.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1576.507778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.507778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.507778 (E_RNA)
where:
Base-Base interactions energy: -1052.580
where: short stacking energy: -448.645
Base-Backbone interact. energy: -1.331
local terms energy: -522.597172
where:
bonds (distance) C4'-P energy: -92.833
bonds (distance) P-C4' energy: -110.810
flat angles C4'-P-C4' energy: -114.925
flat angles P-C4'-P energy: -81.385
tors. eta vs tors. theta energy: -122.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1570.439898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.439898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.439898 (E_RNA)
where:
Base-Base interactions energy: -1078.903
where: short stacking energy: -437.910
Base-Backbone interact. energy: -2.868
local terms energy: -488.668739
where:
bonds (distance) C4'-P energy: -100.716
bonds (distance) P-C4' energy: -88.505
flat angles C4'-P-C4' energy: -106.232
flat angles P-C4'-P energy: -61.893
tors. eta vs tors. theta energy: -131.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1466.879386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.879386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.879386 (E_RNA)
where:
Base-Base interactions energy: -996.857
where: short stacking energy: -411.089
Base-Backbone interact. energy: 2.490
local terms energy: -472.512169
where:
bonds (distance) C4'-P energy: -98.649
bonds (distance) P-C4' energy: -95.121
flat angles C4'-P-C4' energy: -100.730
flat angles P-C4'-P energy: -78.116
tors. eta vs tors. theta energy: -99.896
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: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1453.456437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.456437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.456437 (E_RNA)
where:
Base-Base interactions energy: -976.305
where: short stacking energy: -415.530
Base-Backbone interact. energy: -2.443
local terms energy: -474.709090
where:
bonds (distance) C4'-P energy: -94.399
bonds (distance) P-C4' energy: -106.377
flat angles C4'-P-C4' energy: -102.433
flat angles P-C4'-P energy: -54.917
tors. eta vs tors. theta energy: -116.583
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: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1239.383155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.383155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.383155 (E_RNA)
where:
Base-Base interactions energy: -817.264
where: short stacking energy: -345.841
Base-Backbone interact. energy: -0.315
local terms energy: -421.803929
where:
bonds (distance) C4'-P energy: -81.285
bonds (distance) P-C4' energy: -86.357
flat angles C4'-P-C4' energy: -103.948
flat angles P-C4'-P energy: -72.566
tors. eta vs tors. theta energy: -77.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1111.470335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.470335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.470335 (E_RNA)
where:
Base-Base interactions energy: -767.760
where: short stacking energy: -306.396
Base-Backbone interact. energy: -0.643
local terms energy: -343.067005
where:
bonds (distance) C4'-P energy: -90.632
bonds (distance) P-C4' energy: -73.070
flat angles C4'-P-C4' energy: -69.717
flat angles P-C4'-P energy: -58.821
tors. eta vs tors. theta energy: -50.827
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: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -691.638268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.638268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.638268 (E_RNA)
where:
Base-Base interactions energy: -369.077
where: short stacking energy: -190.798
Base-Backbone interact. energy: 0.686
local terms energy: -323.247043
where:
bonds (distance) C4'-P energy: -77.312
bonds (distance) P-C4' energy: -95.778
flat angles C4'-P-C4' energy: -86.400
flat angles P-C4'-P energy: -41.976
tors. eta vs tors. theta energy: -21.780
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: 42
Temperature: 0.900000
Total energy: -1855.279539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.279539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.279539 (E_RNA)
where:
Base-Base interactions energy: -1285.070
where: short stacking energy: -545.873
Base-Backbone interact. energy: -3.808
local terms energy: -566.400723
where:
bonds (distance) C4'-P energy: -109.987
bonds (distance) P-C4' energy: -115.262
flat angles C4'-P-C4' energy: -115.708
flat angles P-C4'-P energy: -68.179
tors. eta vs tors. theta energy: -157.264
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: 42
Temperature: 0.950000
Total energy: -1830.636012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.636012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.636012 (E_RNA)
where:
Base-Base interactions energy: -1280.154
where: short stacking energy: -529.424
Base-Backbone interact. energy: -4.076
local terms energy: -546.406120
where:
bonds (distance) C4'-P energy: -95.789
bonds (distance) P-C4' energy: -96.462
flat angles C4'-P-C4' energy: -123.895
flat angles P-C4'-P energy: -76.642
tors. eta vs tors. theta energy: -153.618
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: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1717.911028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.911028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.911028 (E_RNA)
where:
Base-Base interactions energy: -1181.440
where: short stacking energy: -494.827
Base-Backbone interact. energy: -2.537
local terms energy: -533.934183
where:
bonds (distance) C4'-P energy: -100.566
bonds (distance) P-C4' energy: -99.261
flat angles C4'-P-C4' energy: -121.864
flat angles P-C4'-P energy: -80.142
tors. eta vs tors. theta energy: -132.101
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: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1572.649606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.649606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.649606 (E_RNA)
where:
Base-Base interactions energy: -1076.374
where: short stacking energy: -440.533
Base-Backbone interact. energy: -0.921
local terms energy: -495.354106
where:
bonds (distance) C4'-P energy: -95.277
bonds (distance) P-C4' energy: -98.012
flat angles C4'-P-C4' energy: -109.774
flat angles P-C4'-P energy: -74.266
tors. eta vs tors. theta energy: -118.024
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: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1574.213491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.213491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.213491 (E_RNA)
where:
Base-Base interactions energy: -1094.863
where: short stacking energy: -455.177
Base-Backbone interact. energy: 0.109
local terms energy: -479.459546
where:
bonds (distance) C4'-P energy: -92.427
bonds (distance) P-C4' energy: -89.690
flat angles C4'-P-C4' energy: -116.002
flat angles P-C4'-P energy: -63.889
tors. eta vs tors. theta energy: -117.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1484.313923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.313923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.313923 (E_RNA)
where:
Base-Base interactions energy: -999.205
where: short stacking energy: -428.814
Base-Backbone interact. energy: -2.355
local terms energy: -482.753647
where:
bonds (distance) C4'-P energy: -96.604
bonds (distance) P-C4' energy: -101.100
flat angles C4'-P-C4' energy: -94.944
flat angles P-C4'-P energy: -74.446
tors. eta vs tors. theta energy: -115.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1380.583375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.583375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.583375 (E_RNA)
where:
Base-Base interactions energy: -935.110
where: short stacking energy: -413.604
Base-Backbone interact. energy: -1.334
local terms energy: -444.139277
where:
bonds (distance) C4'-P energy: -95.075
bonds (distance) P-C4' energy: -92.976
flat angles C4'-P-C4' energy: -85.028
flat angles P-C4'-P energy: -64.680
tors. eta vs tors. theta energy: -106.381
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: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1241.324542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.324542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.324542 (E_RNA)
where:
Base-Base interactions energy: -811.530
where: short stacking energy: -343.087
Base-Backbone interact. energy: -3.055
local terms energy: -426.740327
where:
bonds (distance) C4'-P energy: -90.195
bonds (distance) P-C4' energy: -93.935
flat angles C4'-P-C4' energy: -96.842
flat angles P-C4'-P energy: -57.970
tors. eta vs tors. theta energy: -87.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1049.694290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.694290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.694290 (E_RNA)
where:
Base-Base interactions energy: -682.508
where: short stacking energy: -295.505
Base-Backbone interact. energy: 0.118
local terms energy: -367.304446
where:
bonds (distance) C4'-P energy: -82.481
bonds (distance) P-C4' energy: -85.450
flat angles C4'-P-C4' energy: -100.902
flat angles P-C4'-P energy: -45.056
tors. eta vs tors. theta energy: -53.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -710.168565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.168565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.168565 (E_RNA)
where:
Base-Base interactions energy: -391.090
where: short stacking energy: -187.543
Base-Backbone interact. energy: -1.721
local terms energy: -317.357468
where:
bonds (distance) C4'-P energy: -92.399
bonds (distance) P-C4' energy: -102.371
flat angles C4'-P-C4' energy: -75.294
flat angles P-C4'-P energy: -37.366
tors. eta vs tors. theta energy: -9.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1895.673279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.673279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.673279 (E_RNA)
where:
Base-Base interactions energy: -1302.602
where: short stacking energy: -561.137
Base-Backbone interact. energy: -4.357
local terms energy: -588.713786
where:
bonds (distance) C4'-P energy: -115.859
bonds (distance) P-C4' energy: -108.606
flat angles C4'-P-C4' energy: -123.654
flat angles P-C4'-P energy: -77.802
tors. eta vs tors. theta energy: -162.792
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: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1822.697761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.697761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.697761 (E_RNA)
where:
Base-Base interactions energy: -1253.337
where: short stacking energy: -515.570
Base-Backbone interact. energy: -3.401
local terms energy: -565.959461
where:
bonds (distance) C4'-P energy: -98.109
bonds (distance) P-C4' energy: -112.843
flat angles C4'-P-C4' energy: -120.075
flat angles P-C4'-P energy: -77.971
tors. eta vs tors. theta energy: -156.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1714.065668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.065668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.065668 (E_RNA)
where:
Base-Base interactions energy: -1178.191
where: short stacking energy: -467.443
Base-Backbone interact. energy: -1.497
local terms energy: -534.377069
where:
bonds (distance) C4'-P energy: -111.187
bonds (distance) P-C4' energy: -102.729
flat angles C4'-P-C4' energy: -126.142
flat angles P-C4'-P energy: -70.061
tors. eta vs tors. theta energy: -124.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1604.829185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.829185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.829185 (E_RNA)
where:
Base-Base interactions energy: -1059.482
where: short stacking energy: -458.157
Base-Backbone interact. energy: -2.830
local terms energy: -542.517733
where:
bonds (distance) C4'-P energy: -112.524
bonds (distance) P-C4' energy: -101.854
flat angles C4'-P-C4' energy: -114.438
flat angles P-C4'-P energy: -88.019
tors. eta vs tors. theta energy: -125.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1531.839479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.839479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.839479 (E_RNA)
where:
Base-Base interactions energy: -1019.961
where: short stacking energy: -429.470
Base-Backbone interact. energy: -1.432
local terms energy: -510.446281
where:
bonds (distance) C4'-P energy: -107.492
bonds (distance) P-C4' energy: -95.566
flat angles C4'-P-C4' energy: -121.630
flat angles P-C4'-P energy: -76.031
tors. eta vs tors. theta energy: -109.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1467.263356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.263356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.263356 (E_RNA)
where:
Base-Base interactions energy: -1028.884
where: short stacking energy: -434.088
Base-Backbone interact. energy: -3.126
local terms energy: -435.253225
where:
bonds (distance) C4'-P energy: -63.321
bonds (distance) P-C4' energy: -98.779
flat angles C4'-P-C4' energy: -118.833
flat angles P-C4'-P energy: -60.819
tors. eta vs tors. theta energy: -93.501
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: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1390.865183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.865183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.865183 (E_RNA)
where:
Base-Base interactions energy: -958.347
where: short stacking energy: -413.504
Base-Backbone interact. energy: 2.368
local terms energy: -434.886026
where:
bonds (distance) C4'-P energy: -85.510
bonds (distance) P-C4' energy: -90.659
flat angles C4'-P-C4' energy: -92.884
flat angles P-C4'-P energy: -60.159
tors. eta vs tors. theta energy: -105.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1228.830526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.830526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.830526 (E_RNA)
where:
Base-Base interactions energy: -822.678
where: short stacking energy: -340.432
Base-Backbone interact. energy: -0.206
local terms energy: -405.945816
where:
bonds (distance) C4'-P energy: -81.727
bonds (distance) P-C4' energy: -83.468
flat angles C4'-P-C4' energy: -120.712
flat angles P-C4'-P energy: -40.665
tors. eta vs tors. theta energy: -79.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1044.944752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.944752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.944752 (E_RNA)
where:
Base-Base interactions energy: -683.825
where: short stacking energy: -300.894
Base-Backbone interact. energy: 2.634
local terms energy: -363.753583
where:
bonds (distance) C4'-P energy: -77.468
bonds (distance) P-C4' energy: -76.787
flat angles C4'-P-C4' energy: -98.372
flat angles P-C4'-P energy: -46.118
tors. eta vs tors. theta energy: -65.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -747.935233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.935233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.935233 (E_RNA)
where:
Base-Base interactions energy: -417.173
where: short stacking energy: -222.938
Base-Backbone interact. energy: 2.537
local terms energy: -333.299391
where:
bonds (distance) C4'-P energy: -106.836
bonds (distance) P-C4' energy: -96.155
flat angles C4'-P-C4' energy: -76.838
flat angles P-C4'-P energy: -39.941
tors. eta vs tors. theta energy: -13.528
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: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1884.655772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.655772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.655772 (E_RNA)
where:
Base-Base interactions energy: -1292.822
where: short stacking energy: -547.787
Base-Backbone interact. energy: -2.999
local terms energy: -588.835617
where:
bonds (distance) C4'-P energy: -100.935
bonds (distance) P-C4' energy: -113.632
flat angles C4'-P-C4' energy: -133.693
flat angles P-C4'-P energy: -81.719
tors. eta vs tors. theta energy: -158.856
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: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1803.460641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.460641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.460641 (E_RNA)
where:
Base-Base interactions energy: -1264.402
where: short stacking energy: -525.237
Base-Backbone interact. energy: -4.063
local terms energy: -534.996188
where:
bonds (distance) C4'-P energy: -109.600
bonds (distance) P-C4' energy: -96.674
flat angles C4'-P-C4' energy: -112.434
flat angles P-C4'-P energy: -76.846
tors. eta vs tors. theta energy: -139.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1758.384414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.384414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.384414 (E_RNA)
where:
Base-Base interactions energy: -1216.620
where: short stacking energy: -494.619
Base-Backbone interact. energy: 1.025
local terms energy: -542.789507
where:
bonds (distance) C4'-P energy: -106.148
bonds (distance) P-C4' energy: -110.679
flat angles C4'-P-C4' energy: -119.125
flat angles P-C4'-P energy: -66.185
tors. eta vs tors. theta energy: -140.652
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: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1590.222374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.222374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.222374 (E_RNA)
where:
Base-Base interactions energy: -1081.227
where: short stacking energy: -463.536
Base-Backbone interact. energy: -3.979
local terms energy: -505.016952
where:
bonds (distance) C4'-P energy: -102.734
bonds (distance) P-C4' energy: -85.684
flat angles C4'-P-C4' energy: -116.879
flat angles P-C4'-P energy: -72.752
tors. eta vs tors. theta energy: -126.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1463.394748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.394748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.394748 (E_RNA)
where:
Base-Base interactions energy: -976.799
where: short stacking energy: -423.487
Base-Backbone interact. energy: 4.539
local terms energy: -491.135164
where:
bonds (distance) C4'-P energy: -95.418
bonds (distance) P-C4' energy: -99.982
flat angles C4'-P-C4' energy: -112.655
flat angles P-C4'-P energy: -66.681
tors. eta vs tors. theta energy: -116.399
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: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1479.365163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.365163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.365163 (E_RNA)
where:
Base-Base interactions energy: -1007.788
where: short stacking energy: -437.299
Base-Backbone interact. energy: 0.562
local terms energy: -472.139711
where:
bonds (distance) C4'-P energy: -82.831
bonds (distance) P-C4' energy: -107.534
flat angles C4'-P-C4' energy: -107.875
flat angles P-C4'-P energy: -72.375
tors. eta vs tors. theta energy: -101.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1352.783623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.783623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.783623 (E_RNA)
where:
Base-Base interactions energy: -894.279
where: short stacking energy: -370.369
Base-Backbone interact. energy: -0.083
local terms energy: -458.421074
where:
bonds (distance) C4'-P energy: -104.017
bonds (distance) P-C4' energy: -88.685
flat angles C4'-P-C4' energy: -102.749
flat angles P-C4'-P energy: -66.314
tors. eta vs tors. theta energy: -96.655
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: 44
Temperature: 1.250000
Total energy: -1267.320418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.320418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.320418 (E_RNA)
where:
Base-Base interactions energy: -827.938
where: short stacking energy: -354.653
Base-Backbone interact. energy: -0.099
local terms energy: -439.283384
where:
bonds (distance) C4'-P energy: -99.566
bonds (distance) P-C4' energy: -88.022
flat angles C4'-P-C4' energy: -100.209
flat angles P-C4'-P energy: -61.402
tors. eta vs tors. theta energy: -90.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -1081.022337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.022337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.022337 (E_RNA)
where:
Base-Base interactions energy: -698.733
where: short stacking energy: -296.060
Base-Backbone interact. energy: 2.499
local terms energy: -384.788410
where:
bonds (distance) C4'-P energy: -77.727
bonds (distance) P-C4' energy: -85.504
flat angles C4'-P-C4' energy: -98.318
flat angles P-C4'-P energy: -62.941
tors. eta vs tors. theta energy: -60.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -757.927454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.927454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.927454 (E_RNA)
where:
Base-Base interactions energy: -426.021
where: short stacking energy: -212.360
Base-Backbone interact. energy: -0.292
local terms energy: -331.615063
where:
bonds (distance) C4'-P energy: -87.767
bonds (distance) P-C4' energy: -89.211
flat angles C4'-P-C4' energy: -77.587
flat angles P-C4'-P energy: -49.113
tors. eta vs tors. theta energy: -27.938
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: 45
Temperature: 0.900000
Total energy: -1910.135483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.135483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.135483 (E_RNA)
where:
Base-Base interactions energy: -1332.924
where: short stacking energy: -547.318
Base-Backbone interact. energy: -0.917
local terms energy: -576.294995
where:
bonds (distance) C4'-P energy: -107.301
bonds (distance) P-C4' energy: -117.864
flat angles C4'-P-C4' energy: -120.065
flat angles P-C4'-P energy: -79.056
tors. eta vs tors. theta energy: -152.008
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: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1827.721525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.721525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.721525 (E_RNA)
where:
Base-Base interactions energy: -1250.468
where: short stacking energy: -504.759
Base-Backbone interact. energy: 0.249
local terms energy: -577.502467
where:
bonds (distance) C4'-P energy: -115.467
bonds (distance) P-C4' energy: -109.215
flat angles C4'-P-C4' energy: -123.549
flat angles P-C4'-P energy: -73.529
tors. eta vs tors. theta energy: -155.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1798.993416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.993416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.993416 (E_RNA)
where:
Base-Base interactions energy: -1244.100
where: short stacking energy: -500.053
Base-Backbone interact. energy: -3.019
local terms energy: -551.875020
where:
bonds (distance) C4'-P energy: -105.748
bonds (distance) P-C4' energy: -97.818
flat angles C4'-P-C4' energy: -123.327
flat angles P-C4'-P energy: -73.037
tors. eta vs tors. theta energy: -151.946
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: 45
Temperature: 1.050000
Total energy: -1600.520569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.520569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.520569 (E_RNA)
where:
Base-Base interactions energy: -1097.678
where: short stacking energy: -458.818
Base-Backbone interact. energy: 0.887
local terms energy: -503.729890
where:
bonds (distance) C4'-P energy: -82.290
bonds (distance) P-C4' energy: -106.068
flat angles C4'-P-C4' energy: -118.275
flat angles P-C4'-P energy: -74.235
tors. eta vs tors. theta energy: -122.862
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: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1519.480612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.480612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.480612 (E_RNA)
where:
Base-Base interactions energy: -1047.130
where: short stacking energy: -423.716
Base-Backbone interact. energy: -0.348
local terms energy: -472.002265
where:
bonds (distance) C4'-P energy: -84.456
bonds (distance) P-C4' energy: -101.443
flat angles C4'-P-C4' energy: -100.229
flat angles P-C4'-P energy: -73.566
tors. eta vs tors. theta energy: -112.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1481.804507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.804507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.804507 (E_RNA)
where:
Base-Base interactions energy: -1007.289
where: short stacking energy: -427.403
Base-Backbone interact. energy: -0.460
local terms energy: -474.055031
where:
bonds (distance) C4'-P energy: -92.795
bonds (distance) P-C4' energy: -93.471
flat angles C4'-P-C4' energy: -122.052
flat angles P-C4'-P energy: -57.229
tors. eta vs tors. theta energy: -108.508
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1366.273292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.273292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.273292 (E_RNA)
where:
Base-Base interactions energy: -918.129
where: short stacking energy: -390.010
Base-Backbone interact. energy: 0.717
local terms energy: -448.861125
where:
bonds (distance) C4'-P energy: -91.633
bonds (distance) P-C4' energy: -102.753
flat angles C4'-P-C4' energy: -92.124
flat angles P-C4'-P energy: -65.668
tors. eta vs tors. theta energy: -96.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1269.569089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.569089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.569089 (E_RNA)
where:
Base-Base interactions energy: -837.253
where: short stacking energy: -371.471
Base-Backbone interact. energy: 0.480
local terms energy: -432.796111
where:
bonds (distance) C4'-P energy: -104.226
bonds (distance) P-C4' energy: -98.929
flat angles C4'-P-C4' energy: -95.248
flat angles P-C4'-P energy: -52.937
tors. eta vs tors. theta energy: -81.456
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: 45
Temperature: 1.300000
Total energy: -1135.110558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.110558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.110558 (E_RNA)
where:
Base-Base interactions energy: -741.172
where: short stacking energy: -307.180
Base-Backbone interact. energy: 5.810
local terms energy: -399.748591
where:
bonds (distance) C4'-P energy: -86.536
bonds (distance) P-C4' energy: -101.708
flat angles C4'-P-C4' energy: -92.222
flat angles P-C4'-P energy: -58.252
tors. eta vs tors. theta energy: -61.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -716.306655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.306655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.306655 (E_RNA)
where:
Base-Base interactions energy: -383.219
where: short stacking energy: -191.436
Base-Backbone interact. energy: 0.045
local terms energy: -333.132045
where:
bonds (distance) C4'-P energy: -88.257
bonds (distance) P-C4' energy: -91.520
flat angles C4'-P-C4' energy: -87.850
flat angles P-C4'-P energy: -50.257
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1876.595210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.595210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.595210 (E_RNA)
where:
Base-Base interactions energy: -1300.418
where: short stacking energy: -550.986
Base-Backbone interact. energy: -1.519
local terms energy: -574.657744
where:
bonds (distance) C4'-P energy: -114.592
bonds (distance) P-C4' energy: -111.991
flat angles C4'-P-C4' energy: -111.448
flat angles P-C4'-P energy: -77.653
tors. eta vs tors. theta energy: -158.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1830.557424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.557424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.557424 (E_RNA)
where:
Base-Base interactions energy: -1259.335
where: short stacking energy: -532.050
Base-Backbone interact. energy: -4.331
local terms energy: -566.890796
where:
bonds (distance) C4'-P energy: -111.861
bonds (distance) P-C4' energy: -104.969
flat angles C4'-P-C4' energy: -119.233
flat angles P-C4'-P energy: -75.110
tors. eta vs tors. theta energy: -155.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1776.248691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.248691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.248691 (E_RNA)
where:
Base-Base interactions energy: -1224.687
where: short stacking energy: -485.785
Base-Backbone interact. energy: -1.632
local terms energy: -549.930066
where:
bonds (distance) C4'-P energy: -112.351
bonds (distance) P-C4' energy: -106.946
flat angles C4'-P-C4' energy: -119.585
flat angles P-C4'-P energy: -69.581
tors. eta vs tors. theta energy: -141.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1579.696497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.696497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.696497 (E_RNA)
where:
Base-Base interactions energy: -1058.617
where: short stacking energy: -452.113
Base-Backbone interact. energy: -2.464
local terms energy: -518.615375
where:
bonds (distance) C4'-P energy: -120.608
bonds (distance) P-C4' energy: -103.750
flat angles C4'-P-C4' energy: -107.553
flat angles P-C4'-P energy: -73.376
tors. eta vs tors. theta energy: -113.328
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: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1509.061125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.061125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.061125 (E_RNA)
where:
Base-Base interactions energy: -1026.854
where: short stacking energy: -424.397
Base-Backbone interact. energy: -1.601
local terms energy: -480.606259
where:
bonds (distance) C4'-P energy: -89.141
bonds (distance) P-C4' energy: -99.807
flat angles C4'-P-C4' energy: -109.596
flat angles P-C4'-P energy: -65.702
tors. eta vs tors. theta energy: -116.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1447.652414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.652414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.652414 (E_RNA)
where:
Base-Base interactions energy: -986.391
where: short stacking energy: -409.875
Base-Backbone interact. energy: 1.301
local terms energy: -462.562818
where:
bonds (distance) C4'-P energy: -96.215
bonds (distance) P-C4' energy: -100.685
flat angles C4'-P-C4' energy: -88.113
flat angles P-C4'-P energy: -70.444
tors. eta vs tors. theta energy: -107.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1318.225367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.225367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.225367 (E_RNA)
where:
Base-Base interactions energy: -911.823
where: short stacking energy: -392.252
Base-Backbone interact. energy: 4.109
local terms energy: -410.511138
where:
bonds (distance) C4'-P energy: -72.959
bonds (distance) P-C4' energy: -100.983
flat angles C4'-P-C4' energy: -89.535
flat angles P-C4'-P energy: -51.931
tors. eta vs tors. theta energy: -95.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1275.786264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.786264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.786264 (E_RNA)
where:
Base-Base interactions energy: -861.524
where: short stacking energy: -379.799
Base-Backbone interact. energy: -0.479
local terms energy: -413.783688
where:
bonds (distance) C4'-P energy: -89.890
bonds (distance) P-C4' energy: -79.537
flat angles C4'-P-C4' energy: -96.814
flat angles P-C4'-P energy: -53.506
tors. eta vs tors. theta energy: -94.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1149.260557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.260557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.260557 (E_RNA)
where:
Base-Base interactions energy: -738.802
where: short stacking energy: -305.542
Base-Backbone interact. energy: -0.186
local terms energy: -410.272404
where:
bonds (distance) C4'-P energy: -95.409
bonds (distance) P-C4' energy: -91.464
flat angles C4'-P-C4' energy: -87.297
flat angles P-C4'-P energy: -62.665
tors. eta vs tors. theta energy: -73.438
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: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -724.305878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.305878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.305878 (E_RNA)
where:
Base-Base interactions energy: -409.347
where: short stacking energy: -182.383
Base-Backbone interact. energy: -0.893
local terms energy: -314.065865
where:
bonds (distance) C4'-P energy: -73.621
bonds (distance) P-C4' energy: -86.650
flat angles C4'-P-C4' energy: -85.662
flat angles P-C4'-P energy: -54.624
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1877.200618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.200618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.200618 (E_RNA)
where:
Base-Base interactions energy: -1284.917
where: short stacking energy: -534.349
Base-Backbone interact. energy: -1.519
local terms energy: -590.764644
where:
bonds (distance) C4'-P energy: -115.599
bonds (distance) P-C4' energy: -110.109
flat angles C4'-P-C4' energy: -118.169
flat angles P-C4'-P energy: -84.774
tors. eta vs tors. theta energy: -162.113
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: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1842.238734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.238734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.238734 (E_RNA)
where:
Base-Base interactions energy: -1296.041
where: short stacking energy: -552.409
Base-Backbone interact. energy: -4.256
local terms energy: -541.941226
where:
bonds (distance) C4'-P energy: -97.398
bonds (distance) P-C4' energy: -101.730
flat angles C4'-P-C4' energy: -116.924
flat angles P-C4'-P energy: -71.403
tors. eta vs tors. theta energy: -154.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1746.496546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.496546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.496546 (E_RNA)
where:
Base-Base interactions energy: -1209.816
where: short stacking energy: -497.812
Base-Backbone interact. energy: -4.485
local terms energy: -532.195778
where:
bonds (distance) C4'-P energy: -101.046
bonds (distance) P-C4' energy: -90.946
flat angles C4'-P-C4' energy: -125.518
flat angles P-C4'-P energy: -83.064
tors. eta vs tors. theta energy: -131.622
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: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1550.065070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.065070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.065070 (E_RNA)
where:
Base-Base interactions energy: -1050.027
where: short stacking energy: -440.998
Base-Backbone interact. energy: -2.696
local terms energy: -497.342112
where:
bonds (distance) C4'-P energy: -99.526
bonds (distance) P-C4' energy: -94.455
flat angles C4'-P-C4' energy: -113.697
flat angles P-C4'-P energy: -69.380
tors. eta vs tors. theta energy: -120.284
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: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1524.587454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.587454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.587454 (E_RNA)
where:
Base-Base interactions energy: -1047.728
where: short stacking energy: -434.324
Base-Backbone interact. energy: -1.714
local terms energy: -475.144622
where:
bonds (distance) C4'-P energy: -86.165
bonds (distance) P-C4' energy: -88.126
flat angles C4'-P-C4' energy: -120.130
flat angles P-C4'-P energy: -68.250
tors. eta vs tors. theta energy: -112.474
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: 6, replica: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1474.159418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.159418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.159418 (E_RNA)
where:
Base-Base interactions energy: -983.015
where: short stacking energy: -424.266
Base-Backbone interact. energy: -2.155
local terms energy: -488.990215
where:
bonds (distance) C4'-P energy: -91.689
bonds (distance) P-C4' energy: -108.717
flat angles C4'-P-C4' energy: -103.835
flat angles P-C4'-P energy: -76.539
tors. eta vs tors. theta energy: -108.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1329.815959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.815959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.815959 (E_RNA)
where:
Base-Base interactions energy: -918.307
where: short stacking energy: -389.431
Base-Backbone interact. energy: -2.013
local terms energy: -409.496051
where:
bonds (distance) C4'-P energy: -74.888
bonds (distance) P-C4' energy: -103.759
flat angles C4'-P-C4' energy: -91.964
flat angles P-C4'-P energy: -57.531
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: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1197.066949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.066949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.066949 (E_RNA)
where:
Base-Base interactions energy: -796.259
where: short stacking energy: -350.205
Base-Backbone interact. energy: 1.676
local terms energy: -402.483950
where:
bonds (distance) C4'-P energy: -82.444
bonds (distance) P-C4' energy: -79.743
flat angles C4'-P-C4' energy: -94.762
flat angles P-C4'-P energy: -74.659
tors. eta vs tors. theta energy: -70.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1209.400800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.400800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.400800 (E_RNA)
where:
Base-Base interactions energy: -804.616
where: short stacking energy: -339.237
Base-Backbone interact. energy: -0.593
local terms energy: -404.191505
where:
bonds (distance) C4'-P energy: -92.704
bonds (distance) P-C4' energy: -83.680
flat angles C4'-P-C4' energy: -87.265
flat angles P-C4'-P energy: -66.259
tors. eta vs tors. theta energy: -74.284
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: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -720.218006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.218006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.218006 (E_RNA)
where:
Base-Base interactions energy: -411.702
where: short stacking energy: -188.961
Base-Backbone interact. energy: 0.774
local terms energy: -309.289951
where:
bonds (distance) C4'-P energy: -70.496
bonds (distance) P-C4' energy: -87.267
flat angles C4'-P-C4' energy: -77.946
flat angles P-C4'-P energy: -50.142
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: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1878.653176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.653176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.653176 (E_RNA)
where:
Base-Base interactions energy: -1316.975
where: short stacking energy: -554.645
Base-Backbone interact. energy: 1.515
local terms energy: -563.193003
where:
bonds (distance) C4'-P energy: -96.057
bonds (distance) P-C4' energy: -105.778
flat angles C4'-P-C4' energy: -121.668
flat angles P-C4'-P energy: -81.133
tors. eta vs tors. theta energy: -158.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1766.404412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.404412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.404412 (E_RNA)
where:
Base-Base interactions energy: -1212.444
where: short stacking energy: -479.196
Base-Backbone interact. energy: -0.877
local terms energy: -553.083692
where:
bonds (distance) C4'-P energy: -92.390
bonds (distance) P-C4' energy: -110.720
flat angles C4'-P-C4' energy: -122.484
flat angles P-C4'-P energy: -83.852
tors. eta vs tors. theta energy: -143.638
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: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1733.875867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.875867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.875867 (E_RNA)
where:
Base-Base interactions energy: -1174.399
where: short stacking energy: -511.806
Base-Backbone interact. energy: -3.891
local terms energy: -555.585585
where:
bonds (distance) C4'-P energy: -100.810
bonds (distance) P-C4' energy: -106.456
flat angles C4'-P-C4' energy: -113.604
flat angles P-C4'-P energy: -83.198
tors. eta vs tors. theta energy: -151.518
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: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1591.959573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.959573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.959573 (E_RNA)
where:
Base-Base interactions energy: -1094.791
where: short stacking energy: -478.708
Base-Backbone interact. energy: -1.283
local terms energy: -495.885079
where:
bonds (distance) C4'-P energy: -94.689
bonds (distance) P-C4' energy: -109.829
flat angles C4'-P-C4' energy: -100.798
flat angles P-C4'-P energy: -72.502
tors. eta vs tors. theta energy: -118.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1534.823980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.823980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.823980 (E_RNA)
where:
Base-Base interactions energy: -1038.833
where: short stacking energy: -450.442
Base-Backbone interact. energy: 0.760
local terms energy: -496.750411
where:
bonds (distance) C4'-P energy: -86.039
bonds (distance) P-C4' energy: -96.732
flat angles C4'-P-C4' energy: -105.629
flat angles P-C4'-P energy: -79.931
tors. eta vs tors. theta energy: -128.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1462.504642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.504642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.504642 (E_RNA)
where:
Base-Base interactions energy: -1002.409
where: short stacking energy: -432.716
Base-Backbone interact. energy: -2.499
local terms energy: -457.597050
where:
bonds (distance) C4'-P energy: -94.976
bonds (distance) P-C4' energy: -100.144
flat angles C4'-P-C4' energy: -93.811
flat angles P-C4'-P energy: -59.209
tors. eta vs tors. theta energy: -109.457
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: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1368.457531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.457531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.457531 (E_RNA)
where:
Base-Base interactions energy: -917.255
where: short stacking energy: -403.512
Base-Backbone interact. energy: -2.461
local terms energy: -448.740899
where:
bonds (distance) C4'-P energy: -75.463
bonds (distance) P-C4' energy: -78.929
flat angles C4'-P-C4' energy: -112.811
flat angles P-C4'-P energy: -58.691
tors. eta vs tors. theta energy: -122.847
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: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1171.959079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.959079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.959079 (E_RNA)
where:
Base-Base interactions energy: -763.657
where: short stacking energy: -323.725
Base-Backbone interact. energy: -2.312
local terms energy: -405.989832
where:
bonds (distance) C4'-P energy: -77.515
bonds (distance) P-C4' energy: -97.642
flat angles C4'-P-C4' energy: -95.333
flat angles P-C4'-P energy: -63.840
tors. eta vs tors. theta energy: -71.660
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: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1190.233554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.233554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.233554 (E_RNA)
where:
Base-Base interactions energy: -795.385
where: short stacking energy: -347.430
Base-Backbone interact. energy: 0.428
local terms energy: -395.275994
where:
bonds (distance) C4'-P energy: -87.660
bonds (distance) P-C4' energy: -77.560
flat angles C4'-P-C4' energy: -93.387
flat angles P-C4'-P energy: -58.826
tors. eta vs tors. theta energy: -77.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -709.884786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.884786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.884786 (E_RNA)
where:
Base-Base interactions energy: -378.516
where: short stacking energy: -186.429
Base-Backbone interact. energy: 1.549
local terms energy: -332.918370
where:
bonds (distance) C4'-P energy: -86.870
bonds (distance) P-C4' energy: -85.659
flat angles C4'-P-C4' energy: -86.598
flat angles P-C4'-P energy: -61.469
tors. eta vs tors. theta energy: -12.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1868.731079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.731079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.731079 (E_RNA)
where:
Base-Base interactions energy: -1287.768
where: short stacking energy: -536.506
Base-Backbone interact. energy: -4.856
local terms energy: -576.107238
where:
bonds (distance) C4'-P energy: -107.685
bonds (distance) P-C4' energy: -108.617
flat angles C4'-P-C4' energy: -118.399
flat angles P-C4'-P energy: -90.633
tors. eta vs tors. theta energy: -150.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1834.556653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.556653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.556653 (E_RNA)
where:
Base-Base interactions energy: -1264.635
where: short stacking energy: -522.929
Base-Backbone interact. energy: -5.252
local terms energy: -564.670247
where:
bonds (distance) C4'-P energy: -118.039
bonds (distance) P-C4' energy: -112.641
flat angles C4'-P-C4' energy: -121.133
flat angles P-C4'-P energy: -73.858
tors. eta vs tors. theta energy: -138.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1725.898727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.898727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.898727 (E_RNA)
where:
Base-Base interactions energy: -1197.051
where: short stacking energy: -484.961
Base-Backbone interact. energy: -3.449
local terms energy: -525.398715
where:
bonds (distance) C4'-P energy: -82.763
bonds (distance) P-C4' energy: -97.371
flat angles C4'-P-C4' energy: -117.293
flat angles P-C4'-P energy: -81.692
tors. eta vs tors. theta energy: -146.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1557.843477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.843477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.843477 (E_RNA)
where:
Base-Base interactions energy: -1070.432
where: short stacking energy: -451.516
Base-Backbone interact. energy: 0.961
local terms energy: -488.372699
where:
bonds (distance) C4'-P energy: -92.189
bonds (distance) P-C4' energy: -91.266
flat angles C4'-P-C4' energy: -119.258
flat angles P-C4'-P energy: -58.325
tors. eta vs tors. theta energy: -127.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1547.690680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.690680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.690680 (E_RNA)
where:
Base-Base interactions energy: -1042.822
where: short stacking energy: -425.256
Base-Backbone interact. energy: -1.117
local terms energy: -503.751335
where:
bonds (distance) C4'-P energy: -101.365
bonds (distance) P-C4' energy: -114.763
flat angles C4'-P-C4' energy: -107.461
flat angles P-C4'-P energy: -62.783
tors. eta vs tors. theta energy: -117.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1456.706846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.706846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.706846 (E_RNA)
where:
Base-Base interactions energy: -983.993
where: short stacking energy: -412.706
Base-Backbone interact. energy: -2.218
local terms energy: -470.495418
where:
bonds (distance) C4'-P energy: -90.793
bonds (distance) P-C4' energy: -97.942
flat angles C4'-P-C4' energy: -96.643
flat angles P-C4'-P energy: -80.025
tors. eta vs tors. theta energy: -105.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1408.942484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.942484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.942484 (E_RNA)
where:
Base-Base interactions energy: -956.019
where: short stacking energy: -417.851
Base-Backbone interact. energy: -1.566
local terms energy: -451.357423
where:
bonds (distance) C4'-P energy: -92.982
bonds (distance) P-C4' energy: -100.539
flat angles C4'-P-C4' energy: -96.583
flat angles P-C4'-P energy: -52.405
tors. eta vs tors. theta energy: -108.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1233.790814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.790814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.790814 (E_RNA)
where:
Base-Base interactions energy: -804.795
where: short stacking energy: -344.053
Base-Backbone interact. energy: 0.819
local terms energy: -429.815589
where:
bonds (distance) C4'-P energy: -92.777
bonds (distance) P-C4' energy: -94.107
flat angles C4'-P-C4' energy: -96.593
flat angles P-C4'-P energy: -58.680
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: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1113.020387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.020387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.020387 (E_RNA)
where:
Base-Base interactions energy: -724.991
where: short stacking energy: -294.965
Base-Backbone interact. energy: 4.348
local terms energy: -392.377206
where:
bonds (distance) C4'-P energy: -94.554
bonds (distance) P-C4' energy: -104.558
flat angles C4'-P-C4' energy: -79.167
flat angles P-C4'-P energy: -62.296
tors. eta vs tors. theta energy: -51.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -741.875809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.875809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.875809 (E_RNA)
where:
Base-Base interactions energy: -398.992
where: short stacking energy: -176.049
Base-Backbone interact. energy: 1.549
local terms energy: -344.432668
where:
bonds (distance) C4'-P energy: -94.044
bonds (distance) P-C4' energy: -108.011
flat angles C4'-P-C4' energy: -84.269
flat angles P-C4'-P energy: -49.879
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: 50
Temperature: 0.900000
Total energy: -1893.135593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.135593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.135593 (E_RNA)
where:
Base-Base interactions energy: -1330.195
where: short stacking energy: -548.581
Base-Backbone interact. energy: -2.740
local terms energy: -560.200320
where:
bonds (distance) C4'-P energy: -102.367
bonds (distance) P-C4' energy: -101.142
flat angles C4'-P-C4' energy: -120.817
flat angles P-C4'-P energy: -80.921
tors. eta vs tors. theta energy: -154.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1821.376209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.376209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.376209 (E_RNA)
where:
Base-Base interactions energy: -1252.300
where: short stacking energy: -530.632
Base-Backbone interact. energy: -0.160
local terms energy: -568.916458
where:
bonds (distance) C4'-P energy: -115.937
bonds (distance) P-C4' energy: -110.127
flat angles C4'-P-C4' energy: -113.952
flat angles P-C4'-P energy: -72.194
tors. eta vs tors. theta energy: -156.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1693.698996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.698996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.698996 (E_RNA)
where:
Base-Base interactions energy: -1175.976
where: short stacking energy: -512.075
Base-Backbone interact. energy: -1.497
local terms energy: -516.225572
where:
bonds (distance) C4'-P energy: -90.587
bonds (distance) P-C4' energy: -103.151
flat angles C4'-P-C4' energy: -101.629
flat angles P-C4'-P energy: -80.141
tors. eta vs tors. theta energy: -140.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1600.187386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.187386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.187386 (E_RNA)
where:
Base-Base interactions energy: -1076.902
where: short stacking energy: -450.460
Base-Backbone interact. energy: 0.697
local terms energy: -523.982530
where:
bonds (distance) C4'-P energy: -108.572
bonds (distance) P-C4' energy: -99.045
flat angles C4'-P-C4' energy: -127.270
flat angles P-C4'-P energy: -67.046
tors. eta vs tors. theta energy: -122.050
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: 50
Temperature: 1.100000
Total energy: -1591.500442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.500442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.500442 (E_RNA)
where:
Base-Base interactions energy: -1081.837
where: short stacking energy: -471.523
Base-Backbone interact. energy: -1.734
local terms energy: -507.929667
where:
bonds (distance) C4'-P energy: -92.715
bonds (distance) P-C4' energy: -89.260
flat angles C4'-P-C4' energy: -126.675
flat angles P-C4'-P energy: -59.469
tors. eta vs tors. theta energy: -139.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1456.359604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.359604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.359604 (E_RNA)
where:
Base-Base interactions energy: -1003.211
where: short stacking energy: -396.100
Base-Backbone interact. energy: 1.106
local terms energy: -454.254897
where:
bonds (distance) C4'-P energy: -101.219
bonds (distance) P-C4' energy: -97.020
flat angles C4'-P-C4' energy: -98.959
flat angles P-C4'-P energy: -58.259
tors. eta vs tors. theta energy: -98.798
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: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1377.556920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.556920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.556920 (E_RNA)
where:
Base-Base interactions energy: -929.671
where: short stacking energy: -402.256
Base-Backbone interact. energy: 1.869
local terms energy: -449.754709
where:
bonds (distance) C4'-P energy: -80.049
bonds (distance) P-C4' energy: -97.726
flat angles C4'-P-C4' energy: -101.759
flat angles P-C4'-P energy: -59.140
tors. eta vs tors. theta energy: -111.081
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: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1184.130729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.130729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.130729 (E_RNA)
where:
Base-Base interactions energy: -787.457
where: short stacking energy: -349.372
Base-Backbone interact. energy: -2.715
local terms energy: -393.958947
where:
bonds (distance) C4'-P energy: -54.489
bonds (distance) P-C4' energy: -105.813
flat angles C4'-P-C4' energy: -83.339
flat angles P-C4'-P energy: -59.951
tors. eta vs tors. theta energy: -90.367
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: 50
Temperature: 1.300000
Total energy: -1139.059588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.059588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.059588 (E_RNA)
where:
Base-Base interactions energy: -742.407
where: short stacking energy: -322.411
Base-Backbone interact. energy: 2.169
local terms energy: -398.821499
where:
bonds (distance) C4'-P energy: -88.588
bonds (distance) P-C4' energy: -96.689
flat angles C4'-P-C4' energy: -105.485
flat angles P-C4'-P energy: -36.455
tors. eta vs tors. theta energy: -71.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -753.262173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.262173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.262173 (E_RNA)
where:
Base-Base interactions energy: -432.870
where: short stacking energy: -198.367
Base-Backbone interact. energy: 1.704
local terms energy: -322.096411
where:
bonds (distance) C4'-P energy: -81.821
bonds (distance) P-C4' energy: -92.061
flat angles C4'-P-C4' energy: -90.966
flat angles P-C4'-P energy: -44.193
tors. eta vs tors. theta energy: -13.056
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: 51
Temperature: 0.900000
Total energy: -1847.864394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.864394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.864394 (E_RNA)
where:
Base-Base interactions energy: -1278.072
where: short stacking energy: -543.851
Base-Backbone interact. energy: -4.102
local terms energy: -565.690657
where:
bonds (distance) C4'-P energy: -110.935
bonds (distance) P-C4' energy: -105.553
flat angles C4'-P-C4' energy: -123.014
flat angles P-C4'-P energy: -75.875
tors. eta vs tors. theta energy: -150.314
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: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1768.759156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.759156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.759156 (E_RNA)
where:
Base-Base interactions energy: -1221.502
where: short stacking energy: -502.166
Base-Backbone interact. energy: -3.620
local terms energy: -543.637322
where:
bonds (distance) C4'-P energy: -106.940
bonds (distance) P-C4' energy: -100.445
flat angles C4'-P-C4' energy: -114.207
flat angles P-C4'-P energy: -77.657
tors. eta vs tors. theta energy: -144.389
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: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1737.936285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.936285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.936285 (E_RNA)
where:
Base-Base interactions energy: -1214.110
where: short stacking energy: -493.191
Base-Backbone interact. energy: -3.122
local terms energy: -520.704078
where:
bonds (distance) C4'-P energy: -107.245
bonds (distance) P-C4' energy: -98.035
flat angles C4'-P-C4' energy: -106.210
flat angles P-C4'-P energy: -68.733
tors. eta vs tors. theta energy: -140.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1626.500262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.500262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.500262 (E_RNA)
where:
Base-Base interactions energy: -1133.718
where: short stacking energy: -492.681
Base-Backbone interact. energy: -2.210
local terms energy: -490.572462
where:
bonds (distance) C4'-P energy: -72.808
bonds (distance) P-C4' energy: -94.580
flat angles C4'-P-C4' energy: -117.829
flat angles P-C4'-P energy: -85.992
tors. eta vs tors. theta energy: -119.363
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: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1589.769980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.769980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.769980 (E_RNA)
where:
Base-Base interactions energy: -1083.793
where: short stacking energy: -457.028
Base-Backbone interact. energy: -1.580
local terms energy: -504.397223
where:
bonds (distance) C4'-P energy: -96.865
bonds (distance) P-C4' energy: -98.779
flat angles C4'-P-C4' energy: -111.501
flat angles P-C4'-P energy: -58.259
tors. eta vs tors. theta energy: -138.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1452.736559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.736559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.736559 (E_RNA)
where:
Base-Base interactions energy: -973.798
where: short stacking energy: -407.184
Base-Backbone interact. energy: 2.661
local terms energy: -481.599679
where:
bonds (distance) C4'-P energy: -95.070
bonds (distance) P-C4' energy: -108.858
flat angles C4'-P-C4' energy: -95.854
flat angles P-C4'-P energy: -79.242
tors. eta vs tors. theta energy: -102.576
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: 51
Temperature: 1.200000
Total energy: -1403.614924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.614924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.614924 (E_RNA)
where:
Base-Base interactions energy: -939.933
where: short stacking energy: -391.968
Base-Backbone interact. energy: -0.200
local terms energy: -463.481838
where:
bonds (distance) C4'-P energy: -77.095
bonds (distance) P-C4' energy: -108.976
flat angles C4'-P-C4' energy: -109.899
flat angles P-C4'-P energy: -72.742
tors. eta vs tors. theta energy: -94.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1222.422624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.422624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.422624 (E_RNA)
where:
Base-Base interactions energy: -791.216
where: short stacking energy: -349.926
Base-Backbone interact. energy: 0.049
local terms energy: -431.255904
where:
bonds (distance) C4'-P energy: -103.125
bonds (distance) P-C4' energy: -87.107
flat angles C4'-P-C4' energy: -102.260
flat angles P-C4'-P energy: -55.703
tors. eta vs tors. theta energy: -83.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1129.164504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.164504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.164504 (E_RNA)
where:
Base-Base interactions energy: -746.844
where: short stacking energy: -320.817
Base-Backbone interact. energy: 6.158
local terms energy: -388.478352
where:
bonds (distance) C4'-P energy: -92.358
bonds (distance) P-C4' energy: -94.714
flat angles C4'-P-C4' energy: -78.287
flat angles P-C4'-P energy: -48.695
tors. eta vs tors. theta energy: -74.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -703.223184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.223184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.223184 (E_RNA)
where:
Base-Base interactions energy: -388.651
where: short stacking energy: -184.265
Base-Backbone interact. energy: 2.834
local terms energy: -317.406100
where:
bonds (distance) C4'-P energy: -77.660
bonds (distance) P-C4' energy: -94.867
flat angles C4'-P-C4' energy: -91.076
flat angles P-C4'-P energy: -55.960
tors. eta vs tors. theta energy: 2.156
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: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1834.871999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.871999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.871999 (E_RNA)
where:
Base-Base interactions energy: -1267.972
where: short stacking energy: -525.716
Base-Backbone interact. energy: -2.641
local terms energy: -564.258933
where:
bonds (distance) C4'-P energy: -95.049
bonds (distance) P-C4' energy: -115.165
flat angles C4'-P-C4' energy: -124.467
flat angles P-C4'-P energy: -84.432
tors. eta vs tors. theta energy: -145.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1811.313216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.313216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.313216 (E_RNA)
where:
Base-Base interactions energy: -1222.141
where: short stacking energy: -543.283
Base-Backbone interact. energy: -2.834
local terms energy: -586.337603
where:
bonds (distance) C4'-P energy: -103.625
bonds (distance) P-C4' energy: -118.564
flat angles C4'-P-C4' energy: -121.728
flat angles P-C4'-P energy: -81.460
tors. eta vs tors. theta energy: -160.961
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: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1731.482893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.482893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.482893 (E_RNA)
where:
Base-Base interactions energy: -1203.722
where: short stacking energy: -484.255
Base-Backbone interact. energy: -4.228
local terms energy: -523.533290
where:
bonds (distance) C4'-P energy: -104.700
bonds (distance) P-C4' energy: -115.777
flat angles C4'-P-C4' energy: -107.958
flat angles P-C4'-P energy: -63.075
tors. eta vs tors. theta energy: -132.023
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: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1630.831314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.831314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.831314 (E_RNA)
where:
Base-Base interactions energy: -1118.400
where: short stacking energy: -471.729
Base-Backbone interact. energy: -4.304
local terms energy: -508.128256
where:
bonds (distance) C4'-P energy: -112.360
bonds (distance) P-C4' energy: -100.035
flat angles C4'-P-C4' energy: -97.968
flat angles P-C4'-P energy: -73.057
tors. eta vs tors. theta energy: -124.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1520.083164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.083164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.083164 (E_RNA)
where:
Base-Base interactions energy: -1026.416
where: short stacking energy: -454.713
Base-Backbone interact. energy: -1.511
local terms energy: -492.156289
where:
bonds (distance) C4'-P energy: -93.108
bonds (distance) P-C4' energy: -98.987
flat angles C4'-P-C4' energy: -110.181
flat angles P-C4'-P energy: -60.084
tors. eta vs tors. theta energy: -129.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1490.109997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.109997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.109997 (E_RNA)
where:
Base-Base interactions energy: -1007.656
where: short stacking energy: -430.583
Base-Backbone interact. energy: -2.545
local terms energy: -479.908857
where:
bonds (distance) C4'-P energy: -88.209
bonds (distance) P-C4' energy: -87.246
flat angles C4'-P-C4' energy: -116.386
flat angles P-C4'-P energy: -72.479
tors. eta vs tors. theta energy: -115.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1435.005912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.005912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.005912 (E_RNA)
where:
Base-Base interactions energy: -985.261
where: short stacking energy: -425.963
Base-Backbone interact. energy: 1.965
local terms energy: -451.709745
where:
bonds (distance) C4'-P energy: -89.435
bonds (distance) P-C4' energy: -70.461
flat angles C4'-P-C4' energy: -119.646
flat angles P-C4'-P energy: -60.779
tors. eta vs tors. theta energy: -111.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1278.806299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.806299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.806299 (E_RNA)
where:
Base-Base interactions energy: -847.135
where: short stacking energy: -384.531
Base-Backbone interact. energy: -3.878
local terms energy: -427.793089
where:
bonds (distance) C4'-P energy: -87.022
bonds (distance) P-C4' energy: -86.318
flat angles C4'-P-C4' energy: -106.927
flat angles P-C4'-P energy: -46.770
tors. eta vs tors. theta energy: -100.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1159.042129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.042129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.042129 (E_RNA)
where:
Base-Base interactions energy: -732.053
where: short stacking energy: -314.502
Base-Backbone interact. energy: 0.724
local terms energy: -427.712904
where:
bonds (distance) C4'-P energy: -96.796
bonds (distance) P-C4' energy: -102.863
flat angles C4'-P-C4' energy: -90.098
flat angles P-C4'-P energy: -68.048
tors. eta vs tors. theta energy: -69.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -714.964720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.964720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.964720 (E_RNA)
where:
Base-Base interactions energy: -418.288
where: short stacking energy: -216.409
Base-Backbone interact. energy: -1.209
local terms energy: -295.467853
where:
bonds (distance) C4'-P energy: -96.672
bonds (distance) P-C4' energy: -73.744
flat angles C4'-P-C4' energy: -70.562
flat angles P-C4'-P energy: -47.962
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1839.221980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.221980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.221980 (E_RNA)
where:
Base-Base interactions energy: -1281.249
where: short stacking energy: -512.310
Base-Backbone interact. energy: -2.244
local terms energy: -555.729534
where:
bonds (distance) C4'-P energy: -118.370
bonds (distance) P-C4' energy: -98.344
flat angles C4'-P-C4' energy: -126.877
flat angles P-C4'-P energy: -69.207
tors. eta vs tors. theta energy: -142.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1804.947725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.947725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.947725 (E_RNA)
where:
Base-Base interactions energy: -1232.948
where: short stacking energy: -523.460
Base-Backbone interact. energy: 1.982
local terms energy: -573.981547
where:
bonds (distance) C4'-P energy: -110.542
bonds (distance) P-C4' energy: -93.349
flat angles C4'-P-C4' energy: -128.067
flat angles P-C4'-P energy: -88.354
tors. eta vs tors. theta energy: -153.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1753.040589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.040589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.040589 (E_RNA)
where:
Base-Base interactions energy: -1214.074
where: short stacking energy: -491.715
Base-Backbone interact. energy: -5.236
local terms energy: -533.730237
where:
bonds (distance) C4'-P energy: -97.247
bonds (distance) P-C4' energy: -109.010
flat angles C4'-P-C4' energy: -119.080
flat angles P-C4'-P energy: -74.627
tors. eta vs tors. theta energy: -133.766
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: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1636.836567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.836567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.836567 (E_RNA)
where:
Base-Base interactions energy: -1108.414
where: short stacking energy: -491.320
Base-Backbone interact. energy: -4.128
local terms energy: -524.294507
where:
bonds (distance) C4'-P energy: -80.555
bonds (distance) P-C4' energy: -98.022
flat angles C4'-P-C4' energy: -119.998
flat angles P-C4'-P energy: -84.875
tors. eta vs tors. theta energy: -140.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1504.191594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.191594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.191594 (E_RNA)
where:
Base-Base interactions energy: -1032.842
where: short stacking energy: -420.451
Base-Backbone interact. energy: -1.386
local terms energy: -469.962861
where:
bonds (distance) C4'-P energy: -97.291
bonds (distance) P-C4' energy: -96.994
flat angles C4'-P-C4' energy: -105.046
flat angles P-C4'-P energy: -68.933
tors. eta vs tors. theta energy: -101.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1483.305674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.305674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.305674 (E_RNA)
where:
Base-Base interactions energy: -1019.866
where: short stacking energy: -423.186
Base-Backbone interact. energy: -2.133
local terms energy: -461.306905
where:
bonds (distance) C4'-P energy: -101.186
bonds (distance) P-C4' energy: -82.918
flat angles C4'-P-C4' energy: -104.921
flat angles P-C4'-P energy: -59.990
tors. eta vs tors. theta energy: -112.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1404.197232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.197232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.197232 (E_RNA)
where:
Base-Base interactions energy: -967.104
where: short stacking energy: -396.096
Base-Backbone interact. energy: -1.131
local terms energy: -435.962980
where:
bonds (distance) C4'-P energy: -87.471
bonds (distance) P-C4' energy: -92.851
flat angles C4'-P-C4' energy: -88.161
flat angles P-C4'-P energy: -68.147
tors. eta vs tors. theta energy: -99.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1274.081533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.081533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.081533 (E_RNA)
where:
Base-Base interactions energy: -817.697
where: short stacking energy: -350.504
Base-Backbone interact. energy: -0.651
local terms energy: -455.733824
where:
bonds (distance) C4'-P energy: -98.428
bonds (distance) P-C4' energy: -92.209
flat angles C4'-P-C4' energy: -98.260
flat angles P-C4'-P energy: -76.635
tors. eta vs tors. theta energy: -90.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1152.745628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.745628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.745628 (E_RNA)
where:
Base-Base interactions energy: -763.225
where: short stacking energy: -313.973
Base-Backbone interact. energy: -1.075
local terms energy: -388.446006
where:
bonds (distance) C4'-P energy: -90.269
bonds (distance) P-C4' energy: -77.867
flat angles C4'-P-C4' energy: -95.239
flat angles P-C4'-P energy: -56.005
tors. eta vs tors. theta energy: -69.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -673.015478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.015478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.015478 (E_RNA)
where:
Base-Base interactions energy: -357.583
where: short stacking energy: -161.189
Base-Backbone interact. energy: 3.884
local terms energy: -319.316043
where:
bonds (distance) C4'-P energy: -93.057
bonds (distance) P-C4' energy: -101.583
flat angles C4'-P-C4' energy: -68.097
flat angles P-C4'-P energy: -55.203
tors. eta vs tors. theta energy: -1.376
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: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1842.987294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.987294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.987294 (E_RNA)
where:
Base-Base interactions energy: -1282.860
where: short stacking energy: -526.800
Base-Backbone interact. energy: -2.164
local terms energy: -557.963255
where:
bonds (distance) C4'-P energy: -97.750
bonds (distance) P-C4' energy: -115.855
flat angles C4'-P-C4' energy: -117.919
flat angles P-C4'-P energy: -76.046
tors. eta vs tors. theta energy: -150.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1861.480818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.480818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.480818 (E_RNA)
where:
Base-Base interactions energy: -1268.950
where: short stacking energy: -543.225
Base-Backbone interact. energy: -0.768
local terms energy: -591.762922
where:
bonds (distance) C4'-P energy: -109.081
bonds (distance) P-C4' energy: -119.524
flat angles C4'-P-C4' energy: -119.528
flat angles P-C4'-P energy: -81.323
tors. eta vs tors. theta energy: -162.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1707.609617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.609617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.609617 (E_RNA)
where:
Base-Base interactions energy: -1160.840
where: short stacking energy: -515.116
Base-Backbone interact. energy: -3.015
local terms energy: -543.755026
where:
bonds (distance) C4'-P energy: -108.200
bonds (distance) P-C4' energy: -102.872
flat angles C4'-P-C4' energy: -104.565
flat angles P-C4'-P energy: -88.589
tors. eta vs tors. theta energy: -139.529
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: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1709.153328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.153328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.153328 (E_RNA)
where:
Base-Base interactions energy: -1191.965
where: short stacking energy: -481.132
Base-Backbone interact. energy: -0.104
local terms energy: -517.084113
where:
bonds (distance) C4'-P energy: -87.946
bonds (distance) P-C4' energy: -106.531
flat angles C4'-P-C4' energy: -116.984
flat angles P-C4'-P energy: -66.177
tors. eta vs tors. theta energy: -139.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1522.971643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.971643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.971643 (E_RNA)
where:
Base-Base interactions energy: -1053.602
where: short stacking energy: -468.332
Base-Backbone interact. energy: 4.332
local terms energy: -473.701240
where:
bonds (distance) C4'-P energy: -94.696
bonds (distance) P-C4' energy: -89.354
flat angles C4'-P-C4' energy: -105.126
flat angles P-C4'-P energy: -59.697
tors. eta vs tors. theta energy: -124.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1459.681921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.681921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.681921 (E_RNA)
where:
Base-Base interactions energy: -1005.933
where: short stacking energy: -413.087
Base-Backbone interact. energy: -0.666
local terms energy: -453.083331
where:
bonds (distance) C4'-P energy: -94.707
bonds (distance) P-C4' energy: -90.347
flat angles C4'-P-C4' energy: -102.640
flat angles P-C4'-P energy: -67.338
tors. eta vs tors. theta energy: -98.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1392.951471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.951471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.951471 (E_RNA)
where:
Base-Base interactions energy: -941.383
where: short stacking energy: -407.032
Base-Backbone interact. energy: 1.656
local terms energy: -453.224906
where:
bonds (distance) C4'-P energy: -99.874
bonds (distance) P-C4' energy: -100.156
flat angles C4'-P-C4' energy: -102.674
flat angles P-C4'-P energy: -54.838
tors. eta vs tors. theta energy: -95.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1260.142605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.142605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.142605 (E_RNA)
where:
Base-Base interactions energy: -818.675
where: short stacking energy: -353.190
Base-Backbone interact. energy: 0.687
local terms energy: -442.154879
where:
bonds (distance) C4'-P energy: -86.507
bonds (distance) P-C4' energy: -98.437
flat angles C4'-P-C4' energy: -97.499
flat angles P-C4'-P energy: -74.815
tors. eta vs tors. theta energy: -84.897
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: 54
Temperature: 1.300000
Total energy: -1112.863333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.863333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.863333 (E_RNA)
where:
Base-Base interactions energy: -724.838
where: short stacking energy: -284.570
Base-Backbone interact. energy: 0.254
local terms energy: -388.278672
where:
bonds (distance) C4'-P energy: -98.385
bonds (distance) P-C4' energy: -89.350
flat angles C4'-P-C4' energy: -90.812
flat angles P-C4'-P energy: -53.083
tors. eta vs tors. theta energy: -56.648
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: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -730.056196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.056196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.056196 (E_RNA)
where:
Base-Base interactions energy: -434.241
where: short stacking energy: -221.013
Base-Backbone interact. energy: 1.779
local terms energy: -297.593899
where:
bonds (distance) C4'-P energy: -91.467
bonds (distance) P-C4' energy: -70.554
flat angles C4'-P-C4' energy: -82.226
flat angles P-C4'-P energy: -31.328
tors. eta vs tors. theta energy: -22.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1849.115046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.115046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.115046 (E_RNA)
where:
Base-Base interactions energy: -1291.577
where: short stacking energy: -536.630
Base-Backbone interact. energy: -4.464
local terms energy: -553.074112
where:
bonds (distance) C4'-P energy: -103.305
bonds (distance) P-C4' energy: -104.930
flat angles C4'-P-C4' energy: -117.051
flat angles P-C4'-P energy: -76.910
tors. eta vs tors. theta energy: -150.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1872.415405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.415405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.415405 (E_RNA)
where:
Base-Base interactions energy: -1271.414
where: short stacking energy: -548.387
Base-Backbone interact. energy: 0.198
local terms energy: -601.199177
where:
bonds (distance) C4'-P energy: -111.712
bonds (distance) P-C4' energy: -115.486
flat angles C4'-P-C4' energy: -130.116
flat angles P-C4'-P energy: -78.267
tors. eta vs tors. theta energy: -165.619
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: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1703.355281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.355281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.355281 (E_RNA)
where:
Base-Base interactions energy: -1164.739
where: short stacking energy: -526.033
Base-Backbone interact. energy: -1.791
local terms energy: -536.825925
where:
bonds (distance) C4'-P energy: -88.833
bonds (distance) P-C4' energy: -102.894
flat angles C4'-P-C4' energy: -122.941
flat angles P-C4'-P energy: -80.682
tors. eta vs tors. theta energy: -141.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1734.030058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.030058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.030058 (E_RNA)
where:
Base-Base interactions energy: -1212.741
where: short stacking energy: -489.987
Base-Backbone interact. energy: -0.557
local terms energy: -520.732370
where:
bonds (distance) C4'-P energy: -95.183
bonds (distance) P-C4' energy: -105.001
flat angles C4'-P-C4' energy: -114.024
flat angles P-C4'-P energy: -70.068
tors. eta vs tors. theta energy: -136.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1582.398196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.398196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.398196 (E_RNA)
where:
Base-Base interactions energy: -1087.362
where: short stacking energy: -443.039
Base-Backbone interact. energy: 0.715
local terms energy: -495.750582
where:
bonds (distance) C4'-P energy: -98.043
bonds (distance) P-C4' energy: -97.374
flat angles C4'-P-C4' energy: -106.313
flat angles P-C4'-P energy: -69.894
tors. eta vs tors. theta energy: -124.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1477.202574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.202574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.202574 (E_RNA)
where:
Base-Base interactions energy: -1029.055
where: short stacking energy: -423.479
Base-Backbone interact. energy: 3.393
local terms energy: -451.540631
where:
bonds (distance) C4'-P energy: -79.576
bonds (distance) P-C4' energy: -99.622
flat angles C4'-P-C4' energy: -95.960
flat angles P-C4'-P energy: -58.611
tors. eta vs tors. theta energy: -117.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1359.286920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.286920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.286920 (E_RNA)
where:
Base-Base interactions energy: -903.722
where: short stacking energy: -369.295
Base-Backbone interact. energy: -1.316
local terms energy: -454.248410
where:
bonds (distance) C4'-P energy: -87.359
bonds (distance) P-C4' energy: -98.712
flat angles C4'-P-C4' energy: -99.934
flat angles P-C4'-P energy: -68.297
tors. eta vs tors. theta energy: -99.946
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: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1282.834302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.834302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.834302 (E_RNA)
where:
Base-Base interactions energy: -835.405
where: short stacking energy: -348.366
Base-Backbone interact. energy: 0.036
local terms energy: -447.464847
where:
bonds (distance) C4'-P energy: -94.330
bonds (distance) P-C4' energy: -100.661
flat angles C4'-P-C4' energy: -91.809
flat angles P-C4'-P energy: -70.675
tors. eta vs tors. theta energy: -89.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1110.050908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.050908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.050908 (E_RNA)
where:
Base-Base interactions energy: -723.493
where: short stacking energy: -305.793
Base-Backbone interact. energy: -1.249
local terms energy: -385.309085
where:
bonds (distance) C4'-P energy: -89.651
bonds (distance) P-C4' energy: -85.852
flat angles C4'-P-C4' energy: -89.650
flat angles P-C4'-P energy: -50.087
tors. eta vs tors. theta energy: -70.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -759.984181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.984181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.984181 (E_RNA)
where:
Base-Base interactions energy: -449.393
where: short stacking energy: -195.503
Base-Backbone interact. energy: -2.925
local terms energy: -307.666977
where:
bonds (distance) C4'-P energy: -83.439
bonds (distance) P-C4' energy: -97.424
flat angles C4'-P-C4' energy: -66.612
flat angles P-C4'-P energy: -39.734
tors. eta vs tors. theta energy: -20.457
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: 56
Temperature: 0.900000
Total energy: -1874.501487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.501487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.501487 (E_RNA)
where:
Base-Base interactions energy: -1290.638
where: short stacking energy: -525.875
Base-Backbone interact. energy: -5.120
local terms energy: -578.743777
where:
bonds (distance) C4'-P energy: -104.154
bonds (distance) P-C4' energy: -116.183
flat angles C4'-P-C4' energy: -124.353
flat angles P-C4'-P energy: -74.126
tors. eta vs tors. theta energy: -159.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1818.657930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.657930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.657930 (E_RNA)
where:
Base-Base interactions energy: -1261.048
where: short stacking energy: -524.839
Base-Backbone interact. energy: -2.314
local terms energy: -555.296734
where:
bonds (distance) C4'-P energy: -103.231
bonds (distance) P-C4' energy: -93.911
flat angles C4'-P-C4' energy: -124.748
flat angles P-C4'-P energy: -85.788
tors. eta vs tors. theta energy: -147.619
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: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1721.423159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.423159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.423159 (E_RNA)
where:
Base-Base interactions energy: -1183.058
where: short stacking energy: -508.072
Base-Backbone interact. energy: -1.278
local terms energy: -537.086262
where:
bonds (distance) C4'-P energy: -101.292
bonds (distance) P-C4' energy: -88.824
flat angles C4'-P-C4' energy: -121.480
flat angles P-C4'-P energy: -80.100
tors. eta vs tors. theta energy: -145.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1653.598120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.598120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.598120 (E_RNA)
where:
Base-Base interactions energy: -1153.930
where: short stacking energy: -501.666
Base-Backbone interact. energy: 0.408
local terms energy: -500.076388
where:
bonds (distance) C4'-P energy: -93.133
bonds (distance) P-C4' energy: -88.364
flat angles C4'-P-C4' energy: -111.266
flat angles P-C4'-P energy: -66.628
tors. eta vs tors. theta energy: -140.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1565.831106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.831106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.831106 (E_RNA)
where:
Base-Base interactions energy: -1050.694
where: short stacking energy: -430.981
Base-Backbone interact. energy: -2.867
local terms energy: -512.270267
where:
bonds (distance) C4'-P energy: -95.680
bonds (distance) P-C4' energy: -106.448
flat angles C4'-P-C4' energy: -123.151
flat angles P-C4'-P energy: -60.045
tors. eta vs tors. theta energy: -126.946
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: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1471.184166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.184166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.184166 (E_RNA)
where:
Base-Base interactions energy: -1004.963
where: short stacking energy: -406.171
Base-Backbone interact. energy: -0.492
local terms energy: -465.729822
where:
bonds (distance) C4'-P energy: -92.590
bonds (distance) P-C4' energy: -96.410
flat angles C4'-P-C4' energy: -100.501
flat angles P-C4'-P energy: -70.001
tors. eta vs tors. theta energy: -106.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1352.296899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.296899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.296899 (E_RNA)
where:
Base-Base interactions energy: -914.729
where: short stacking energy: -400.894
Base-Backbone interact. energy: -1.085
local terms energy: -436.483550
where:
bonds (distance) C4'-P energy: -86.001
bonds (distance) P-C4' energy: -85.960
flat angles C4'-P-C4' energy: -93.595
flat angles P-C4'-P energy: -64.011
tors. eta vs tors. theta energy: -106.916
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: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1277.840251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.840251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.840251 (E_RNA)
where:
Base-Base interactions energy: -837.619
where: short stacking energy: -360.512
Base-Backbone interact. energy: -1.809
local terms energy: -438.412176
where:
bonds (distance) C4'-P energy: -100.193
bonds (distance) P-C4' energy: -86.254
flat angles C4'-P-C4' energy: -100.722
flat angles P-C4'-P energy: -58.728
tors. eta vs tors. theta energy: -92.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1110.682884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.682884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.682884 (E_RNA)
where:
Base-Base interactions energy: -725.470
where: short stacking energy: -307.576
Base-Backbone interact. energy: -0.395
local terms energy: -384.817693
where:
bonds (distance) C4'-P energy: -84.351
bonds (distance) P-C4' energy: -95.903
flat angles C4'-P-C4' energy: -98.462
flat angles P-C4'-P energy: -51.537
tors. eta vs tors. theta energy: -54.565
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: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -728.148040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.148040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.148040 (E_RNA)
where:
Base-Base interactions energy: -410.928
where: short stacking energy: -209.657
Base-Backbone interact. energy: -2.117
local terms energy: -315.102473
where:
bonds (distance) C4'-P energy: -92.480
bonds (distance) P-C4' energy: -80.221
flat angles C4'-P-C4' energy: -76.830
flat angles P-C4'-P energy: -49.246
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1860.626767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.626767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.626767 (E_RNA)
where:
Base-Base interactions energy: -1296.487
where: short stacking energy: -530.788
Base-Backbone interact. energy: 1.608
local terms energy: -565.748361
where:
bonds (distance) C4'-P energy: -103.839
bonds (distance) P-C4' energy: -94.494
flat angles C4'-P-C4' energy: -127.725
flat angles P-C4'-P energy: -78.467
tors. eta vs tors. theta energy: -161.223
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: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1818.372100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.372100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.372100 (E_RNA)
where:
Base-Base interactions energy: -1247.514
where: short stacking energy: -508.972
Base-Backbone interact. energy: -4.091
local terms energy: -566.767659
where:
bonds (distance) C4'-P energy: -110.956
bonds (distance) P-C4' energy: -109.124
flat angles C4'-P-C4' energy: -120.936
flat angles P-C4'-P energy: -78.817
tors. eta vs tors. theta energy: -146.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1696.641982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.641982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.641982 (E_RNA)
where:
Base-Base interactions energy: -1179.774
where: short stacking energy: -457.817
Base-Backbone interact. energy: -1.257
local terms energy: -515.610973
where:
bonds (distance) C4'-P energy: -111.563
bonds (distance) P-C4' energy: -88.631
flat angles C4'-P-C4' energy: -111.986
flat angles P-C4'-P energy: -77.595
tors. eta vs tors. theta energy: -125.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1656.998970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.998970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.998970 (E_RNA)
where:
Base-Base interactions energy: -1119.610
where: short stacking energy: -493.257
Base-Backbone interact. energy: -2.642
local terms energy: -534.746220
where:
bonds (distance) C4'-P energy: -109.184
bonds (distance) P-C4' energy: -94.757
flat angles C4'-P-C4' energy: -107.476
flat angles P-C4'-P energy: -76.552
tors. eta vs tors. theta energy: -146.778
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: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1562.342224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.342224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.342224 (E_RNA)
where:
Base-Base interactions energy: -1076.477
where: short stacking energy: -444.850
Base-Backbone interact. energy: -3.528
local terms energy: -482.337290
where:
bonds (distance) C4'-P energy: -96.578
bonds (distance) P-C4' energy: -98.378
flat angles C4'-P-C4' energy: -110.662
flat angles P-C4'-P energy: -68.131
tors. eta vs tors. theta energy: -108.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1489.507874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.507874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.507874 (E_RNA)
where:
Base-Base interactions energy: -994.069
where: short stacking energy: -440.664
Base-Backbone interact. energy: 1.362
local terms energy: -496.800728
where:
bonds (distance) C4'-P energy: -108.997
bonds (distance) P-C4' energy: -100.573
flat angles C4'-P-C4' energy: -108.670
flat angles P-C4'-P energy: -62.628
tors. eta vs tors. theta energy: -115.934
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: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1356.018034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.018034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.018034 (E_RNA)
where:
Base-Base interactions energy: -923.750
where: short stacking energy: -406.917
Base-Backbone interact. energy: -2.260
local terms energy: -430.007975
where:
bonds (distance) C4'-P energy: -78.768
bonds (distance) P-C4' energy: -93.215
flat angles C4'-P-C4' energy: -107.610
flat angles P-C4'-P energy: -54.123
tors. eta vs tors. theta energy: -96.292
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: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1269.279722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.279722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.279722 (E_RNA)
where:
Base-Base interactions energy: -854.418
where: short stacking energy: -344.304
Base-Backbone interact. energy: 1.195
local terms energy: -416.056252
where:
bonds (distance) C4'-P energy: -89.302
bonds (distance) P-C4' energy: -87.760
flat angles C4'-P-C4' energy: -96.678
flat angles P-C4'-P energy: -60.961
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: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1112.489404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.489404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.489404 (E_RNA)
where:
Base-Base interactions energy: -731.209
where: short stacking energy: -319.548
Base-Backbone interact. energy: -0.910
local terms energy: -380.371101
where:
bonds (distance) C4'-P energy: -80.822
bonds (distance) P-C4' energy: -94.571
flat angles C4'-P-C4' energy: -93.128
flat angles P-C4'-P energy: -49.608
tors. eta vs tors. theta energy: -62.242
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: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -738.037695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.037695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.037695 (E_RNA)
where:
Base-Base interactions energy: -420.759
where: short stacking energy: -181.756
Base-Backbone interact. energy: 1.357
local terms energy: -318.635591
where:
bonds (distance) C4'-P energy: -97.269
bonds (distance) P-C4' energy: -98.633
flat angles C4'-P-C4' energy: -83.637
flat angles P-C4'-P energy: -36.123
tors. eta vs tors. theta energy: -2.975
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: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1890.306672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.306672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.306672 (E_RNA)
where:
Base-Base interactions energy: -1293.519
where: short stacking energy: -557.320
Base-Backbone interact. energy: -4.370
local terms energy: -592.417873
where:
bonds (distance) C4'-P energy: -112.644
bonds (distance) P-C4' energy: -111.605
flat angles C4'-P-C4' energy: -124.848
flat angles P-C4'-P energy: -80.536
tors. eta vs tors. theta energy: -162.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1837.275842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.275842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.275842 (E_RNA)
where:
Base-Base interactions energy: -1274.484
where: short stacking energy: -509.569
Base-Backbone interact. energy: -2.335
local terms energy: -560.456559
where:
bonds (distance) C4'-P energy: -104.432
bonds (distance) P-C4' energy: -104.433
flat angles C4'-P-C4' energy: -125.400
flat angles P-C4'-P energy: -75.477
tors. eta vs tors. theta energy: -150.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1696.070379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.070379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.070379 (E_RNA)
where:
Base-Base interactions energy: -1161.191
where: short stacking energy: -482.196
Base-Backbone interact. energy: 1.955
local terms energy: -536.834680
where:
bonds (distance) C4'-P energy: -100.800
bonds (distance) P-C4' energy: -108.104
flat angles C4'-P-C4' energy: -112.171
flat angles P-C4'-P energy: -81.352
tors. eta vs tors. theta energy: -134.408
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: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1654.628708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.628708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.628708 (E_RNA)
where:
Base-Base interactions energy: -1125.784
where: short stacking energy: -484.750
Base-Backbone interact. energy: -1.860
local terms energy: -526.984526
where:
bonds (distance) C4'-P energy: -96.924
bonds (distance) P-C4' energy: -100.218
flat angles C4'-P-C4' energy: -119.789
flat angles P-C4'-P energy: -75.431
tors. eta vs tors. theta energy: -134.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1565.355698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.355698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.355698 (E_RNA)
where:
Base-Base interactions energy: -1053.348
where: short stacking energy: -431.587
Base-Backbone interact. energy: -3.486
local terms energy: -508.521744
where:
bonds (distance) C4'-P energy: -96.164
bonds (distance) P-C4' energy: -101.871
flat angles C4'-P-C4' energy: -109.178
flat angles P-C4'-P energy: -80.361
tors. eta vs tors. theta energy: -120.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1491.844388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.844388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.844388 (E_RNA)
where:
Base-Base interactions energy: -1002.060
where: short stacking energy: -424.115
Base-Backbone interact. energy: -1.141
local terms energy: -488.643787
where:
bonds (distance) C4'-P energy: -108.452
bonds (distance) P-C4' energy: -91.109
flat angles C4'-P-C4' energy: -102.713
flat angles P-C4'-P energy: -77.101
tors. eta vs tors. theta energy: -109.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1363.135413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.135413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.135413 (E_RNA)
where:
Base-Base interactions energy: -912.902
where: short stacking energy: -401.801
Base-Backbone interact. energy: -1.980
local terms energy: -448.253918
where:
bonds (distance) C4'-P energy: -85.708
bonds (distance) P-C4' energy: -100.908
flat angles C4'-P-C4' energy: -97.031
flat angles P-C4'-P energy: -63.544
tors. eta vs tors. theta energy: -101.064
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: 58
Temperature: 1.250000
Total energy: -1274.031040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.031040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.031040 (E_RNA)
where:
Base-Base interactions energy: -818.216
where: short stacking energy: -349.642
Base-Backbone interact. energy: -1.541
local terms energy: -454.274676
where:
bonds (distance) C4'-P energy: -89.495
bonds (distance) P-C4' energy: -92.143
flat angles C4'-P-C4' energy: -110.396
flat angles P-C4'-P energy: -76.186
tors. eta vs tors. theta energy: -86.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1093.094466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.094466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.094466 (E_RNA)
where:
Base-Base interactions energy: -713.992
where: short stacking energy: -304.794
Base-Backbone interact. energy: 6.477
local terms energy: -385.579186
where:
bonds (distance) C4'-P energy: -95.250
bonds (distance) P-C4' energy: -88.924
flat angles C4'-P-C4' energy: -84.435
flat angles P-C4'-P energy: -58.969
tors. eta vs tors. theta energy: -58.002
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: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -762.461860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.461860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.461860 (E_RNA)
where:
Base-Base interactions energy: -432.821
where: short stacking energy: -223.028
Base-Backbone interact. energy: -3.160
local terms energy: -326.479938
where:
bonds (distance) C4'-P energy: -90.044
bonds (distance) P-C4' energy: -87.429
flat angles C4'-P-C4' energy: -77.411
flat angles P-C4'-P energy: -48.338
tors. eta vs tors. theta energy: -23.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1882.648130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.648130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.648130 (E_RNA)
where:
Base-Base interactions energy: -1302.998
where: short stacking energy: -542.464
Base-Backbone interact. energy: -1.923
local terms energy: -577.727086
where:
bonds (distance) C4'-P energy: -107.885
bonds (distance) P-C4' energy: -101.618
flat angles C4'-P-C4' energy: -119.603
flat angles P-C4'-P energy: -79.116
tors. eta vs tors. theta energy: -169.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1820.220886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.220886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.220886 (E_RNA)
where:
Base-Base interactions energy: -1259.036
where: short stacking energy: -520.849
Base-Backbone interact. energy: 3.761
local terms energy: -564.945698
where:
bonds (distance) C4'-P energy: -106.299
bonds (distance) P-C4' energy: -105.368
flat angles C4'-P-C4' energy: -119.184
flat angles P-C4'-P energy: -77.479
tors. eta vs tors. theta energy: -156.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1693.758740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.758740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.758740 (E_RNA)
where:
Base-Base interactions energy: -1167.043
where: short stacking energy: -491.438
Base-Backbone interact. energy: -3.987
local terms energy: -522.727965
where:
bonds (distance) C4'-P energy: -106.572
bonds (distance) P-C4' energy: -95.303
flat angles C4'-P-C4' energy: -112.283
flat angles P-C4'-P energy: -69.267
tors. eta vs tors. theta energy: -139.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1611.968302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.968302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.968302 (E_RNA)
where:
Base-Base interactions energy: -1088.554
where: short stacking energy: -464.383
Base-Backbone interact. energy: -1.897
local terms energy: -521.517937
where:
bonds (distance) C4'-P energy: -104.898
bonds (distance) P-C4' energy: -104.378
flat angles C4'-P-C4' energy: -114.815
flat angles P-C4'-P energy: -64.499
tors. eta vs tors. theta energy: -132.929
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: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1604.680899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.680899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.680899 (E_RNA)
where:
Base-Base interactions energy: -1092.596
where: short stacking energy: -436.393
Base-Backbone interact. energy: -0.418
local terms energy: -511.666920
where:
bonds (distance) C4'-P energy: -90.696
bonds (distance) P-C4' energy: -95.873
flat angles C4'-P-C4' energy: -120.424
flat angles P-C4'-P energy: -80.379
tors. eta vs tors. theta energy: -124.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1461.279868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.279868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.279868 (E_RNA)
where:
Base-Base interactions energy: -984.674
where: short stacking energy: -415.049
Base-Backbone interact. energy: -3.187
local terms energy: -473.419612
where:
bonds (distance) C4'-P energy: -98.863
bonds (distance) P-C4' energy: -95.144
flat angles C4'-P-C4' energy: -102.279
flat angles P-C4'-P energy: -68.996
tors. eta vs tors. theta energy: -108.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1354.129681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.129681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.129681 (E_RNA)
where:
Base-Base interactions energy: -918.777
where: short stacking energy: -403.788
Base-Backbone interact. energy: -2.307
local terms energy: -433.045601
where:
bonds (distance) C4'-P energy: -89.943
bonds (distance) P-C4' energy: -94.532
flat angles C4'-P-C4' energy: -97.902
flat angles P-C4'-P energy: -49.636
tors. eta vs tors. theta energy: -101.032
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: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1261.108107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.108107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.108107 (E_RNA)
where:
Base-Base interactions energy: -825.107
where: short stacking energy: -355.178
Base-Backbone interact. energy: -2.936
local terms energy: -433.065376
where:
bonds (distance) C4'-P energy: -101.492
bonds (distance) P-C4' energy: -106.623
flat angles C4'-P-C4' energy: -97.451
flat angles P-C4'-P energy: -47.155
tors. eta vs tors. theta energy: -80.344
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: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1117.760717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.760717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.760717 (E_RNA)
where:
Base-Base interactions energy: -714.682
where: short stacking energy: -305.169
Base-Backbone interact. energy: -0.292
local terms energy: -402.787568
where:
bonds (distance) C4'-P energy: -89.776
bonds (distance) P-C4' energy: -93.175
flat angles C4'-P-C4' energy: -89.043
flat angles P-C4'-P energy: -67.332
tors. eta vs tors. theta energy: -63.461
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: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -706.862318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.862318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.862318 (E_RNA)
where:
Base-Base interactions energy: -395.646
where: short stacking energy: -174.495
Base-Backbone interact. energy: -1.443
local terms energy: -309.773067
where:
bonds (distance) C4'-P energy: -92.376
bonds (distance) P-C4' energy: -89.947
flat angles C4'-P-C4' energy: -86.456
flat angles P-C4'-P energy: -47.366
tors. eta vs tors. theta energy: 6.371
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: 60
Temperature: 0.900000
Total energy: -1884.424161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.424161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.424161 (E_RNA)
where:
Base-Base interactions energy: -1285.951
where: short stacking energy: -535.390
Base-Backbone interact. energy: -2.439
local terms energy: -596.034275
where:
bonds (distance) C4'-P energy: -114.088
bonds (distance) P-C4' energy: -107.044
flat angles C4'-P-C4' energy: -132.484
flat angles P-C4'-P energy: -82.961
tors. eta vs tors. theta energy: -159.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1812.964945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.964945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.964945 (E_RNA)
where:
Base-Base interactions energy: -1260.761
where: short stacking energy: -503.136
Base-Backbone interact. energy: -2.797
local terms energy: -549.406591
where:
bonds (distance) C4'-P energy: -98.657
bonds (distance) P-C4' energy: -102.230
flat angles C4'-P-C4' energy: -124.047
flat angles P-C4'-P energy: -76.941
tors. eta vs tors. theta energy: -147.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1705.378241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.378241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.378241 (E_RNA)
where:
Base-Base interactions energy: -1172.084
where: short stacking energy: -498.900
Base-Backbone interact. energy: -2.112
local terms energy: -531.181545
where:
bonds (distance) C4'-P energy: -102.719
bonds (distance) P-C4' energy: -105.820
flat angles C4'-P-C4' energy: -110.367
flat angles P-C4'-P energy: -80.576
tors. eta vs tors. theta energy: -131.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1654.733423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.733423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.733423 (E_RNA)
where:
Base-Base interactions energy: -1110.045
where: short stacking energy: -480.950
Base-Backbone interact. energy: -2.594
local terms energy: -542.094496
where:
bonds (distance) C4'-P energy: -101.778
bonds (distance) P-C4' energy: -106.204
flat angles C4'-P-C4' energy: -115.977
flat angles P-C4'-P energy: -77.099
tors. eta vs tors. theta energy: -141.036
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: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1565.270582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.270582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.270582 (E_RNA)
where:
Base-Base interactions energy: -1067.669
where: short stacking energy: -455.823
Base-Backbone interact. energy: -1.103
local terms energy: -496.498790
where:
bonds (distance) C4'-P energy: -97.594
bonds (distance) P-C4' energy: -108.896
flat angles C4'-P-C4' energy: -105.834
flat angles P-C4'-P energy: -70.025
tors. eta vs tors. theta energy: -114.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1528.849774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.849774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.849774 (E_RNA)
where:
Base-Base interactions energy: -1021.054
where: short stacking energy: -433.212
Base-Backbone interact. energy: 0.812
local terms energy: -508.607166
where:
bonds (distance) C4'-P energy: -102.440
bonds (distance) P-C4' energy: -100.153
flat angles C4'-P-C4' energy: -119.321
flat angles P-C4'-P energy: -67.828
tors. eta vs tors. theta energy: -118.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1369.450475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.450475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.450475 (E_RNA)
where:
Base-Base interactions energy: -928.168
where: short stacking energy: -380.682
Base-Backbone interact. energy: 0.249
local terms energy: -441.530890
where:
bonds (distance) C4'-P energy: -91.081
bonds (distance) P-C4' energy: -92.020
flat angles C4'-P-C4' energy: -99.403
flat angles P-C4'-P energy: -60.616
tors. eta vs tors. theta energy: -98.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1313.645247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.645247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.645247 (E_RNA)
where:
Base-Base interactions energy: -872.890
where: short stacking energy: -373.011
Base-Backbone interact. energy: -0.463
local terms energy: -440.292373
where:
bonds (distance) C4'-P energy: -92.177
bonds (distance) P-C4' energy: -97.855
flat angles C4'-P-C4' energy: -109.246
flat angles P-C4'-P energy: -46.202
tors. eta vs tors. theta energy: -94.812
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: 60
Temperature: 1.300000
Total energy: -1116.664579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.664579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.664579 (E_RNA)
where:
Base-Base interactions energy: -747.814
where: short stacking energy: -321.686
Base-Backbone interact. energy: 3.362
local terms energy: -372.211947
where:
bonds (distance) C4'-P energy: -76.536
bonds (distance) P-C4' energy: -88.043
flat angles C4'-P-C4' energy: -89.553
flat angles P-C4'-P energy: -59.907
tors. eta vs tors. theta energy: -58.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -628.942292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.942292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.942292 (E_RNA)
where:
Base-Base interactions energy: -347.489
where: short stacking energy: -180.826
Base-Backbone interact. energy: 1.575
local terms energy: -283.028421
where:
bonds (distance) C4'-P energy: -81.011
bonds (distance) P-C4' energy: -78.563
flat angles C4'-P-C4' energy: -75.593
flat angles P-C4'-P energy: -43.354
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1870.632720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.632720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.632720 (E_RNA)
where:
Base-Base interactions energy: -1282.491
where: short stacking energy: -551.219
Base-Backbone interact. energy: -4.528
local terms energy: -583.614230
where:
bonds (distance) C4'-P energy: -113.259
bonds (distance) P-C4' energy: -113.920
flat angles C4'-P-C4' energy: -115.115
flat angles P-C4'-P energy: -82.606
tors. eta vs tors. theta energy: -158.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1814.413720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.413720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.413720 (E_RNA)
where:
Base-Base interactions energy: -1237.031
where: short stacking energy: -492.833
Base-Backbone interact. energy: -0.895
local terms energy: -576.487136
where:
bonds (distance) C4'-P energy: -118.800
bonds (distance) P-C4' energy: -114.446
flat angles C4'-P-C4' energy: -119.431
flat angles P-C4'-P energy: -75.084
tors. eta vs tors. theta energy: -148.725
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: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1711.965513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.965513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.965513 (E_RNA)
where:
Base-Base interactions energy: -1165.540
where: short stacking energy: -483.279
Base-Backbone interact. energy: -3.149
local terms energy: -543.276837
where:
bonds (distance) C4'-P energy: -96.229
bonds (distance) P-C4' energy: -117.047
flat angles C4'-P-C4' energy: -110.188
flat angles P-C4'-P energy: -74.346
tors. eta vs tors. theta energy: -145.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1659.783392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.783392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.783392 (E_RNA)
where:
Base-Base interactions energy: -1141.939
where: short stacking energy: -493.044
Base-Backbone interact. energy: -2.954
local terms energy: -514.890851
where:
bonds (distance) C4'-P energy: -104.341
bonds (distance) P-C4' energy: -103.832
flat angles C4'-P-C4' energy: -98.190
flat angles P-C4'-P energy: -60.096
tors. eta vs tors. theta energy: -148.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1574.792748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.792748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.792748 (E_RNA)
where:
Base-Base interactions energy: -1061.164
where: short stacking energy: -421.346
Base-Backbone interact. energy: -3.021
local terms energy: -510.607668
where:
bonds (distance) C4'-P energy: -102.600
bonds (distance) P-C4' energy: -109.908
flat angles C4'-P-C4' energy: -114.817
flat angles P-C4'-P energy: -65.772
tors. eta vs tors. theta energy: -117.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1470.047437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.047437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.047437 (E_RNA)
where:
Base-Base interactions energy: -1002.666
where: short stacking energy: -425.896
Base-Backbone interact. energy: -1.147
local terms energy: -466.235101
where:
bonds (distance) C4'-P energy: -89.353
bonds (distance) P-C4' energy: -80.930
flat angles C4'-P-C4' energy: -115.886
flat angles P-C4'-P energy: -65.160
tors. eta vs tors. theta energy: -114.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1330.707420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.707420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.707420 (E_RNA)
where:
Base-Base interactions energy: -907.092
where: short stacking energy: -343.288
Base-Backbone interact. energy: 1.993
local terms energy: -425.608190
where:
bonds (distance) C4'-P energy: -75.902
bonds (distance) P-C4' energy: -97.380
flat angles C4'-P-C4' energy: -103.857
flat angles P-C4'-P energy: -75.959
tors. eta vs tors. theta energy: -72.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1293.898971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.898971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.898971 (E_RNA)
where:
Base-Base interactions energy: -848.904
where: short stacking energy: -365.253
Base-Backbone interact. energy: -1.039
local terms energy: -443.955910
where:
bonds (distance) C4'-P energy: -87.081
bonds (distance) P-C4' energy: -86.415
flat angles C4'-P-C4' energy: -103.354
flat angles P-C4'-P energy: -73.204
tors. eta vs tors. theta energy: -93.903
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: 61
Temperature: 1.300000
Total energy: -1046.693854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.693854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.693854 (E_RNA)
where:
Base-Base interactions energy: -662.404
where: short stacking energy: -310.254
Base-Backbone interact. energy: 3.191
local terms energy: -387.480180
where:
bonds (distance) C4'-P energy: -94.152
bonds (distance) P-C4' energy: -99.005
flat angles C4'-P-C4' energy: -87.146
flat angles P-C4'-P energy: -53.424
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: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -678.637614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.637614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.637614 (E_RNA)
where:
Base-Base interactions energy: -381.842
where: short stacking energy: -173.570
Base-Backbone interact. energy: -1.153
local terms energy: -295.643157
where:
bonds (distance) C4'-P energy: -74.961
bonds (distance) P-C4' energy: -86.625
flat angles C4'-P-C4' energy: -84.515
flat angles P-C4'-P energy: -55.359
tors. eta vs tors. theta energy: 5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1861.468933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.468933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.468933 (E_RNA)
where:
Base-Base interactions energy: -1282.844
where: short stacking energy: -553.728
Base-Backbone interact. energy: -1.999
local terms energy: -576.625802
where:
bonds (distance) C4'-P energy: -110.573
bonds (distance) P-C4' energy: -107.557
flat angles C4'-P-C4' energy: -116.018
flat angles P-C4'-P energy: -90.175
tors. eta vs tors. theta energy: -152.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1829.831114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.831114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.831114 (E_RNA)
where:
Base-Base interactions energy: -1239.054
where: short stacking energy: -496.349
Base-Backbone interact. energy: -6.416
local terms energy: -584.360927
where:
bonds (distance) C4'-P energy: -118.173
bonds (distance) P-C4' energy: -108.283
flat angles C4'-P-C4' energy: -120.410
flat angles P-C4'-P energy: -78.719
tors. eta vs tors. theta energy: -158.776
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: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1709.568616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.568616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.568616 (E_RNA)
where:
Base-Base interactions energy: -1169.280
where: short stacking energy: -501.473
Base-Backbone interact. energy: 3.138
local terms energy: -543.426527
where:
bonds (distance) C4'-P energy: -105.913
bonds (distance) P-C4' energy: -105.703
flat angles C4'-P-C4' energy: -111.271
flat angles P-C4'-P energy: -80.654
tors. eta vs tors. theta energy: -139.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1634.140730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.140730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.140730 (E_RNA)
where:
Base-Base interactions energy: -1107.929
where: short stacking energy: -466.854
Base-Backbone interact. energy: -1.882
local terms energy: -524.329949
where:
bonds (distance) C4'-P energy: -109.403
bonds (distance) P-C4' energy: -103.235
flat angles C4'-P-C4' energy: -109.330
flat angles P-C4'-P energy: -70.210
tors. eta vs tors. theta energy: -132.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1581.035500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.035500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.035500 (E_RNA)
where:
Base-Base interactions energy: -1077.213
where: short stacking energy: -445.622
Base-Backbone interact. energy: -4.552
local terms energy: -499.270963
where:
bonds (distance) C4'-P energy: -86.232
bonds (distance) P-C4' energy: -97.164
flat angles C4'-P-C4' energy: -119.867
flat angles P-C4'-P energy: -72.991
tors. eta vs tors. theta energy: -123.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1507.940559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.940559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.940559 (E_RNA)
where:
Base-Base interactions energy: -1009.428
where: short stacking energy: -415.773
Base-Backbone interact. energy: -0.022
local terms energy: -498.489772
where:
bonds (distance) C4'-P energy: -94.825
bonds (distance) P-C4' energy: -103.007
flat angles C4'-P-C4' energy: -112.793
flat angles P-C4'-P energy: -78.521
tors. eta vs tors. theta energy: -109.344
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: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1389.511102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.511102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.511102 (E_RNA)
where:
Base-Base interactions energy: -944.130
where: short stacking energy: -400.559
Base-Backbone interact. energy: 2.013
local terms energy: -447.393702
where:
bonds (distance) C4'-P energy: -87.467
bonds (distance) P-C4' energy: -85.161
flat angles C4'-P-C4' energy: -102.825
flat angles P-C4'-P energy: -70.724
tors. eta vs tors. theta energy: -101.217
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: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1261.017818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.017818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.017818 (E_RNA)
where:
Base-Base interactions energy: -834.519
where: short stacking energy: -374.836
Base-Backbone interact. energy: 1.730
local terms energy: -428.228547
where:
bonds (distance) C4'-P energy: -99.120
bonds (distance) P-C4' energy: -96.325
flat angles C4'-P-C4' energy: -93.200
flat angles P-C4'-P energy: -53.418
tors. eta vs tors. theta energy: -86.166
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: 62
Temperature: 1.300000
Total energy: -1000.494342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.494342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.494342 (E_RNA)
where:
Base-Base interactions energy: -609.088
where: short stacking energy: -264.430
Base-Backbone interact. energy: -2.395
local terms energy: -389.012025
where:
bonds (distance) C4'-P energy: -94.308
bonds (distance) P-C4' energy: -83.454
flat angles C4'-P-C4' energy: -105.302
flat angles P-C4'-P energy: -59.397
tors. eta vs tors. theta energy: -46.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -728.660426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.660426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.660426 (E_RNA)
where:
Base-Base interactions energy: -394.356
where: short stacking energy: -217.970
Base-Backbone interact. energy: -2.513
local terms energy: -331.791705
where:
bonds (distance) C4'-P energy: -71.878
bonds (distance) P-C4' energy: -98.378
flat angles C4'-P-C4' energy: -88.485
flat angles P-C4'-P energy: -58.364
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1872.520076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.520076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.520076 (E_RNA)
where:
Base-Base interactions energy: -1286.656
where: short stacking energy: -522.318
Base-Backbone interact. energy: -4.846
local terms energy: -581.018661
where:
bonds (distance) C4'-P energy: -110.474
bonds (distance) P-C4' energy: -117.580
flat angles C4'-P-C4' energy: -128.179
flat angles P-C4'-P energy: -76.324
tors. eta vs tors. theta energy: -148.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1835.681761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.681761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.681761 (E_RNA)
where:
Base-Base interactions energy: -1254.264
where: short stacking energy: -519.184
Base-Backbone interact. energy: -2.182
local terms energy: -579.235889
where:
bonds (distance) C4'-P energy: -110.290
bonds (distance) P-C4' energy: -108.849
flat angles C4'-P-C4' energy: -112.004
flat angles P-C4'-P energy: -88.964
tors. eta vs tors. theta energy: -159.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1739.750643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.750643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.750643 (E_RNA)
where:
Base-Base interactions energy: -1208.173
where: short stacking energy: -490.187
Base-Backbone interact. energy: -3.852
local terms energy: -527.725352
where:
bonds (distance) C4'-P energy: -101.152
bonds (distance) P-C4' energy: -96.555
flat angles C4'-P-C4' energy: -116.652
flat angles P-C4'-P energy: -70.402
tors. eta vs tors. theta energy: -142.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1625.489999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.489999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.489999 (E_RNA)
where:
Base-Base interactions energy: -1094.489
where: short stacking energy: -479.153
Base-Backbone interact. energy: -2.910
local terms energy: -528.090898
where:
bonds (distance) C4'-P energy: -97.291
bonds (distance) P-C4' energy: -98.822
flat angles C4'-P-C4' energy: -121.806
flat angles P-C4'-P energy: -67.811
tors. eta vs tors. theta energy: -142.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1587.398457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.398457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.398457 (E_RNA)
where:
Base-Base interactions energy: -1083.463
where: short stacking energy: -465.648
Base-Backbone interact. energy: -0.342
local terms energy: -503.593449
where:
bonds (distance) C4'-P energy: -92.398
bonds (distance) P-C4' energy: -91.414
flat angles C4'-P-C4' energy: -118.756
flat angles P-C4'-P energy: -77.942
tors. eta vs tors. theta energy: -123.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1463.903145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.903145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.903145 (E_RNA)
where:
Base-Base interactions energy: -996.407
where: short stacking energy: -407.197
Base-Backbone interact. energy: -2.478
local terms energy: -465.017492
where:
bonds (distance) C4'-P energy: -97.839
bonds (distance) P-C4' energy: -106.881
flat angles C4'-P-C4' energy: -100.543
flat angles P-C4'-P energy: -60.283
tors. eta vs tors. theta energy: -99.471
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: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1310.110217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.110217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.110217 (E_RNA)
where:
Base-Base interactions energy: -891.161
where: short stacking energy: -367.213
Base-Backbone interact. energy: 0.464
local terms energy: -419.413549
where:
bonds (distance) C4'-P energy: -76.473
bonds (distance) P-C4' energy: -94.136
flat angles C4'-P-C4' energy: -99.714
flat angles P-C4'-P energy: -59.953
tors. eta vs tors. theta energy: -89.138
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: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1204.394597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.394597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.394597 (E_RNA)
where:
Base-Base interactions energy: -775.521
where: short stacking energy: -330.453
Base-Backbone interact. energy: -0.885
local terms energy: -427.989532
where:
bonds (distance) C4'-P energy: -88.451
bonds (distance) P-C4' energy: -105.647
flat angles C4'-P-C4' energy: -98.788
flat angles P-C4'-P energy: -52.410
tors. eta vs tors. theta energy: -82.694
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: 63
Temperature: 1.300000
Total energy: -979.902985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.902985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.902985 (E_RNA)
where:
Base-Base interactions energy: -628.690
where: short stacking energy: -271.251
Base-Backbone interact. energy: -0.906
local terms energy: -350.307063
where:
bonds (distance) C4'-P energy: -78.880
bonds (distance) P-C4' energy: -92.082
flat angles C4'-P-C4' energy: -76.566
flat angles P-C4'-P energy: -49.805
tors. eta vs tors. theta energy: -52.974
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: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -690.263632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.263632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.263632 (E_RNA)
where:
Base-Base interactions energy: -393.566
where: short stacking energy: -198.470
Base-Backbone interact. energy: 4.473
local terms energy: -301.170261
where:
bonds (distance) C4'-P energy: -78.755
bonds (distance) P-C4' energy: -88.149
flat angles C4'-P-C4' energy: -81.516
flat angles P-C4'-P energy: -58.721
tors. eta vs tors. theta energy: 5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1850.169550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.169550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.169550 (E_RNA)
where:
Base-Base interactions energy: -1290.992
where: short stacking energy: -545.999
Base-Backbone interact. energy: -2.648
local terms energy: -556.529333
where:
bonds (distance) C4'-P energy: -99.469
bonds (distance) P-C4' energy: -102.969
flat angles C4'-P-C4' energy: -125.213
flat angles P-C4'-P energy: -77.916
tors. eta vs tors. theta energy: -150.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1834.961631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.961631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.961631 (E_RNA)
where:
Base-Base interactions energy: -1267.673
where: short stacking energy: -531.356
Base-Backbone interact. energy: 0.575
local terms energy: -567.863712
where:
bonds (distance) C4'-P energy: -114.273
bonds (distance) P-C4' energy: -97.424
flat angles C4'-P-C4' energy: -119.719
flat angles P-C4'-P energy: -82.253
tors. eta vs tors. theta energy: -154.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1694.443249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.443249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.443249 (E_RNA)
where:
Base-Base interactions energy: -1152.513
where: short stacking energy: -473.657
Base-Backbone interact. energy: -2.899
local terms energy: -539.032152
where:
bonds (distance) C4'-P energy: -101.209
bonds (distance) P-C4' energy: -118.948
flat angles C4'-P-C4' energy: -122.015
flat angles P-C4'-P energy: -62.601
tors. eta vs tors. theta energy: -134.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1586.956763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.956763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.956763 (E_RNA)
where:
Base-Base interactions energy: -1084.692
where: short stacking energy: -463.393
Base-Backbone interact. energy: -1.648
local terms energy: -500.615933
where:
bonds (distance) C4'-P energy: -93.456
bonds (distance) P-C4' energy: -94.299
flat angles C4'-P-C4' energy: -110.061
flat angles P-C4'-P energy: -77.038
tors. eta vs tors. theta energy: -125.761
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: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1554.589902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.589902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.589902 (E_RNA)
where:
Base-Base interactions energy: -1053.445
where: short stacking energy: -450.786
Base-Backbone interact. energy: -1.088
local terms energy: -500.057505
where:
bonds (distance) C4'-P energy: -112.031
bonds (distance) P-C4' energy: -97.114
flat angles C4'-P-C4' energy: -108.249
flat angles P-C4'-P energy: -61.695
tors. eta vs tors. theta energy: -120.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1468.085437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.085437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.085437 (E_RNA)
where:
Base-Base interactions energy: -985.039
where: short stacking energy: -427.453
Base-Backbone interact. energy: 0.208
local terms energy: -483.254093
where:
bonds (distance) C4'-P energy: -90.665
bonds (distance) P-C4' energy: -102.475
flat angles C4'-P-C4' energy: -103.936
flat angles P-C4'-P energy: -65.961
tors. eta vs tors. theta energy: -120.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1343.736989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.736989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.736989 (E_RNA)
where:
Base-Base interactions energy: -883.298
where: short stacking energy: -371.414
Base-Backbone interact. energy: 3.190
local terms energy: -463.629368
where:
bonds (distance) C4'-P energy: -96.971
bonds (distance) P-C4' energy: -105.501
flat angles C4'-P-C4' energy: -101.470
flat angles P-C4'-P energy: -70.072
tors. eta vs tors. theta energy: -89.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1171.619854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.619854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.619854 (E_RNA)
where:
Base-Base interactions energy: -772.487
where: short stacking energy: -291.543
Base-Backbone interact. energy: 1.218
local terms energy: -400.351103
where:
bonds (distance) C4'-P energy: -99.917
bonds (distance) P-C4' energy: -95.960
flat angles C4'-P-C4' energy: -96.084
flat angles P-C4'-P energy: -57.269
tors. eta vs tors. theta energy: -51.121
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: 64
Temperature: 1.300000
Total energy: -1005.599028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.599028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.599028 (E_RNA)
where:
Base-Base interactions energy: -652.274
where: short stacking energy: -308.679
Base-Backbone interact. energy: -1.266
local terms energy: -352.059044
where:
bonds (distance) C4'-P energy: -91.914
bonds (distance) P-C4' energy: -80.408
flat angles C4'-P-C4' energy: -67.495
flat angles P-C4'-P energy: -38.678
tors. eta vs tors. theta energy: -73.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -698.581739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.581739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.581739 (E_RNA)
where:
Base-Base interactions energy: -346.888
where: short stacking energy: -181.756
Base-Backbone interact. energy: 0.260
local terms energy: -351.954251
where:
bonds (distance) C4'-P energy: -80.988
bonds (distance) P-C4' energy: -101.144
flat angles C4'-P-C4' energy: -96.530
flat angles P-C4'-P energy: -50.898
tors. eta vs tors. theta energy: -22.394
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: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1861.673411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.673411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.673411 (E_RNA)
where:
Base-Base interactions energy: -1290.804
where: short stacking energy: -543.511
Base-Backbone interact. energy: -3.908
local terms energy: -566.960760
where:
bonds (distance) C4'-P energy: -111.211
bonds (distance) P-C4' energy: -112.822
flat angles C4'-P-C4' energy: -124.467
flat angles P-C4'-P energy: -80.003
tors. eta vs tors. theta energy: -138.458
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: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1821.848944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.848944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.848944 (E_RNA)
where:
Base-Base interactions energy: -1233.717
where: short stacking energy: -515.204
Base-Backbone interact. energy: -2.457
local terms energy: -585.674255
where:
bonds (distance) C4'-P energy: -105.721
bonds (distance) P-C4' energy: -118.059
flat angles C4'-P-C4' energy: -117.235
flat angles P-C4'-P energy: -90.305
tors. eta vs tors. theta energy: -154.354
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: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1703.583567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.583567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.583567 (E_RNA)
where:
Base-Base interactions energy: -1139.294
where: short stacking energy: -485.730
Base-Backbone interact. energy: -0.762
local terms energy: -563.527614
where:
bonds (distance) C4'-P energy: -99.857
bonds (distance) P-C4' energy: -113.880
flat angles C4'-P-C4' energy: -129.340
flat angles P-C4'-P energy: -73.117
tors. eta vs tors. theta energy: -147.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1580.394339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.394339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.394339 (E_RNA)
where:
Base-Base interactions energy: -1079.764
where: short stacking energy: -449.298
Base-Backbone interact. energy: 2.387
local terms energy: -503.017434
where:
bonds (distance) C4'-P energy: -98.956
bonds (distance) P-C4' energy: -88.285
flat angles C4'-P-C4' energy: -114.590
flat angles P-C4'-P energy: -84.914
tors. eta vs tors. theta energy: -116.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1532.683115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.683115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.683115 (E_RNA)
where:
Base-Base interactions energy: -1054.322
where: short stacking energy: -461.101
Base-Backbone interact. energy: -0.433
local terms energy: -477.927865
where:
bonds (distance) C4'-P energy: -96.144
bonds (distance) P-C4' energy: -90.787
flat angles C4'-P-C4' energy: -118.086
flat angles P-C4'-P energy: -55.355
tors. eta vs tors. theta energy: -117.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1478.109756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.109756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.109756 (E_RNA)
where:
Base-Base interactions energy: -997.563
where: short stacking energy: -410.865
Base-Backbone interact. energy: -1.146
local terms energy: -479.400901
where:
bonds (distance) C4'-P energy: -94.238
bonds (distance) P-C4' energy: -91.746
flat angles C4'-P-C4' energy: -104.751
flat angles P-C4'-P energy: -69.048
tors. eta vs tors. theta energy: -119.619
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: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1351.988894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.988894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.988894 (E_RNA)
where:
Base-Base interactions energy: -891.181
where: short stacking energy: -392.748
Base-Backbone interact. energy: -0.644
local terms energy: -460.164037
where:
bonds (distance) C4'-P energy: -105.054
bonds (distance) P-C4' energy: -80.191
flat angles C4'-P-C4' energy: -109.099
flat angles P-C4'-P energy: -64.635
tors. eta vs tors. theta energy: -101.185
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: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1189.267017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.267017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.267017 (E_RNA)
where:
Base-Base interactions energy: -811.730
where: short stacking energy: -322.882
Base-Backbone interact. energy: -2.700
local terms energy: -374.837192
where:
bonds (distance) C4'-P energy: -83.268
bonds (distance) P-C4' energy: -75.564
flat angles C4'-P-C4' energy: -86.405
flat angles P-C4'-P energy: -58.218
tors. eta vs tors. theta energy: -71.382
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: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -981.469159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.469159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.469159 (E_RNA)
where:
Base-Base interactions energy: -621.574
where: short stacking energy: -275.831
Base-Backbone interact. energy: -3.475
local terms energy: -356.420158
where:
bonds (distance) C4'-P energy: -91.897
bonds (distance) P-C4' energy: -88.665
flat angles C4'-P-C4' energy: -87.728
flat angles P-C4'-P energy: -43.225
tors. eta vs tors. theta energy: -44.905
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: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -725.945610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.945610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.945610 (E_RNA)
where:
Base-Base interactions energy: -393.688
where: short stacking energy: -176.543
Base-Backbone interact. energy: -2.264
local terms energy: -329.993834
where:
bonds (distance) C4'-P energy: -83.228
bonds (distance) P-C4' energy: -106.095
flat angles C4'-P-C4' energy: -92.728
flat angles P-C4'-P energy: -49.187
tors. eta vs tors. theta energy: 1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1848.773600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.773600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.773600 (E_RNA)
where:
Base-Base interactions energy: -1261.576
where: short stacking energy: -527.070
Base-Backbone interact. energy: -3.643
local terms energy: -583.554385
where:
bonds (distance) C4'-P energy: -115.816
bonds (distance) P-C4' energy: -113.444
flat angles C4'-P-C4' energy: -123.522
flat angles P-C4'-P energy: -80.576
tors. eta vs tors. theta energy: -150.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1835.149177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.149177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.149177 (E_RNA)
where:
Base-Base interactions energy: -1261.828
where: short stacking energy: -512.109
Base-Backbone interact. energy: -5.283
local terms energy: -568.038275
where:
bonds (distance) C4'-P energy: -109.766
bonds (distance) P-C4' energy: -104.566
flat angles C4'-P-C4' energy: -117.483
flat angles P-C4'-P energy: -88.754
tors. eta vs tors. theta energy: -147.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1700.299555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.299555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.299555 (E_RNA)
where:
Base-Base interactions energy: -1170.939
where: short stacking energy: -485.489
Base-Backbone interact. energy: -3.102
local terms energy: -526.258794
where:
bonds (distance) C4'-P energy: -94.130
bonds (distance) P-C4' energy: -93.990
flat angles C4'-P-C4' energy: -118.143
flat angles P-C4'-P energy: -83.831
tors. eta vs tors. theta energy: -136.165
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: 66
Temperature: 1.050000
Total energy: -1569.336328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.336328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.336328 (E_RNA)
where:
Base-Base interactions energy: -1049.485
where: short stacking energy: -460.566
Base-Backbone interact. energy: -2.606
local terms energy: -517.244821
where:
bonds (distance) C4'-P energy: -105.426
bonds (distance) P-C4' energy: -89.765
flat angles C4'-P-C4' energy: -120.649
flat angles P-C4'-P energy: -75.730
tors. eta vs tors. theta energy: -125.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1574.283660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.283660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.283660 (E_RNA)
where:
Base-Base interactions energy: -1084.431
where: short stacking energy: -423.669
Base-Backbone interact. energy: -5.644
local terms energy: -484.208141
where:
bonds (distance) C4'-P energy: -99.270
bonds (distance) P-C4' energy: -96.800
flat angles C4'-P-C4' energy: -106.823
flat angles P-C4'-P energy: -66.952
tors. eta vs tors. theta energy: -114.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1464.616727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.616727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.616727 (E_RNA)
where:
Base-Base interactions energy: -980.262
where: short stacking energy: -397.309
Base-Backbone interact. energy: -2.639
local terms energy: -481.715898
where:
bonds (distance) C4'-P energy: -92.705
bonds (distance) P-C4' energy: -108.612
flat angles C4'-P-C4' energy: -109.703
flat angles P-C4'-P energy: -65.342
tors. eta vs tors. theta energy: -105.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1353.611374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.611374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.611374 (E_RNA)
where:
Base-Base interactions energy: -884.692
where: short stacking energy: -380.465
Base-Backbone interact. energy: -1.419
local terms energy: -467.499838
where:
bonds (distance) C4'-P energy: -104.120
bonds (distance) P-C4' energy: -93.529
flat angles C4'-P-C4' energy: -110.765
flat angles P-C4'-P energy: -61.195
tors. eta vs tors. theta energy: -97.891
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: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1224.871400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.871400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.871400 (E_RNA)
where:
Base-Base interactions energy: -819.898
where: short stacking energy: -340.956
Base-Backbone interact. energy: -1.630
local terms energy: -403.343486
where:
bonds (distance) C4'-P energy: -85.821
bonds (distance) P-C4' energy: -85.184
flat angles C4'-P-C4' energy: -108.421
flat angles P-C4'-P energy: -54.025
tors. eta vs tors. theta energy: -69.894
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: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1047.294889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.294889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.294889 (E_RNA)
where:
Base-Base interactions energy: -652.287
where: short stacking energy: -305.723
Base-Backbone interact. energy: -1.284
local terms energy: -393.724027
where:
bonds (distance) C4'-P energy: -80.838
bonds (distance) P-C4' energy: -99.488
flat angles C4'-P-C4' energy: -83.087
flat angles P-C4'-P energy: -67.081
tors. eta vs tors. theta energy: -63.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -753.631941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.631941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.631941 (E_RNA)
where:
Base-Base interactions energy: -453.752
where: short stacking energy: -198.286
Base-Backbone interact. energy: 2.565
local terms energy: -302.444226
where:
bonds (distance) C4'-P energy: -78.261
bonds (distance) P-C4' energy: -77.741
flat angles C4'-P-C4' energy: -89.095
flat angles P-C4'-P energy: -53.375
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1841.024599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.024599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.024599 (E_RNA)
where:
Base-Base interactions energy: -1274.848
where: short stacking energy: -556.630
Base-Backbone interact. energy: -2.196
local terms energy: -563.981465
where:
bonds (distance) C4'-P energy: -104.870
bonds (distance) P-C4' energy: -105.222
flat angles C4'-P-C4' energy: -120.601
flat angles P-C4'-P energy: -72.810
tors. eta vs tors. theta energy: -160.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1805.625535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.625535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.625535 (E_RNA)
where:
Base-Base interactions energy: -1265.780
where: short stacking energy: -518.013
Base-Backbone interact. energy: -3.175
local terms energy: -536.670026
where:
bonds (distance) C4'-P energy: -101.880
bonds (distance) P-C4' energy: -110.277
flat angles C4'-P-C4' energy: -122.870
flat angles P-C4'-P energy: -72.786
tors. eta vs tors. theta energy: -128.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1725.760635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.760635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.760635 (E_RNA)
where:
Base-Base interactions energy: -1186.031
where: short stacking energy: -503.172
Base-Backbone interact. energy: 1.495
local terms energy: -541.224279
where:
bonds (distance) C4'-P energy: -110.973
bonds (distance) P-C4' energy: -110.648
flat angles C4'-P-C4' energy: -106.691
flat angles P-C4'-P energy: -66.939
tors. eta vs tors. theta energy: -145.974
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: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1598.146719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.146719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.146719 (E_RNA)
where:
Base-Base interactions energy: -1103.389
where: short stacking energy: -445.370
Base-Backbone interact. energy: -0.247
local terms energy: -494.510551
where:
bonds (distance) C4'-P energy: -97.041
bonds (distance) P-C4' energy: -104.071
flat angles C4'-P-C4' energy: -114.683
flat angles P-C4'-P energy: -64.833
tors. eta vs tors. theta energy: -113.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1533.930200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.930200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.930200 (E_RNA)
where:
Base-Base interactions energy: -1049.213
where: short stacking energy: -448.288
Base-Backbone interact. energy: -2.266
local terms energy: -482.450685
where:
bonds (distance) C4'-P energy: -91.609
bonds (distance) P-C4' energy: -92.718
flat angles C4'-P-C4' energy: -106.270
flat angles P-C4'-P energy: -72.375
tors. eta vs tors. theta energy: -119.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1503.953215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.953215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.953215 (E_RNA)
where:
Base-Base interactions energy: -1022.465
where: short stacking energy: -426.859
Base-Backbone interact. energy: -2.097
local terms energy: -479.392015
where:
bonds (distance) C4'-P energy: -88.958
bonds (distance) P-C4' energy: -97.511
flat angles C4'-P-C4' energy: -108.192
flat angles P-C4'-P energy: -56.270
tors. eta vs tors. theta energy: -128.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1326.867277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.867277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.867277 (E_RNA)
where:
Base-Base interactions energy: -882.324
where: short stacking energy: -355.890
Base-Backbone interact. energy: -0.608
local terms energy: -443.935078
where:
bonds (distance) C4'-P energy: -97.283
bonds (distance) P-C4' energy: -94.584
flat angles C4'-P-C4' energy: -103.635
flat angles P-C4'-P energy: -72.980
tors. eta vs tors. theta energy: -75.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1232.627098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.627098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.627098 (E_RNA)
where:
Base-Base interactions energy: -824.454
where: short stacking energy: -364.427
Base-Backbone interact. energy: -2.252
local terms energy: -405.921062
where:
bonds (distance) C4'-P energy: -98.612
bonds (distance) P-C4' energy: -95.832
flat angles C4'-P-C4' energy: -98.494
flat angles P-C4'-P energy: -45.250
tors. eta vs tors. theta energy: -67.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1009.556127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.556127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.556127 (E_RNA)
where:
Base-Base interactions energy: -636.653
where: short stacking energy: -260.196
Base-Backbone interact. energy: -0.879
local terms energy: -372.024696
where:
bonds (distance) C4'-P energy: -98.966
bonds (distance) P-C4' energy: -94.555
flat angles C4'-P-C4' energy: -84.287
flat angles P-C4'-P energy: -56.563
tors. eta vs tors. theta energy: -37.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -751.004874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.004874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.004874 (E_RNA)
where:
Base-Base interactions energy: -412.904
where: short stacking energy: -209.168
Base-Backbone interact. energy: -2.511
local terms energy: -335.590274
where:
bonds (distance) C4'-P energy: -101.706
bonds (distance) P-C4' energy: -93.856
flat angles C4'-P-C4' energy: -70.924
flat angles P-C4'-P energy: -51.516
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1861.278177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.278177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.278177 (E_RNA)
where:
Base-Base interactions energy: -1287.335
where: short stacking energy: -538.240
Base-Backbone interact. energy: -2.715
local terms energy: -571.227511
where:
bonds (distance) C4'-P energy: -103.099
bonds (distance) P-C4' energy: -108.010
flat angles C4'-P-C4' energy: -119.244
flat angles P-C4'-P energy: -83.177
tors. eta vs tors. theta energy: -157.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1833.892634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.892634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.892634 (E_RNA)
where:
Base-Base interactions energy: -1257.165
where: short stacking energy: -520.026
Base-Backbone interact. energy: -2.720
local terms energy: -574.007734
where:
bonds (distance) C4'-P energy: -108.967
bonds (distance) P-C4' energy: -102.071
flat angles C4'-P-C4' energy: -124.831
flat angles P-C4'-P energy: -75.112
tors. eta vs tors. theta energy: -163.025
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: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1728.700905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.700905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.700905 (E_RNA)
where:
Base-Base interactions energy: -1171.365
where: short stacking energy: -480.948
Base-Backbone interact. energy: -4.138
local terms energy: -553.198712
where:
bonds (distance) C4'-P energy: -110.111
bonds (distance) P-C4' energy: -105.599
flat angles C4'-P-C4' energy: -120.371
flat angles P-C4'-P energy: -84.615
tors. eta vs tors. theta energy: -132.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1569.483648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.483648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.483648 (E_RNA)
where:
Base-Base interactions energy: -1064.942
where: short stacking energy: -430.621
Base-Backbone interact. energy: 0.089
local terms energy: -504.630559
where:
bonds (distance) C4'-P energy: -92.979
bonds (distance) P-C4' energy: -95.464
flat angles C4'-P-C4' energy: -117.679
flat angles P-C4'-P energy: -78.912
tors. eta vs tors. theta energy: -119.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1566.462004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.462004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.462004 (E_RNA)
where:
Base-Base interactions energy: -1056.509
where: short stacking energy: -453.817
Base-Backbone interact. energy: -1.639
local terms energy: -508.314385
where:
bonds (distance) C4'-P energy: -106.643
bonds (distance) P-C4' energy: -100.627
flat angles C4'-P-C4' energy: -110.666
flat angles P-C4'-P energy: -76.785
tors. eta vs tors. theta energy: -113.593
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: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1465.178243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.178243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.178243 (E_RNA)
where:
Base-Base interactions energy: -995.837
where: short stacking energy: -428.982
Base-Backbone interact. energy: -2.638
local terms energy: -466.703317
where:
bonds (distance) C4'-P energy: -100.504
bonds (distance) P-C4' energy: -88.590
flat angles C4'-P-C4' energy: -100.121
flat angles P-C4'-P energy: -66.174
tors. eta vs tors. theta energy: -111.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1407.773362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.773362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.773362 (E_RNA)
where:
Base-Base interactions energy: -951.900
where: short stacking energy: -412.317
Base-Backbone interact. energy: -2.218
local terms energy: -453.655225
where:
bonds (distance) C4'-P energy: -91.510
bonds (distance) P-C4' energy: -84.261
flat angles C4'-P-C4' energy: -114.100
flat angles P-C4'-P energy: -63.340
tors. eta vs tors. theta energy: -100.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1250.376815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.376815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.376815 (E_RNA)
where:
Base-Base interactions energy: -873.300
where: short stacking energy: -362.583
Base-Backbone interact. energy: 1.246
local terms energy: -378.322862
where:
bonds (distance) C4'-P energy: -72.687
bonds (distance) P-C4' energy: -71.983
flat angles C4'-P-C4' energy: -93.094
flat angles P-C4'-P energy: -52.433
tors. eta vs tors. theta energy: -88.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1001.192056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.192056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.192056 (E_RNA)
where:
Base-Base interactions energy: -654.054
where: short stacking energy: -284.884
Base-Backbone interact. energy: -0.781
local terms energy: -346.357753
where:
bonds (distance) C4'-P energy: -96.648
bonds (distance) P-C4' energy: -82.379
flat angles C4'-P-C4' energy: -68.958
flat angles P-C4'-P energy: -41.721
tors. eta vs tors. theta energy: -56.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -728.254344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.254344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.254344 (E_RNA)
where:
Base-Base interactions energy: -412.743
where: short stacking energy: -220.146
Base-Backbone interact. energy: 0.140
local terms energy: -315.652095
where:
bonds (distance) C4'-P energy: -75.228
bonds (distance) P-C4' energy: -84.791
flat angles C4'-P-C4' energy: -76.989
flat angles P-C4'-P energy: -47.746
tors. eta vs tors. theta energy: -30.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1871.418719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.418719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.418719 (E_RNA)
where:
Base-Base interactions energy: -1285.003
where: short stacking energy: -536.861
Base-Backbone interact. energy: -2.753
local terms energy: -583.662932
where:
bonds (distance) C4'-P energy: -105.770
bonds (distance) P-C4' energy: -119.441
flat angles C4'-P-C4' energy: -123.106
flat angles P-C4'-P energy: -80.864
tors. eta vs tors. theta energy: -154.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1829.195890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.195890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.195890 (E_RNA)
where:
Base-Base interactions energy: -1262.270
where: short stacking energy: -520.883
Base-Backbone interact. energy: -2.448
local terms energy: -564.478455
where:
bonds (distance) C4'-P energy: -107.528
bonds (distance) P-C4' energy: -107.992
flat angles C4'-P-C4' energy: -122.141
flat angles P-C4'-P energy: -78.184
tors. eta vs tors. theta energy: -148.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1723.989498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.989498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.989498 (E_RNA)
where:
Base-Base interactions energy: -1174.598
where: short stacking energy: -484.559
Base-Backbone interact. energy: -1.809
local terms energy: -547.581706
where:
bonds (distance) C4'-P energy: -95.077
bonds (distance) P-C4' energy: -97.927
flat angles C4'-P-C4' energy: -122.929
flat angles P-C4'-P energy: -85.498
tors. eta vs tors. theta energy: -146.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1610.915593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.915593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.915593 (E_RNA)
where:
Base-Base interactions energy: -1067.539
where: short stacking energy: -453.904
Base-Backbone interact. energy: -4.821
local terms energy: -538.555697
where:
bonds (distance) C4'-P energy: -104.224
bonds (distance) P-C4' energy: -109.684
flat angles C4'-P-C4' energy: -114.301
flat angles P-C4'-P energy: -88.846
tors. eta vs tors. theta energy: -121.501
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: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1582.765536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.765536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.765536 (E_RNA)
where:
Base-Base interactions energy: -1061.876
where: short stacking energy: -454.508
Base-Backbone interact. energy: -4.499
local terms energy: -516.390581
where:
bonds (distance) C4'-P energy: -97.721
bonds (distance) P-C4' energy: -110.763
flat angles C4'-P-C4' energy: -107.554
flat angles P-C4'-P energy: -78.247
tors. eta vs tors. theta energy: -122.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1465.804177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.804177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.804177 (E_RNA)
where:
Base-Base interactions energy: -989.076
where: short stacking energy: -451.276
Base-Backbone interact. energy: 6.973
local terms energy: -483.701375
where:
bonds (distance) C4'-P energy: -104.780
bonds (distance) P-C4' energy: -78.318
flat angles C4'-P-C4' energy: -115.913
flat angles P-C4'-P energy: -68.870
tors. eta vs tors. theta energy: -115.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1405.597209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.597209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.597209 (E_RNA)
where:
Base-Base interactions energy: -928.611
where: short stacking energy: -422.543
Base-Backbone interact. energy: -2.038
local terms energy: -474.948357
where:
bonds (distance) C4'-P energy: -92.891
bonds (distance) P-C4' energy: -91.714
flat angles C4'-P-C4' energy: -109.897
flat angles P-C4'-P energy: -67.817
tors. eta vs tors. theta energy: -112.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1223.544920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.544920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.544920 (E_RNA)
where:
Base-Base interactions energy: -836.939
where: short stacking energy: -367.382
Base-Backbone interact. energy: 3.886
local terms energy: -390.492295
where:
bonds (distance) C4'-P energy: -89.407
bonds (distance) P-C4' energy: -79.644
flat angles C4'-P-C4' energy: -101.335
flat angles P-C4'-P energy: -52.333
tors. eta vs tors. theta energy: -67.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -965.755392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.755392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.755392 (E_RNA)
where:
Base-Base interactions energy: -613.111
where: short stacking energy: -284.714
Base-Backbone interact. energy: -2.290
local terms energy: -350.353899
where:
bonds (distance) C4'-P energy: -72.340
bonds (distance) P-C4' energy: -93.547
flat angles C4'-P-C4' energy: -90.777
flat angles P-C4'-P energy: -48.015
tors. eta vs tors. theta energy: -45.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -756.304369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.304369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.304369 (E_RNA)
where:
Base-Base interactions energy: -446.369
where: short stacking energy: -211.007
Base-Backbone interact. energy: -0.156
local terms energy: -309.779651
where:
bonds (distance) C4'-P energy: -66.373
bonds (distance) P-C4' energy: -87.050
flat angles C4'-P-C4' energy: -82.348
flat angles P-C4'-P energy: -50.321
tors. eta vs tors. theta energy: -23.688
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: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1865.164596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.164596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.164596 (E_RNA)
where:
Base-Base interactions energy: -1282.991
where: short stacking energy: -520.670
Base-Backbone interact. energy: -1.773
local terms energy: -580.400792
where:
bonds (distance) C4'-P energy: -111.178
bonds (distance) P-C4' energy: -103.175
flat angles C4'-P-C4' energy: -122.732
flat angles P-C4'-P energy: -83.645
tors. eta vs tors. theta energy: -159.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1819.930743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.930743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.930743 (E_RNA)
where:
Base-Base interactions energy: -1253.536
where: short stacking energy: -516.022
Base-Backbone interact. energy: -5.473
local terms energy: -560.922039
where:
bonds (distance) C4'-P energy: -92.635
bonds (distance) P-C4' energy: -109.666
flat angles C4'-P-C4' energy: -127.191
flat angles P-C4'-P energy: -86.381
tors. eta vs tors. theta energy: -145.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1711.978483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.978483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.978483 (E_RNA)
where:
Base-Base interactions energy: -1166.909
where: short stacking energy: -499.028
Base-Backbone interact. energy: -3.300
local terms energy: -541.769422
where:
bonds (distance) C4'-P energy: -114.429
bonds (distance) P-C4' energy: -98.432
flat angles C4'-P-C4' energy: -109.628
flat angles P-C4'-P energy: -74.915
tors. eta vs tors. theta energy: -144.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1590.809620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.809620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.809620 (E_RNA)
where:
Base-Base interactions energy: -1064.914
where: short stacking energy: -441.869
Base-Backbone interact. energy: -1.652
local terms energy: -524.243717
where:
bonds (distance) C4'-P energy: -106.561
bonds (distance) P-C4' energy: -102.532
flat angles C4'-P-C4' energy: -123.171
flat angles P-C4'-P energy: -75.516
tors. eta vs tors. theta energy: -116.464
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: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1587.697144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.697144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.697144 (E_RNA)
where:
Base-Base interactions energy: -1081.095
where: short stacking energy: -469.210
Base-Backbone interact. energy: -0.946
local terms energy: -505.656525
where:
bonds (distance) C4'-P energy: -91.231
bonds (distance) P-C4' energy: -100.732
flat angles C4'-P-C4' energy: -111.650
flat angles P-C4'-P energy: -64.092
tors. eta vs tors. theta energy: -137.952
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: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1455.165759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.165759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.165759 (E_RNA)
where:
Base-Base interactions energy: -994.697
where: short stacking energy: -412.845
Base-Backbone interact. energy: -0.941
local terms energy: -459.527411
where:
bonds (distance) C4'-P energy: -90.450
bonds (distance) P-C4' energy: -77.184
flat angles C4'-P-C4' energy: -113.429
flat angles P-C4'-P energy: -72.158
tors. eta vs tors. theta energy: -106.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1457.496068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.496068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.496068 (E_RNA)
where:
Base-Base interactions energy: -984.473
where: short stacking energy: -400.264
Base-Backbone interact. energy: -0.488
local terms energy: -472.535033
where:
bonds (distance) C4'-P energy: -96.828
bonds (distance) P-C4' energy: -102.912
flat angles C4'-P-C4' energy: -105.079
flat angles P-C4'-P energy: -58.782
tors. eta vs tors. theta energy: -108.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1204.972180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.972180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.972180 (E_RNA)
where:
Base-Base interactions energy: -819.870
where: short stacking energy: -323.154
Base-Backbone interact. energy: -2.731
local terms energy: -382.371157
where:
bonds (distance) C4'-P energy: -82.152
bonds (distance) P-C4' energy: -90.600
flat angles C4'-P-C4' energy: -102.845
flat angles P-C4'-P energy: -46.943
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: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1012.293323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.293323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.293323 (E_RNA)
where:
Base-Base interactions energy: -638.222
where: short stacking energy: -266.929
Base-Backbone interact. energy: 0.846
local terms energy: -374.917456
where:
bonds (distance) C4'-P energy: -70.576
bonds (distance) P-C4' energy: -106.790
flat angles C4'-P-C4' energy: -95.036
flat angles P-C4'-P energy: -50.679
tors. eta vs tors. theta energy: -51.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -760.555796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.555796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.555796 (E_RNA)
where:
Base-Base interactions energy: -429.803
where: short stacking energy: -207.350
Base-Backbone interact. energy: 0.500
local terms energy: -331.252598
where:
bonds (distance) C4'-P energy: -91.214
bonds (distance) P-C4' energy: -86.565
flat angles C4'-P-C4' energy: -85.899
flat angles P-C4'-P energy: -49.836
tors. eta vs tors. theta energy: -17.737
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: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1863.868681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.868681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.868681 (E_RNA)
where:
Base-Base interactions energy: -1279.969
where: short stacking energy: -528.457
Base-Backbone interact. energy: -4.050
local terms energy: -579.849599
where:
bonds (distance) C4'-P energy: -110.999
bonds (distance) P-C4' energy: -114.180
flat angles C4'-P-C4' energy: -125.615
flat angles P-C4'-P energy: -75.190
tors. eta vs tors. theta energy: -153.865
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: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1831.459534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.459534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.459534 (E_RNA)
where:
Base-Base interactions energy: -1292.523
where: short stacking energy: -527.236
Base-Backbone interact. energy: -5.911
local terms energy: -533.026066
where:
bonds (distance) C4'-P energy: -84.844
bonds (distance) P-C4' energy: -105.098
flat angles C4'-P-C4' energy: -123.553
flat angles P-C4'-P energy: -71.351
tors. eta vs tors. theta energy: -148.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1757.201532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.201532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.201532 (E_RNA)
where:
Base-Base interactions energy: -1220.422
where: short stacking energy: -500.596
Base-Backbone interact. energy: 1.281
local terms energy: -538.061134
where:
bonds (distance) C4'-P energy: -101.633
bonds (distance) P-C4' energy: -99.194
flat angles C4'-P-C4' energy: -123.187
flat angles P-C4'-P energy: -74.549
tors. eta vs tors. theta energy: -139.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1687.603086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.603086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.603086 (E_RNA)
where:
Base-Base interactions energy: -1166.252
where: short stacking energy: -515.668
Base-Backbone interact. energy: -0.007
local terms energy: -521.343654
where:
bonds (distance) C4'-P energy: -101.055
bonds (distance) P-C4' energy: -89.429
flat angles C4'-P-C4' energy: -113.055
flat angles P-C4'-P energy: -84.263
tors. eta vs tors. theta energy: -133.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1563.172956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.172956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.172956 (E_RNA)
where:
Base-Base interactions energy: -1065.030
where: short stacking energy: -452.162
Base-Backbone interact. energy: -1.866
local terms energy: -496.277163
where:
bonds (distance) C4'-P energy: -106.785
bonds (distance) P-C4' energy: -112.411
flat angles C4'-P-C4' energy: -100.888
flat angles P-C4'-P energy: -61.443
tors. eta vs tors. theta energy: -114.751
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: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1493.219617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.219617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.219617 (E_RNA)
where:
Base-Base interactions energy: -1036.705
where: short stacking energy: -436.005
Base-Backbone interact. energy: 3.117
local terms energy: -459.632323
where:
bonds (distance) C4'-P energy: -92.142
bonds (distance) P-C4' energy: -91.106
flat angles C4'-P-C4' energy: -98.452
flat angles P-C4'-P energy: -59.549
tors. eta vs tors. theta energy: -118.384
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: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1432.395089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.395089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.395089 (E_RNA)
where:
Base-Base interactions energy: -987.976
where: short stacking energy: -439.056
Base-Backbone interact. energy: -2.431
local terms energy: -441.987648
where:
bonds (distance) C4'-P energy: -87.069
bonds (distance) P-C4' energy: -94.366
flat angles C4'-P-C4' energy: -101.044
flat angles P-C4'-P energy: -64.460
tors. eta vs tors. theta energy: -95.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1201.959520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.959520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.959520 (E_RNA)
where:
Base-Base interactions energy: -814.422
where: short stacking energy: -348.869
Base-Backbone interact. energy: -0.426
local terms energy: -387.110932
where:
bonds (distance) C4'-P energy: -93.569
bonds (distance) P-C4' energy: -70.045
flat angles C4'-P-C4' energy: -91.133
flat angles P-C4'-P energy: -61.230
tors. eta vs tors. theta energy: -71.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -985.233512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.233512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.233512 (E_RNA)
where:
Base-Base interactions energy: -646.446
where: short stacking energy: -298.237
Base-Backbone interact. energy: 0.223
local terms energy: -339.010696
where:
bonds (distance) C4'-P energy: -105.086
bonds (distance) P-C4' energy: -64.591
flat angles C4'-P-C4' energy: -81.647
flat angles P-C4'-P energy: -46.992
tors. eta vs tors. theta energy: -40.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -704.653611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.653611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.653611 (E_RNA)
where:
Base-Base interactions energy: -368.997
where: short stacking energy: -184.377
Base-Backbone interact. energy: 1.383
local terms energy: -337.039990
where:
bonds (distance) C4'-P energy: -109.108
bonds (distance) P-C4' energy: -90.560
flat angles C4'-P-C4' energy: -74.395
flat angles P-C4'-P energy: -54.835
tors. eta vs tors. theta energy: -8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1834.949116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.949116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.949116 (E_RNA)
where:
Base-Base interactions energy: -1265.699
where: short stacking energy: -523.804
Base-Backbone interact. energy: -4.044
local terms energy: -565.205769
where:
bonds (distance) C4'-P energy: -99.131
bonds (distance) P-C4' energy: -100.570
flat angles C4'-P-C4' energy: -119.068
flat angles P-C4'-P energy: -88.753
tors. eta vs tors. theta energy: -157.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1831.859538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.859538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.859538 (E_RNA)
where:
Base-Base interactions energy: -1253.292
where: short stacking energy: -534.550
Base-Backbone interact. energy: -4.183
local terms energy: -574.384817
where:
bonds (distance) C4'-P energy: -111.792
bonds (distance) P-C4' energy: -109.446
flat angles C4'-P-C4' energy: -121.285
flat angles P-C4'-P energy: -74.721
tors. eta vs tors. theta energy: -157.141
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: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1685.997808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.997808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.997808 (E_RNA)
where:
Base-Base interactions energy: -1158.195
where: short stacking energy: -494.399
Base-Backbone interact. energy: 1.649
local terms energy: -529.452355
where:
bonds (distance) C4'-P energy: -105.647
bonds (distance) P-C4' energy: -90.026
flat angles C4'-P-C4' energy: -126.537
flat angles P-C4'-P energy: -71.080
tors. eta vs tors. theta energy: -136.162
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: 72
Temperature: 1.050000
Total energy: -1692.770681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.770681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.770681 (E_RNA)
where:
Base-Base interactions energy: -1150.278
where: short stacking energy: -503.075
Base-Backbone interact. energy: -3.543
local terms energy: -538.949948
where:
bonds (distance) C4'-P energy: -100.239
bonds (distance) P-C4' energy: -111.136
flat angles C4'-P-C4' energy: -117.887
flat angles P-C4'-P energy: -80.136
tors. eta vs tors. theta energy: -129.552
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: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1568.417251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.417251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.417251 (E_RNA)
where:
Base-Base interactions energy: -1065.382
where: short stacking energy: -443.119
Base-Backbone interact. energy: -3.370
local terms energy: -499.665382
where:
bonds (distance) C4'-P energy: -92.069
bonds (distance) P-C4' energy: -85.575
flat angles C4'-P-C4' energy: -118.444
flat angles P-C4'-P energy: -71.302
tors. eta vs tors. theta energy: -132.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1487.237515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.237515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.237515 (E_RNA)
where:
Base-Base interactions energy: -1021.909
where: short stacking energy: -420.102
Base-Backbone interact. energy: 2.487
local terms energy: -467.815400
where:
bonds (distance) C4'-P energy: -86.765
bonds (distance) P-C4' energy: -90.476
flat angles C4'-P-C4' energy: -110.034
flat angles P-C4'-P energy: -72.024
tors. eta vs tors. theta energy: -108.517
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: 72
Temperature: 1.200000
Total energy: -1410.035846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.035846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.035846 (E_RNA)
where:
Base-Base interactions energy: -923.484
where: short stacking energy: -404.029
Base-Backbone interact. energy: -0.253
local terms energy: -486.298988
where:
bonds (distance) C4'-P energy: -102.311
bonds (distance) P-C4' energy: -108.528
flat angles C4'-P-C4' energy: -103.043
flat angles P-C4'-P energy: -65.903
tors. eta vs tors. theta energy: -106.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1209.391322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.391322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.391322 (E_RNA)
where:
Base-Base interactions energy: -823.956
where: short stacking energy: -359.836
Base-Backbone interact. energy: -2.214
local terms energy: -383.221280
where:
bonds (distance) C4'-P energy: -79.788
bonds (distance) P-C4' energy: -87.935
flat angles C4'-P-C4' energy: -87.471
flat angles P-C4'-P energy: -52.209
tors. eta vs tors. theta energy: -75.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1045.529864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.529864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.529864 (E_RNA)
where:
Base-Base interactions energy: -671.411
where: short stacking energy: -300.668
Base-Backbone interact. energy: -0.418
local terms energy: -373.700946
where:
bonds (distance) C4'-P energy: -80.086
bonds (distance) P-C4' energy: -92.345
flat angles C4'-P-C4' energy: -88.345
flat angles P-C4'-P energy: -53.759
tors. eta vs tors. theta energy: -59.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -671.756747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.756747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.756747 (E_RNA)
where:
Base-Base interactions energy: -370.117
where: short stacking energy: -181.051
Base-Backbone interact. energy: 2.680
local terms energy: -304.320064
where:
bonds (distance) C4'-P energy: -83.361
bonds (distance) P-C4' energy: -98.903
flat angles C4'-P-C4' energy: -73.913
flat angles P-C4'-P energy: -49.392
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1854.588072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.588072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.588072 (E_RNA)
where:
Base-Base interactions energy: -1290.382
where: short stacking energy: -532.221
Base-Backbone interact. energy: -4.931
local terms energy: -559.274899
where:
bonds (distance) C4'-P energy: -108.876
bonds (distance) P-C4' energy: -100.302
flat angles C4'-P-C4' energy: -128.917
flat angles P-C4'-P energy: -78.398
tors. eta vs tors. theta energy: -142.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1823.931771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.931771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.931771 (E_RNA)
where:
Base-Base interactions energy: -1276.021
where: short stacking energy: -506.225
Base-Backbone interact. energy: -2.617
local terms energy: -545.293919
where:
bonds (distance) C4'-P energy: -98.513
bonds (distance) P-C4' energy: -114.098
flat angles C4'-P-C4' energy: -123.948
flat angles P-C4'-P energy: -71.453
tors. eta vs tors. theta energy: -137.282
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: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1702.515478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.515478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.515478 (E_RNA)
where:
Base-Base interactions energy: -1158.709
where: short stacking energy: -496.302
Base-Backbone interact. energy: -2.551
local terms energy: -541.255332
where:
bonds (distance) C4'-P energy: -104.826
bonds (distance) P-C4' energy: -96.102
flat angles C4'-P-C4' energy: -117.398
flat angles P-C4'-P energy: -79.906
tors. eta vs tors. theta energy: -143.023
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: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1651.659723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.659723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.659723 (E_RNA)
where:
Base-Base interactions energy: -1114.842
where: short stacking energy: -479.683
Base-Backbone interact. energy: -2.547
local terms energy: -534.270799
where:
bonds (distance) C4'-P energy: -96.404
bonds (distance) P-C4' energy: -118.179
flat angles C4'-P-C4' energy: -100.219
flat angles P-C4'-P energy: -79.215
tors. eta vs tors. theta energy: -140.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1517.635089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.635089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.635089 (E_RNA)
where:
Base-Base interactions energy: -1026.115
where: short stacking energy: -436.485
Base-Backbone interact. energy: -2.094
local terms energy: -489.426060
where:
bonds (distance) C4'-P energy: -100.714
bonds (distance) P-C4' energy: -100.790
flat angles C4'-P-C4' energy: -107.202
flat angles P-C4'-P energy: -66.320
tors. eta vs tors. theta energy: -114.400
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: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1481.494138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.494138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.494138 (E_RNA)
where:
Base-Base interactions energy: -1002.917
where: short stacking energy: -434.154
Base-Backbone interact. energy: -0.451
local terms energy: -478.126280
where:
bonds (distance) C4'-P energy: -82.389
bonds (distance) P-C4' energy: -96.687
flat angles C4'-P-C4' energy: -110.521
flat angles P-C4'-P energy: -75.437
tors. eta vs tors. theta energy: -113.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1423.790563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.790563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.790563 (E_RNA)
where:
Base-Base interactions energy: -983.751
where: short stacking energy: -418.031
Base-Backbone interact. energy: 1.836
local terms energy: -441.875435
where:
bonds (distance) C4'-P energy: -74.261
bonds (distance) P-C4' energy: -85.245
flat angles C4'-P-C4' energy: -107.878
flat angles P-C4'-P energy: -63.542
tors. eta vs tors. theta energy: -110.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1253.940177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.940177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.940177 (E_RNA)
where:
Base-Base interactions energy: -848.211
where: short stacking energy: -349.971
Base-Backbone interact. energy: -2.877
local terms energy: -402.852672
where:
bonds (distance) C4'-P energy: -93.537
bonds (distance) P-C4' energy: -78.569
flat angles C4'-P-C4' energy: -96.665
flat angles P-C4'-P energy: -59.010
tors. eta vs tors. theta energy: -75.071
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: 73
Temperature: 1.300000
Total energy: -1055.909514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.909514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.909514 (E_RNA)
where:
Base-Base interactions energy: -709.897
where: short stacking energy: -326.363
Base-Backbone interact. energy: 0.883
local terms energy: -346.895668
where:
bonds (distance) C4'-P energy: -53.829
bonds (distance) P-C4' energy: -96.407
flat angles C4'-P-C4' energy: -85.425
flat angles P-C4'-P energy: -48.036
tors. eta vs tors. theta energy: -63.199
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: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -625.133119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.133119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.133119 (E_RNA)
where:
Base-Base interactions energy: -341.671
where: short stacking energy: -171.991
Base-Backbone interact. energy: 2.562
local terms energy: -286.023779
where:
bonds (distance) C4'-P energy: -66.112
bonds (distance) P-C4' energy: -102.427
flat angles C4'-P-C4' energy: -79.229
flat angles P-C4'-P energy: -50.845
tors. eta vs tors. theta energy: 12.590
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: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1860.799818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.799818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.799818 (E_RNA)
where:
Base-Base interactions energy: -1282.616
where: short stacking energy: -533.339
Base-Backbone interact. energy: -2.100
local terms energy: -576.084033
where:
bonds (distance) C4'-P energy: -105.189
bonds (distance) P-C4' energy: -121.464
flat angles C4'-P-C4' energy: -128.335
flat angles P-C4'-P energy: -76.308
tors. eta vs tors. theta energy: -144.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1823.247370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.247370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.247370 (E_RNA)
where:
Base-Base interactions energy: -1230.979
where: short stacking energy: -530.120
Base-Backbone interact. energy: -2.090
local terms energy: -590.178808
where:
bonds (distance) C4'-P energy: -115.781
bonds (distance) P-C4' energy: -108.589
flat angles C4'-P-C4' energy: -126.666
flat angles P-C4'-P energy: -90.082
tors. eta vs tors. theta energy: -149.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1747.345359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.345359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.345359 (E_RNA)
where:
Base-Base interactions energy: -1204.223
where: short stacking energy: -508.671
Base-Backbone interact. energy: -4.632
local terms energy: -538.489757
where:
bonds (distance) C4'-P energy: -97.663
bonds (distance) P-C4' energy: -112.380
flat angles C4'-P-C4' energy: -119.922
flat angles P-C4'-P energy: -63.241
tors. eta vs tors. theta energy: -145.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1635.420917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.420917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.420917 (E_RNA)
where:
Base-Base interactions energy: -1101.316
where: short stacking energy: -470.107
Base-Backbone interact. energy: -4.454
local terms energy: -529.650506
where:
bonds (distance) C4'-P energy: -108.729
bonds (distance) P-C4' energy: -101.356
flat angles C4'-P-C4' energy: -113.681
flat angles P-C4'-P energy: -82.021
tors. eta vs tors. theta energy: -123.864
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: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1551.514250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.514250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.514250 (E_RNA)
where:
Base-Base interactions energy: -1036.031
where: short stacking energy: -436.226
Base-Backbone interact. energy: -0.792
local terms energy: -514.691272
where:
bonds (distance) C4'-P energy: -109.812
bonds (distance) P-C4' energy: -88.809
flat angles C4'-P-C4' energy: -119.492
flat angles P-C4'-P energy: -85.156
tors. eta vs tors. theta energy: -111.422
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: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1488.891244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.891244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.891244 (E_RNA)
where:
Base-Base interactions energy: -1015.767
where: short stacking energy: -432.610
Base-Backbone interact. energy: -2.525
local terms energy: -470.598941
where:
bonds (distance) C4'-P energy: -98.035
bonds (distance) P-C4' energy: -90.533
flat angles C4'-P-C4' energy: -93.108
flat angles P-C4'-P energy: -71.798
tors. eta vs tors. theta energy: -117.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1444.958171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.958171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.958171 (E_RNA)
where:
Base-Base interactions energy: -967.198
where: short stacking energy: -427.274
Base-Backbone interact. energy: 0.125
local terms energy: -477.885245
where:
bonds (distance) C4'-P energy: -88.051
bonds (distance) P-C4' energy: -103.350
flat angles C4'-P-C4' energy: -105.909
flat angles P-C4'-P energy: -65.556
tors. eta vs tors. theta energy: -115.019
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: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1279.729119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.729119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.729119 (E_RNA)
where:
Base-Base interactions energy: -862.187
where: short stacking energy: -362.816
Base-Backbone interact. energy: 0.777
local terms energy: -418.318631
where:
bonds (distance) C4'-P energy: -89.304
bonds (distance) P-C4' energy: -95.946
flat angles C4'-P-C4' energy: -93.347
flat angles P-C4'-P energy: -61.071
tors. eta vs tors. theta energy: -78.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1020.489879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.489879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.489879 (E_RNA)
where:
Base-Base interactions energy: -634.936
where: short stacking energy: -282.306
Base-Backbone interact. energy: 0.910
local terms energy: -386.463882
where:
bonds (distance) C4'-P energy: -83.395
bonds (distance) P-C4' energy: -107.666
flat angles C4'-P-C4' energy: -79.511
flat angles P-C4'-P energy: -70.476
tors. eta vs tors. theta energy: -45.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -691.946116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.946116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.946116 (E_RNA)
where:
Base-Base interactions energy: -373.299
where: short stacking energy: -205.905
Base-Backbone interact. energy: -0.050
local terms energy: -318.597964
where:
bonds (distance) C4'-P energy: -91.342
bonds (distance) P-C4' energy: -98.017
flat angles C4'-P-C4' energy: -80.567
flat angles P-C4'-P energy: -44.673
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1885.542234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.542234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.542234 (E_RNA)
where:
Base-Base interactions energy: -1319.176
where: short stacking energy: -558.738
Base-Backbone interact. energy: 1.734
local terms energy: -568.100583
where:
bonds (distance) C4'-P energy: -99.536
bonds (distance) P-C4' energy: -109.979
flat angles C4'-P-C4' energy: -126.234
flat angles P-C4'-P energy: -72.833
tors. eta vs tors. theta energy: -159.519
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: 75
Temperature: 0.950000
Total energy: -1811.103276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.103276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.103276 (E_RNA)
where:
Base-Base interactions energy: -1253.602
where: short stacking energy: -528.665
Base-Backbone interact. energy: -1.785
local terms energy: -555.716104
where:
bonds (distance) C4'-P energy: -107.020
bonds (distance) P-C4' energy: -111.838
flat angles C4'-P-C4' energy: -103.296
flat angles P-C4'-P energy: -80.252
tors. eta vs tors. theta energy: -153.311
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: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1738.397737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.397737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.397737 (E_RNA)
where:
Base-Base interactions energy: -1194.016
where: short stacking energy: -493.104
Base-Backbone interact. energy: -3.297
local terms energy: -541.085352
where:
bonds (distance) C4'-P energy: -111.848
bonds (distance) P-C4' energy: -92.372
flat angles C4'-P-C4' energy: -123.241
flat angles P-C4'-P energy: -63.631
tors. eta vs tors. theta energy: -149.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1651.293396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.293396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.293396 (E_RNA)
where:
Base-Base interactions energy: -1113.521
where: short stacking energy: -486.658
Base-Backbone interact. energy: 0.897
local terms energy: -538.669333
where:
bonds (distance) C4'-P energy: -98.414
bonds (distance) P-C4' energy: -102.062
flat angles C4'-P-C4' energy: -116.220
flat angles P-C4'-P energy: -78.326
tors. eta vs tors. theta energy: -143.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1611.512113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.512113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.512113 (E_RNA)
where:
Base-Base interactions energy: -1121.409
where: short stacking energy: -475.691
Base-Backbone interact. energy: 0.611
local terms energy: -490.714442
where:
bonds (distance) C4'-P energy: -77.881
bonds (distance) P-C4' energy: -98.335
flat angles C4'-P-C4' energy: -106.420
flat angles P-C4'-P energy: -77.965
tors. eta vs tors. theta energy: -130.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1475.086425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.086425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.086425 (E_RNA)
where:
Base-Base interactions energy: -978.563
where: short stacking energy: -438.148
Base-Backbone interact. energy: 2.572
local terms energy: -499.095778
where:
bonds (distance) C4'-P energy: -104.319
bonds (distance) P-C4' energy: -100.135
flat angles C4'-P-C4' energy: -104.890
flat angles P-C4'-P energy: -60.372
tors. eta vs tors. theta energy: -129.380
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: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1445.162599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.162599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.162599 (E_RNA)
where:
Base-Base interactions energy: -984.537
where: short stacking energy: -404.175
Base-Backbone interact. energy: -0.710
local terms energy: -459.915155
where:
bonds (distance) C4'-P energy: -92.435
bonds (distance) P-C4' energy: -89.004
flat angles C4'-P-C4' energy: -103.105
flat angles P-C4'-P energy: -60.319
tors. eta vs tors. theta energy: -115.051
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: 75
Temperature: 1.250000
Total energy: -1224.564598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.564598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.564598 (E_RNA)
where:
Base-Base interactions energy: -819.471
where: short stacking energy: -353.472
Base-Backbone interact. energy: 0.197
local terms energy: -405.290894
where:
bonds (distance) C4'-P energy: -88.660
bonds (distance) P-C4' energy: -96.583
flat angles C4'-P-C4' energy: -107.959
flat angles P-C4'-P energy: -39.007
tors. eta vs tors. theta energy: -73.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1037.905495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.905495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.905495 (E_RNA)
where:
Base-Base interactions energy: -666.783
where: short stacking energy: -322.732
Base-Backbone interact. energy: 0.680
local terms energy: -371.802563
where:
bonds (distance) C4'-P energy: -78.481
bonds (distance) P-C4' energy: -85.233
flat angles C4'-P-C4' energy: -94.266
flat angles P-C4'-P energy: -43.414
tors. eta vs tors. theta energy: -70.409
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: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -674.772444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.772444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.772444 (E_RNA)
where:
Base-Base interactions energy: -365.599
where: short stacking energy: -180.115
Base-Backbone interact. energy: 2.092
local terms energy: -311.265859
where:
bonds (distance) C4'-P energy: -81.071
bonds (distance) P-C4' energy: -75.096
flat angles C4'-P-C4' energy: -82.514
flat angles P-C4'-P energy: -68.463
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1876.093166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.093166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.093166 (E_RNA)
where:
Base-Base interactions energy: -1276.637
where: short stacking energy: -528.427
Base-Backbone interact. energy: -3.149
local terms energy: -596.307070
where:
bonds (distance) C4'-P energy: -98.925
bonds (distance) P-C4' energy: -124.916
flat angles C4'-P-C4' energy: -131.094
flat angles P-C4'-P energy: -81.203
tors. eta vs tors. theta energy: -160.169
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: 76
Temperature: 0.950000
Total energy: -1817.132738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.132738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.132738 (E_RNA)
where:
Base-Base interactions energy: -1238.872
where: short stacking energy: -511.180
Base-Backbone interact. energy: -4.652
local terms energy: -573.608765
where:
bonds (distance) C4'-P energy: -121.277
bonds (distance) P-C4' energy: -104.731
flat angles C4'-P-C4' energy: -107.076
flat angles P-C4'-P energy: -87.998
tors. eta vs tors. theta energy: -152.527
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: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1729.315161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.315161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.315161 (E_RNA)
where:
Base-Base interactions energy: -1172.636
where: short stacking energy: -502.404
Base-Backbone interact. energy: -3.011
local terms energy: -553.668414
where:
bonds (distance) C4'-P energy: -98.923
bonds (distance) P-C4' energy: -118.729
flat angles C4'-P-C4' energy: -115.544
flat angles P-C4'-P energy: -81.280
tors. eta vs tors. theta energy: -139.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1603.693012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.693012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.693012 (E_RNA)
where:
Base-Base interactions energy: -1104.419
where: short stacking energy: -452.643
Base-Backbone interact. energy: -5.491
local terms energy: -493.782499
where:
bonds (distance) C4'-P energy: -96.517
bonds (distance) P-C4' energy: -95.591
flat angles C4'-P-C4' energy: -113.189
flat angles P-C4'-P energy: -68.288
tors. eta vs tors. theta energy: -120.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1555.819905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.819905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.819905 (E_RNA)
where:
Base-Base interactions energy: -1093.433
where: short stacking energy: -439.944
Base-Backbone interact. energy: -3.106
local terms energy: -459.280615
where:
bonds (distance) C4'-P energy: -69.562
bonds (distance) P-C4' energy: -86.269
flat angles C4'-P-C4' energy: -116.154
flat angles P-C4'-P energy: -68.229
tors. eta vs tors. theta energy: -119.066
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: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1447.936965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.936965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.936965 (E_RNA)
where:
Base-Base interactions energy: -957.027
where: short stacking energy: -408.260
Base-Backbone interact. energy: -1.041
local terms energy: -489.868928
where:
bonds (distance) C4'-P energy: -105.742
bonds (distance) P-C4' energy: -102.770
flat angles C4'-P-C4' energy: -100.703
flat angles P-C4'-P energy: -62.309
tors. eta vs tors. theta energy: -118.344
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: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1419.126312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.126312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.126312 (E_RNA)
where:
Base-Base interactions energy: -966.534
where: short stacking energy: -407.469
Base-Backbone interact. energy: -2.057
local terms energy: -450.535073
where:
bonds (distance) C4'-P energy: -78.174
bonds (distance) P-C4' energy: -96.559
flat angles C4'-P-C4' energy: -102.404
flat angles P-C4'-P energy: -74.467
tors. eta vs tors. theta energy: -98.931
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: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1282.506780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.506780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.506780 (E_RNA)
where:
Base-Base interactions energy: -885.257
where: short stacking energy: -339.420
Base-Backbone interact. energy: 1.784
local terms energy: -399.033492
where:
bonds (distance) C4'-P energy: -94.869
bonds (distance) P-C4' energy: -83.279
flat angles C4'-P-C4' energy: -90.380
flat angles P-C4'-P energy: -54.835
tors. eta vs tors. theta energy: -75.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -982.045069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.045069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.045069 (E_RNA)
where:
Base-Base interactions energy: -606.744
where: short stacking energy: -266.432
Base-Backbone interact. energy: -1.170
local terms energy: -374.131469
where:
bonds (distance) C4'-P energy: -95.455
bonds (distance) P-C4' energy: -84.598
flat angles C4'-P-C4' energy: -87.264
flat angles P-C4'-P energy: -52.061
tors. eta vs tors. theta energy: -54.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -672.981581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.981581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.981581 (E_RNA)
where:
Base-Base interactions energy: -374.053
where: short stacking energy: -183.008
Base-Backbone interact. energy: 0.846
local terms energy: -299.774974
where:
bonds (distance) C4'-P energy: -89.815
bonds (distance) P-C4' energy: -82.965
flat angles C4'-P-C4' energy: -68.668
flat angles P-C4'-P energy: -52.111
tors. eta vs tors. theta energy: -6.215
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: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1858.137241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.137241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.137241 (E_RNA)
where:
Base-Base interactions energy: -1265.933
where: short stacking energy: -538.780
Base-Backbone interact. energy: -2.973
local terms energy: -589.231390
where:
bonds (distance) C4'-P energy: -106.706
bonds (distance) P-C4' energy: -115.094
flat angles C4'-P-C4' energy: -124.886
flat angles P-C4'-P energy: -85.648
tors. eta vs tors. theta energy: -156.899
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: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1791.246502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.246502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.246502 (E_RNA)
where:
Base-Base interactions energy: -1236.223
where: short stacking energy: -513.117
Base-Backbone interact. energy: 0.862
local terms energy: -555.885090
where:
bonds (distance) C4'-P energy: -107.515
bonds (distance) P-C4' energy: -97.672
flat angles C4'-P-C4' energy: -128.233
flat angles P-C4'-P energy: -78.851
tors. eta vs tors. theta energy: -143.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1739.144559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.144559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.144559 (E_RNA)
where:
Base-Base interactions energy: -1180.914
where: short stacking energy: -495.973
Base-Backbone interact. energy: -3.168
local terms energy: -555.061973
where:
bonds (distance) C4'-P energy: -106.244
bonds (distance) P-C4' energy: -106.496
flat angles C4'-P-C4' energy: -119.158
flat angles P-C4'-P energy: -76.620
tors. eta vs tors. theta energy: -146.544
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: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1614.327190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.327190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.327190 (E_RNA)
where:
Base-Base interactions energy: -1069.724
where: short stacking energy: -434.359
Base-Backbone interact. energy: -1.455
local terms energy: -543.147774
where:
bonds (distance) C4'-P energy: -115.338
bonds (distance) P-C4' energy: -104.950
flat angles C4'-P-C4' energy: -125.709
flat angles P-C4'-P energy: -78.348
tors. eta vs tors. theta energy: -118.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1573.846585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.846585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.846585 (E_RNA)
where:
Base-Base interactions energy: -1096.529
where: short stacking energy: -449.814
Base-Backbone interact. energy: 1.838
local terms energy: -479.155576
where:
bonds (distance) C4'-P energy: -105.031
bonds (distance) P-C4' energy: -106.208
flat angles C4'-P-C4' energy: -109.724
flat angles P-C4'-P energy: -50.744
tors. eta vs tors. theta energy: -107.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1471.439902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.439902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.439902 (E_RNA)
where:
Base-Base interactions energy: -1012.230
where: short stacking energy: -440.264
Base-Backbone interact. energy: 5.169
local terms energy: -464.379180
where:
bonds (distance) C4'-P energy: -78.876
bonds (distance) P-C4' energy: -110.443
flat angles C4'-P-C4' energy: -98.820
flat angles P-C4'-P energy: -67.180
tors. eta vs tors. theta energy: -109.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1420.595807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.595807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.595807 (E_RNA)
where:
Base-Base interactions energy: -941.700
where: short stacking energy: -394.908
Base-Backbone interact. energy: -0.815
local terms energy: -478.081200
where:
bonds (distance) C4'-P energy: -93.047
bonds (distance) P-C4' energy: -97.922
flat angles C4'-P-C4' energy: -102.598
flat angles P-C4'-P energy: -75.236
tors. eta vs tors. theta energy: -109.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1163.625012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.625012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.625012 (E_RNA)
where:
Base-Base interactions energy: -757.783
where: short stacking energy: -292.783
Base-Backbone interact. energy: -3.591
local terms energy: -402.251690
where:
bonds (distance) C4'-P energy: -81.142
bonds (distance) P-C4' energy: -98.776
flat angles C4'-P-C4' energy: -93.929
flat angles P-C4'-P energy: -63.029
tors. eta vs tors. theta energy: -65.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -982.007122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.007122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.007122 (E_RNA)
where:
Base-Base interactions energy: -587.405
where: short stacking energy: -261.183
Base-Backbone interact. energy: 1.644
local terms energy: -396.245293
where:
bonds (distance) C4'-P energy: -91.793
bonds (distance) P-C4' energy: -92.656
flat angles C4'-P-C4' energy: -98.844
flat angles P-C4'-P energy: -59.436
tors. eta vs tors. theta energy: -53.516
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: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -623.925100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.925100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.925100 (E_RNA)
where:
Base-Base interactions energy: -316.247
where: short stacking energy: -165.709
Base-Backbone interact. energy: -0.852
local terms energy: -306.825612
where:
bonds (distance) C4'-P energy: -61.830
bonds (distance) P-C4' energy: -90.578
flat angles C4'-P-C4' energy: -91.640
flat angles P-C4'-P energy: -53.702
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1876.637991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.637991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.637991 (E_RNA)
where:
Base-Base interactions energy: -1277.357
where: short stacking energy: -524.857
Base-Backbone interact. energy: -5.273
local terms energy: -594.008638
where:
bonds (distance) C4'-P energy: -113.869
bonds (distance) P-C4' energy: -123.647
flat angles C4'-P-C4' energy: -119.916
flat angles P-C4'-P energy: -78.577
tors. eta vs tors. theta energy: -158.000
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: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1774.406498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.406498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.406498 (E_RNA)
where:
Base-Base interactions energy: -1204.382
where: short stacking energy: -515.359
Base-Backbone interact. energy: -4.550
local terms energy: -565.474351
where:
bonds (distance) C4'-P energy: -103.214
bonds (distance) P-C4' energy: -98.286
flat angles C4'-P-C4' energy: -138.088
flat angles P-C4'-P energy: -80.040
tors. eta vs tors. theta energy: -145.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1743.294838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.294838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.294838 (E_RNA)
where:
Base-Base interactions energy: -1176.283
where: short stacking energy: -500.851
Base-Backbone interact. energy: -1.754
local terms energy: -565.258242
where:
bonds (distance) C4'-P energy: -111.520
bonds (distance) P-C4' energy: -98.593
flat angles C4'-P-C4' energy: -123.399
flat angles P-C4'-P energy: -87.531
tors. eta vs tors. theta energy: -144.214
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: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1614.806157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.806157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.806157 (E_RNA)
where:
Base-Base interactions energy: -1102.994
where: short stacking energy: -453.573
Base-Backbone interact. energy: 0.692
local terms energy: -512.505078
where:
bonds (distance) C4'-P energy: -97.612
bonds (distance) P-C4' energy: -98.748
flat angles C4'-P-C4' energy: -119.344
flat angles P-C4'-P energy: -69.151
tors. eta vs tors. theta energy: -127.650
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: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1549.759946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.759946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.759946 (E_RNA)
where:
Base-Base interactions energy: -1051.480
where: short stacking energy: -431.702
Base-Backbone interact. energy: -0.691
local terms energy: -497.588697
where:
bonds (distance) C4'-P energy: -101.114
bonds (distance) P-C4' energy: -100.096
flat angles C4'-P-C4' energy: -111.678
flat angles P-C4'-P energy: -65.660
tors. eta vs tors. theta energy: -119.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1505.314758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.314758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.314758 (E_RNA)
where:
Base-Base interactions energy: -1020.966
where: short stacking energy: -412.727
Base-Backbone interact. energy: 5.756
local terms energy: -490.103919
where:
bonds (distance) C4'-P energy: -95.022
bonds (distance) P-C4' energy: -87.642
flat angles C4'-P-C4' energy: -104.732
flat angles P-C4'-P energy: -86.024
tors. eta vs tors. theta energy: -116.684
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: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1390.186881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.186881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.186881 (E_RNA)
where:
Base-Base interactions energy: -947.329
where: short stacking energy: -398.296
Base-Backbone interact. energy: 5.340
local terms energy: -448.198560
where:
bonds (distance) C4'-P energy: -92.870
bonds (distance) P-C4' energy: -111.162
flat angles C4'-P-C4' energy: -94.893
flat angles P-C4'-P energy: -55.682
tors. eta vs tors. theta energy: -93.592
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: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1216.563435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.563435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.563435 (E_RNA)
where:
Base-Base interactions energy: -824.682
where: short stacking energy: -350.968
Base-Backbone interact. energy: 6.794
local terms energy: -398.675542
where:
bonds (distance) C4'-P energy: -73.793
bonds (distance) P-C4' energy: -87.719
flat angles C4'-P-C4' energy: -101.895
flat angles P-C4'-P energy: -59.204
tors. eta vs tors. theta energy: -76.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -944.050474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.050474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.050474 (E_RNA)
where:
Base-Base interactions energy: -585.196
where: short stacking energy: -240.570
Base-Backbone interact. energy: 2.552
local terms energy: -361.406616
where:
bonds (distance) C4'-P energy: -91.157
bonds (distance) P-C4' energy: -88.144
flat angles C4'-P-C4' energy: -77.344
flat angles P-C4'-P energy: -61.091
tors. eta vs tors. theta energy: -43.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -596.737831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.737831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.737831 (E_RNA)
where:
Base-Base interactions energy: -283.493
where: short stacking energy: -143.146
Base-Backbone interact. energy: -2.796
local terms energy: -310.449209
where:
bonds (distance) C4'-P energy: -87.943
bonds (distance) P-C4' energy: -100.165
flat angles C4'-P-C4' energy: -71.195
flat angles P-C4'-P energy: -60.250
tors. eta vs tors. theta energy: 9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1865.623491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.623491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.623491 (E_RNA)
where:
Base-Base interactions energy: -1305.591
where: short stacking energy: -551.820
Base-Backbone interact. energy: -2.516
local terms energy: -557.516236
where:
bonds (distance) C4'-P energy: -110.104
bonds (distance) P-C4' energy: -105.051
flat angles C4'-P-C4' energy: -115.679
flat angles P-C4'-P energy: -70.554
tors. eta vs tors. theta energy: -156.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1776.955500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.955500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.955500 (E_RNA)
where:
Base-Base interactions energy: -1217.099
where: short stacking energy: -513.461
Base-Backbone interact. energy: -3.821
local terms energy: -556.035839
where:
bonds (distance) C4'-P energy: -97.784
bonds (distance) P-C4' energy: -117.552
flat angles C4'-P-C4' energy: -116.728
flat angles P-C4'-P energy: -79.401
tors. eta vs tors. theta energy: -144.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1767.152374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.152374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.152374 (E_RNA)
where:
Base-Base interactions energy: -1233.116
where: short stacking energy: -519.299
Base-Backbone interact. energy: -1.991
local terms energy: -532.045744
where:
bonds (distance) C4'-P energy: -90.371
bonds (distance) P-C4' energy: -99.095
flat angles C4'-P-C4' energy: -117.342
flat angles P-C4'-P energy: -82.543
tors. eta vs tors. theta energy: -142.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1645.794520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.794520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.794520 (E_RNA)
where:
Base-Base interactions energy: -1110.621
where: short stacking energy: -474.841
Base-Backbone interact. energy: -0.963
local terms energy: -534.209887
where:
bonds (distance) C4'-P energy: -95.736
bonds (distance) P-C4' energy: -105.074
flat angles C4'-P-C4' energy: -114.046
flat angles P-C4'-P energy: -79.823
tors. eta vs tors. theta energy: -139.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1561.999377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.999377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.999377 (E_RNA)
where:
Base-Base interactions energy: -1079.087
where: short stacking energy: -469.905
Base-Backbone interact. energy: -1.127
local terms energy: -481.785108
where:
bonds (distance) C4'-P energy: -80.974
bonds (distance) P-C4' energy: -92.590
flat angles C4'-P-C4' energy: -115.750
flat angles P-C4'-P energy: -71.204
tors. eta vs tors. theta energy: -121.266
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: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1479.926769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.926769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.926769 (E_RNA)
where:
Base-Base interactions energy: -1009.166
where: short stacking energy: -435.174
Base-Backbone interact. energy: -3.812
local terms energy: -466.948622
where:
bonds (distance) C4'-P energy: -85.531
bonds (distance) P-C4' energy: -92.565
flat angles C4'-P-C4' energy: -106.644
flat angles P-C4'-P energy: -75.501
tors. eta vs tors. theta energy: -106.707
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: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1412.871858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.871858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.871858 (E_RNA)
where:
Base-Base interactions energy: -932.997
where: short stacking energy: -393.282
Base-Backbone interact. energy: -0.178
local terms energy: -479.697242
where:
bonds (distance) C4'-P energy: -97.822
bonds (distance) P-C4' energy: -107.422
flat angles C4'-P-C4' energy: -94.900
flat angles P-C4'-P energy: -76.067
tors. eta vs tors. theta energy: -103.486
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: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1196.128659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.128659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.128659 (E_RNA)
where:
Base-Base interactions energy: -806.635
where: short stacking energy: -347.097
Base-Backbone interact. energy: -1.060
local terms energy: -388.433962
where:
bonds (distance) C4'-P energy: -90.913
bonds (distance) P-C4' energy: -107.041
flat angles C4'-P-C4' energy: -69.130
flat angles P-C4'-P energy: -49.336
tors. eta vs tors. theta energy: -72.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1020.226077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.226077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.226077 (E_RNA)
where:
Base-Base interactions energy: -642.097
where: short stacking energy: -293.752
Base-Backbone interact. energy: 1.747
local terms energy: -379.875503
where:
bonds (distance) C4'-P energy: -93.450
bonds (distance) P-C4' energy: -87.460
flat angles C4'-P-C4' energy: -95.286
flat angles P-C4'-P energy: -47.559
tors. eta vs tors. theta energy: -56.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -615.445624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.445624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.445624 (E_RNA)
where:
Base-Base interactions energy: -317.975
where: short stacking energy: -179.923
Base-Backbone interact. energy: -1.689
local terms energy: -295.780991
where:
bonds (distance) C4'-P energy: -82.936
bonds (distance) P-C4' energy: -91.306
flat angles C4'-P-C4' energy: -70.306
flat angles P-C4'-P energy: -47.448
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1892.630882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.630882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.630882 (E_RNA)
where:
Base-Base interactions energy: -1300.794
where: short stacking energy: -546.735
Base-Backbone interact. energy: -2.934
local terms energy: -588.902734
where:
bonds (distance) C4'-P energy: -109.082
bonds (distance) P-C4' energy: -115.314
flat angles C4'-P-C4' energy: -127.059
flat angles P-C4'-P energy: -82.330
tors. eta vs tors. theta energy: -155.118
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: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1814.968547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.968547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.968547 (E_RNA)
where:
Base-Base interactions energy: -1255.193
where: short stacking energy: -525.993
Base-Backbone interact. energy: -2.538
local terms energy: -557.237633
where:
bonds (distance) C4'-P energy: -118.152
bonds (distance) P-C4' energy: -105.261
flat angles C4'-P-C4' energy: -118.721
flat angles P-C4'-P energy: -65.950
tors. eta vs tors. theta energy: -149.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1783.310902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.310902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.310902 (E_RNA)
where:
Base-Base interactions energy: -1234.343
where: short stacking energy: -529.231
Base-Backbone interact. energy: -4.116
local terms energy: -544.851618
where:
bonds (distance) C4'-P energy: -95.792
bonds (distance) P-C4' energy: -109.424
flat angles C4'-P-C4' energy: -109.045
flat angles P-C4'-P energy: -81.469
tors. eta vs tors. theta energy: -149.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1685.806388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.806388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.806388 (E_RNA)
where:
Base-Base interactions energy: -1156.053
where: short stacking energy: -481.953
Base-Backbone interact. energy: -1.486
local terms energy: -528.266933
where:
bonds (distance) C4'-P energy: -100.708
bonds (distance) P-C4' energy: -98.430
flat angles C4'-P-C4' energy: -112.134
flat angles P-C4'-P energy: -79.336
tors. eta vs tors. theta energy: -137.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1589.467015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.467015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.467015 (E_RNA)
where:
Base-Base interactions energy: -1077.758
where: short stacking energy: -476.135
Base-Backbone interact. energy: -1.235
local terms energy: -510.474414
where:
bonds (distance) C4'-P energy: -96.060
bonds (distance) P-C4' energy: -94.917
flat angles C4'-P-C4' energy: -117.187
flat angles P-C4'-P energy: -70.665
tors. eta vs tors. theta energy: -131.645
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: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1507.235337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.235337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.235337 (E_RNA)
where:
Base-Base interactions energy: -1012.155
where: short stacking energy: -404.069
Base-Backbone interact. energy: 1.506
local terms energy: -496.585541
where:
bonds (distance) C4'-P energy: -105.507
bonds (distance) P-C4' energy: -97.014
flat angles C4'-P-C4' energy: -106.910
flat angles P-C4'-P energy: -73.752
tors. eta vs tors. theta energy: -113.404
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: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1456.409823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.409823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.409823 (E_RNA)
where:
Base-Base interactions energy: -1004.992
where: short stacking energy: -415.004
Base-Backbone interact. energy: 1.204
local terms energy: -452.622233
where:
bonds (distance) C4'-P energy: -84.901
bonds (distance) P-C4' energy: -101.968
flat angles C4'-P-C4' energy: -96.799
flat angles P-C4'-P energy: -64.821
tors. eta vs tors. theta energy: -104.133
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: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1175.754793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.754793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.754793 (E_RNA)
where:
Base-Base interactions energy: -779.778
where: short stacking energy: -313.952
Base-Backbone interact. energy: -0.022
local terms energy: -395.954324
where:
bonds (distance) C4'-P energy: -93.191
bonds (distance) P-C4' energy: -87.254
flat angles C4'-P-C4' energy: -88.936
flat angles P-C4'-P energy: -59.362
tors. eta vs tors. theta energy: -67.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -997.907501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.907501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.907501 (E_RNA)
where:
Base-Base interactions energy: -616.769
where: short stacking energy: -282.950
Base-Backbone interact. energy: -3.660
local terms energy: -377.479343
where:
bonds (distance) C4'-P energy: -88.334
bonds (distance) P-C4' energy: -97.490
flat angles C4'-P-C4' energy: -84.345
flat angles P-C4'-P energy: -57.699
tors. eta vs tors. theta energy: -49.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -633.824409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.824409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.824409 (E_RNA)
where:
Base-Base interactions energy: -328.709
where: short stacking energy: -201.027
Base-Backbone interact. energy: -3.478
local terms energy: -301.637212
where:
bonds (distance) C4'-P energy: -76.961
bonds (distance) P-C4' energy: -105.752
flat angles C4'-P-C4' energy: -95.162
flat angles P-C4'-P energy: -32.918
tors. eta vs tors. theta energy: 9.156
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: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1884.436346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.436346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.436346 (E_RNA)
where:
Base-Base interactions energy: -1288.015
where: short stacking energy: -541.021
Base-Backbone interact. energy: -0.121
local terms energy: -596.300074
where:
bonds (distance) C4'-P energy: -117.611
bonds (distance) P-C4' energy: -110.441
flat angles C4'-P-C4' energy: -130.278
flat angles P-C4'-P energy: -79.267
tors. eta vs tors. theta energy: -158.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1801.500338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.500338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.500338 (E_RNA)
where:
Base-Base interactions energy: -1260.765
where: short stacking energy: -522.197
Base-Backbone interact. energy: -4.015
local terms energy: -536.720925
where:
bonds (distance) C4'-P energy: -100.669
bonds (distance) P-C4' energy: -106.626
flat angles C4'-P-C4' energy: -119.054
flat angles P-C4'-P energy: -61.396
tors. eta vs tors. theta energy: -148.976
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: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1791.294887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.294887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.294887 (E_RNA)
where:
Base-Base interactions energy: -1235.674
where: short stacking energy: -511.679
Base-Backbone interact. energy: -1.944
local terms energy: -553.676130
where:
bonds (distance) C4'-P energy: -114.483
bonds (distance) P-C4' energy: -93.698
flat angles C4'-P-C4' energy: -115.723
flat angles P-C4'-P energy: -76.935
tors. eta vs tors. theta energy: -152.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1673.986811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.986811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.986811 (E_RNA)
where:
Base-Base interactions energy: -1174.148
where: short stacking energy: -494.201
Base-Backbone interact. energy: 1.632
local terms energy: -501.471314
where:
bonds (distance) C4'-P energy: -79.716
bonds (distance) P-C4' energy: -102.481
flat angles C4'-P-C4' energy: -100.562
flat angles P-C4'-P energy: -68.873
tors. eta vs tors. theta energy: -149.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1567.969818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.969818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.969818 (E_RNA)
where:
Base-Base interactions energy: -1071.468
where: short stacking energy: -439.322
Base-Backbone interact. energy: -1.381
local terms energy: -495.121389
where:
bonds (distance) C4'-P energy: -97.344
bonds (distance) P-C4' energy: -95.951
flat angles C4'-P-C4' energy: -103.896
flat angles P-C4'-P energy: -78.960
tors. eta vs tors. theta energy: -118.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1499.941343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.941343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.941343 (E_RNA)
where:
Base-Base interactions energy: -1019.419
where: short stacking energy: -427.154
Base-Backbone interact. energy: -1.881
local terms energy: -478.641786
where:
bonds (distance) C4'-P energy: -88.516
bonds (distance) P-C4' energy: -92.922
flat angles C4'-P-C4' energy: -112.415
flat angles P-C4'-P energy: -66.250
tors. eta vs tors. theta energy: -118.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1439.462173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.462173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.462173 (E_RNA)
where:
Base-Base interactions energy: -978.173
where: short stacking energy: -416.275
Base-Backbone interact. energy: -0.037
local terms energy: -461.251420
where:
bonds (distance) C4'-P energy: -74.577
bonds (distance) P-C4' energy: -92.984
flat angles C4'-P-C4' energy: -118.985
flat angles P-C4'-P energy: -70.287
tors. eta vs tors. theta energy: -104.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1226.854258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.854258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.854258 (E_RNA)
where:
Base-Base interactions energy: -815.118
where: short stacking energy: -363.574
Base-Backbone interact. energy: -2.661
local terms energy: -409.075142
where:
bonds (distance) C4'-P energy: -71.737
bonds (distance) P-C4' energy: -98.603
flat angles C4'-P-C4' energy: -91.234
flat angles P-C4'-P energy: -62.011
tors. eta vs tors. theta energy: -85.491
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: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -986.204207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.204207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.204207 (E_RNA)
where:
Base-Base interactions energy: -612.398
where: short stacking energy: -268.216
Base-Backbone interact. energy: -4.264
local terms energy: -369.542394
where:
bonds (distance) C4'-P energy: -85.890
bonds (distance) P-C4' energy: -96.165
flat angles C4'-P-C4' energy: -92.879
flat angles P-C4'-P energy: -53.451
tors. eta vs tors. theta energy: -41.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -579.913455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.913455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.913455 (E_RNA)
where:
Base-Base interactions energy: -310.618
where: short stacking energy: -165.212
Base-Backbone interact. energy: 4.507
local terms energy: -273.802884
where:
bonds (distance) C4'-P energy: -68.117
bonds (distance) P-C4' energy: -90.172
flat angles C4'-P-C4' energy: -76.401
flat angles P-C4'-P energy: -53.086
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: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1925.700231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.700231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.700231 (E_RNA)
where:
Base-Base interactions energy: -1339.749
where: short stacking energy: -544.699
Base-Backbone interact. energy: -1.277
local terms energy: -584.674984
where:
bonds (distance) C4'-P energy: -107.410
bonds (distance) P-C4' energy: -109.397
flat angles C4'-P-C4' energy: -130.173
flat angles P-C4'-P energy: -78.212
tors. eta vs tors. theta energy: -159.483
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: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1789.846032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.846032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.846032 (E_RNA)
where:
Base-Base interactions energy: -1225.186
where: short stacking energy: -506.041
Base-Backbone interact. energy: -1.709
local terms energy: -562.951328
where:
bonds (distance) C4'-P energy: -93.008
bonds (distance) P-C4' energy: -97.941
flat angles C4'-P-C4' energy: -123.026
flat angles P-C4'-P energy: -95.754
tors. eta vs tors. theta energy: -153.223
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: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1764.917462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.917462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.917462 (E_RNA)
where:
Base-Base interactions energy: -1211.288
where: short stacking energy: -497.800
Base-Backbone interact. energy: -2.139
local terms energy: -551.490580
where:
bonds (distance) C4'-P energy: -102.962
bonds (distance) P-C4' energy: -121.297
flat angles C4'-P-C4' energy: -110.651
flat angles P-C4'-P energy: -68.699
tors. eta vs tors. theta energy: -147.882
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: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1672.112024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.112024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.112024 (E_RNA)
where:
Base-Base interactions energy: -1129.416
where: short stacking energy: -488.917
Base-Backbone interact. energy: -1.424
local terms energy: -541.272066
where:
bonds (distance) C4'-P energy: -99.051
bonds (distance) P-C4' energy: -107.872
flat angles C4'-P-C4' energy: -117.552
flat angles P-C4'-P energy: -69.719
tors. eta vs tors. theta energy: -147.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1540.493917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.493917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.493917 (E_RNA)
where:
Base-Base interactions energy: -1079.637
where: short stacking energy: -442.617
Base-Backbone interact. energy: 0.607
local terms energy: -461.464315
where:
bonds (distance) C4'-P energy: -88.805
bonds (distance) P-C4' energy: -92.203
flat angles C4'-P-C4' energy: -111.940
flat angles P-C4'-P energy: -61.508
tors. eta vs tors. theta energy: -107.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1533.273051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.273051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.273051 (E_RNA)
where:
Base-Base interactions energy: -1051.843
where: short stacking energy: -449.376
Base-Backbone interact. energy: -0.887
local terms energy: -480.543258
where:
bonds (distance) C4'-P energy: -74.289
bonds (distance) P-C4' energy: -99.824
flat angles C4'-P-C4' energy: -115.914
flat angles P-C4'-P energy: -65.679
tors. eta vs tors. theta energy: -124.837
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: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1473.375231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.375231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.375231 (E_RNA)
where:
Base-Base interactions energy: -1015.566
where: short stacking energy: -415.623
Base-Backbone interact. energy: -1.594
local terms energy: -456.215042
where:
bonds (distance) C4'-P energy: -100.099
bonds (distance) P-C4' energy: -95.737
flat angles C4'-P-C4' energy: -89.992
flat angles P-C4'-P energy: -67.620
tors. eta vs tors. theta energy: -102.768
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: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1222.628641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.628641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.628641 (E_RNA)
where:
Base-Base interactions energy: -801.607
where: short stacking energy: -335.448
Base-Backbone interact. energy: -3.046
local terms energy: -417.975586
where:
bonds (distance) C4'-P energy: -83.450
bonds (distance) P-C4' energy: -89.306
flat angles C4'-P-C4' energy: -99.684
flat angles P-C4'-P energy: -63.860
tors. eta vs tors. theta energy: -81.675
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: 82
Temperature: 1.300000
Total energy: -970.574603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.574603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.574603 (E_RNA)
where:
Base-Base interactions energy: -612.195
where: short stacking energy: -276.119
Base-Backbone interact. energy: 0.704
local terms energy: -359.083917
where:
bonds (distance) C4'-P energy: -80.593
bonds (distance) P-C4' energy: -81.244
flat angles C4'-P-C4' energy: -104.504
flat angles P-C4'-P energy: -51.449
tors. eta vs tors. theta energy: -41.294
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: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -623.451789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.451789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.451789 (E_RNA)
where:
Base-Base interactions energy: -315.443
where: short stacking energy: -164.553
Base-Backbone interact. energy: -3.274
local terms energy: -304.734438
where:
bonds (distance) C4'-P energy: -80.645
bonds (distance) P-C4' energy: -103.303
flat angles C4'-P-C4' energy: -79.241
flat angles P-C4'-P energy: -32.141
tors. eta vs tors. theta energy: -9.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1856.398078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.398078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.398078 (E_RNA)
where:
Base-Base interactions energy: -1279.300
where: short stacking energy: -536.055
Base-Backbone interact. energy: -5.714
local terms energy: -571.383358
where:
bonds (distance) C4'-P energy: -107.333
bonds (distance) P-C4' energy: -112.823
flat angles C4'-P-C4' energy: -111.120
flat angles P-C4'-P energy: -84.210
tors. eta vs tors. theta energy: -155.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1816.966729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.966729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.966729 (E_RNA)
where:
Base-Base interactions energy: -1230.245
where: short stacking energy: -529.612
Base-Backbone interact. energy: -2.905
local terms energy: -583.816572
where:
bonds (distance) C4'-P energy: -112.745
bonds (distance) P-C4' energy: -113.453
flat angles C4'-P-C4' energy: -123.417
flat angles P-C4'-P energy: -78.855
tors. eta vs tors. theta energy: -155.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1743.307895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.307895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.307895 (E_RNA)
where:
Base-Base interactions energy: -1192.111
where: short stacking energy: -515.830
Base-Backbone interact. energy: -3.251
local terms energy: -547.946176
where:
bonds (distance) C4'-P energy: -105.190
bonds (distance) P-C4' energy: -110.552
flat angles C4'-P-C4' energy: -118.607
flat angles P-C4'-P energy: -64.596
tors. eta vs tors. theta energy: -149.001
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: 83
Temperature: 1.050000
Total energy: -1639.486276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.486276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.486276 (E_RNA)
where:
Base-Base interactions energy: -1117.470
where: short stacking energy: -467.013
Base-Backbone interact. energy: -2.406
local terms energy: -519.610642
where:
bonds (distance) C4'-P energy: -93.708
bonds (distance) P-C4' energy: -115.614
flat angles C4'-P-C4' energy: -119.037
flat angles P-C4'-P energy: -66.957
tors. eta vs tors. theta energy: -124.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1565.702652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.702652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.702652 (E_RNA)
where:
Base-Base interactions energy: -1078.996
where: short stacking energy: -465.494
Base-Backbone interact. energy: -2.968
local terms energy: -483.738284
where:
bonds (distance) C4'-P energy: -97.540
bonds (distance) P-C4' energy: -83.426
flat angles C4'-P-C4' energy: -103.990
flat angles P-C4'-P energy: -76.221
tors. eta vs tors. theta energy: -122.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1518.820798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.820798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.820798 (E_RNA)
where:
Base-Base interactions energy: -1058.394
where: short stacking energy: -430.946
Base-Backbone interact. energy: -0.309
local terms energy: -460.117950
where:
bonds (distance) C4'-P energy: -78.646
bonds (distance) P-C4' energy: -90.205
flat angles C4'-P-C4' energy: -107.474
flat angles P-C4'-P energy: -73.345
tors. eta vs tors. theta energy: -110.448
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: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1470.283802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.283802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.283802 (E_RNA)
where:
Base-Base interactions energy: -977.078
where: short stacking energy: -416.746
Base-Backbone interact. energy: 1.360
local terms energy: -494.565187
where:
bonds (distance) C4'-P energy: -94.161
bonds (distance) P-C4' energy: -109.737
flat angles C4'-P-C4' energy: -103.192
flat angles P-C4'-P energy: -68.960
tors. eta vs tors. theta energy: -118.516
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: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1214.617011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.617011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.617011 (E_RNA)
where:
Base-Base interactions energy: -794.548
where: short stacking energy: -337.555
Base-Backbone interact. energy: -0.527
local terms energy: -419.542109
where:
bonds (distance) C4'-P energy: -98.549
bonds (distance) P-C4' energy: -82.651
flat angles C4'-P-C4' energy: -88.148
flat angles P-C4'-P energy: -59.956
tors. eta vs tors. theta energy: -90.238
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: 83
Temperature: 1.300000
Total energy: -950.204505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.204505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.204505 (E_RNA)
where:
Base-Base interactions energy: -588.903
where: short stacking energy: -279.506
Base-Backbone interact. energy: 1.674
local terms energy: -362.975207
where:
bonds (distance) C4'-P energy: -90.581
bonds (distance) P-C4' energy: -97.313
flat angles C4'-P-C4' energy: -84.960
flat angles P-C4'-P energy: -40.150
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: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -601.877263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.877263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.877263 (E_RNA)
where:
Base-Base interactions energy: -294.904
where: short stacking energy: -156.848
Base-Backbone interact. energy: -0.544
local terms energy: -306.429191
where:
bonds (distance) C4'-P energy: -91.167
bonds (distance) P-C4' energy: -82.589
flat angles C4'-P-C4' energy: -92.309
flat angles P-C4'-P energy: -50.083
tors. eta vs tors. theta energy: 9.719
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: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1882.941860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.941860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.941860 (E_RNA)
where:
Base-Base interactions energy: -1296.149
where: short stacking energy: -533.837
Base-Backbone interact. energy: -3.526
local terms energy: -583.266010
where:
bonds (distance) C4'-P energy: -113.444
bonds (distance) P-C4' energy: -107.078
flat angles C4'-P-C4' energy: -116.887
flat angles P-C4'-P energy: -88.375
tors. eta vs tors. theta energy: -157.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1768.034540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.034540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.034540 (E_RNA)
where:
Base-Base interactions energy: -1223.629
where: short stacking energy: -507.548
Base-Backbone interact. energy: -0.316
local terms energy: -544.089284
where:
bonds (distance) C4'-P energy: -111.356
bonds (distance) P-C4' energy: -103.013
flat angles C4'-P-C4' energy: -111.196
flat angles P-C4'-P energy: -81.881
tors. eta vs tors. theta energy: -136.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1754.675941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.675941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.675941 (E_RNA)
where:
Base-Base interactions energy: -1204.088
where: short stacking energy: -486.418
Base-Backbone interact. energy: 0.205
local terms energy: -550.793489
where:
bonds (distance) C4'-P energy: -107.670
bonds (distance) P-C4' energy: -112.172
flat angles C4'-P-C4' energy: -123.372
flat angles P-C4'-P energy: -63.127
tors. eta vs tors. theta energy: -144.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1682.194693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.194693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.194693 (E_RNA)
where:
Base-Base interactions energy: -1154.275
where: short stacking energy: -480.313
Base-Backbone interact. energy: -1.732
local terms energy: -526.187897
where:
bonds (distance) C4'-P energy: -105.528
bonds (distance) P-C4' energy: -104.808
flat angles C4'-P-C4' energy: -102.662
flat angles P-C4'-P energy: -76.865
tors. eta vs tors. theta energy: -136.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1513.018974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.018974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.018974 (E_RNA)
where:
Base-Base interactions energy: -1034.166
where: short stacking energy: -415.638
Base-Backbone interact. energy: -0.468
local terms energy: -478.385344
where:
bonds (distance) C4'-P energy: -88.694
bonds (distance) P-C4' energy: -108.104
flat angles C4'-P-C4' energy: -111.362
flat angles P-C4'-P energy: -58.977
tors. eta vs tors. theta energy: -111.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1486.067649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.067649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.067649 (E_RNA)
where:
Base-Base interactions energy: -1037.321
where: short stacking energy: -420.803
Base-Backbone interact. energy: 2.787
local terms energy: -451.533833
where:
bonds (distance) C4'-P energy: -78.552
bonds (distance) P-C4' energy: -92.133
flat angles C4'-P-C4' energy: -114.294
flat angles P-C4'-P energy: -64.085
tors. eta vs tors. theta energy: -102.471
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: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1429.255021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.255021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.255021 (E_RNA)
where:
Base-Base interactions energy: -987.782
where: short stacking energy: -415.039
Base-Backbone interact. energy: -2.006
local terms energy: -439.466763
where:
bonds (distance) C4'-P energy: -93.948
bonds (distance) P-C4' energy: -73.379
flat angles C4'-P-C4' energy: -101.820
flat angles P-C4'-P energy: -60.433
tors. eta vs tors. theta energy: -109.888
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: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1205.543150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.543150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.543150 (E_RNA)
where:
Base-Base interactions energy: -796.066
where: short stacking energy: -336.231
Base-Backbone interact. energy: -1.002
local terms energy: -408.475186
where:
bonds (distance) C4'-P energy: -81.090
bonds (distance) P-C4' energy: -92.322
flat angles C4'-P-C4' energy: -85.856
flat angles P-C4'-P energy: -57.488
tors. eta vs tors. theta energy: -91.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -934.685749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.685749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.685749 (E_RNA)
where:
Base-Base interactions energy: -578.356
where: short stacking energy: -267.280
Base-Backbone interact. energy: -1.826
local terms energy: -354.503467
where:
bonds (distance) C4'-P energy: -102.140
bonds (distance) P-C4' energy: -88.688
flat angles C4'-P-C4' energy: -77.338
flat angles P-C4'-P energy: -51.010
tors. eta vs tors. theta energy: -35.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -622.558449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.558449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.558449 (E_RNA)
where:
Base-Base interactions energy: -331.087
where: short stacking energy: -187.063
Base-Backbone interact. energy: -0.681
local terms energy: -290.790955
where:
bonds (distance) C4'-P energy: -71.530
bonds (distance) P-C4' energy: -95.227
flat angles C4'-P-C4' energy: -77.193
flat angles P-C4'-P energy: -46.857
tors. eta vs tors. theta energy: 0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1883.704601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.704601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.704601 (E_RNA)
where:
Base-Base interactions energy: -1308.016
where: short stacking energy: -534.055
Base-Backbone interact. energy: -4.517
local terms energy: -571.171882
where:
bonds (distance) C4'-P energy: -101.577
bonds (distance) P-C4' energy: -116.547
flat angles C4'-P-C4' energy: -125.025
flat angles P-C4'-P energy: -78.668
tors. eta vs tors. theta energy: -149.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1861.428841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.428841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.428841 (E_RNA)
where:
Base-Base interactions energy: -1294.454
where: short stacking energy: -533.551
Base-Backbone interact. energy: -1.539
local terms energy: -565.434981
where:
bonds (distance) C4'-P energy: -103.747
bonds (distance) P-C4' energy: -112.029
flat angles C4'-P-C4' energy: -116.521
flat angles P-C4'-P energy: -77.381
tors. eta vs tors. theta energy: -155.757
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: 85
Temperature: 1.000000
Total energy: -1715.875392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.875392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.875392 (E_RNA)
where:
Base-Base interactions energy: -1173.771
where: short stacking energy: -486.970
Base-Backbone interact. energy: -3.128
local terms energy: -538.976007
where:
bonds (distance) C4'-P energy: -108.289
bonds (distance) P-C4' energy: -110.749
flat angles C4'-P-C4' energy: -110.243
flat angles P-C4'-P energy: -74.030
tors. eta vs tors. theta energy: -135.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1657.148481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.148481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.148481 (E_RNA)
where:
Base-Base interactions energy: -1143.170
where: short stacking energy: -495.896
Base-Backbone interact. energy: -1.651
local terms energy: -512.327970
where:
bonds (distance) C4'-P energy: -105.897
bonds (distance) P-C4' energy: -95.925
flat angles C4'-P-C4' energy: -107.639
flat angles P-C4'-P energy: -65.793
tors. eta vs tors. theta energy: -137.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1564.219943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.219943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.219943 (E_RNA)
where:
Base-Base interactions energy: -1067.732
where: short stacking energy: -445.867
Base-Backbone interact. energy: 0.974
local terms energy: -497.461026
where:
bonds (distance) C4'-P energy: -101.424
bonds (distance) P-C4' energy: -94.886
flat angles C4'-P-C4' energy: -106.483
flat angles P-C4'-P energy: -71.288
tors. eta vs tors. theta energy: -123.380
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: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1525.670077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.670077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.670077 (E_RNA)
where:
Base-Base interactions energy: -1045.378
where: short stacking energy: -427.836
Base-Backbone interact. energy: 0.992
local terms energy: -481.283542
where:
bonds (distance) C4'-P energy: -94.589
bonds (distance) P-C4' energy: -116.092
flat angles C4'-P-C4' energy: -100.941
flat angles P-C4'-P energy: -62.679
tors. eta vs tors. theta energy: -106.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1381.795438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.795438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.795438 (E_RNA)
where:
Base-Base interactions energy: -928.417
where: short stacking energy: -386.593
Base-Backbone interact. energy: 1.843
local terms energy: -455.222098
where:
bonds (distance) C4'-P energy: -95.872
bonds (distance) P-C4' energy: -74.540
flat angles C4'-P-C4' energy: -107.118
flat angles P-C4'-P energy: -74.302
tors. eta vs tors. theta energy: -103.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1212.964367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.964367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.964367 (E_RNA)
where:
Base-Base interactions energy: -796.174
where: short stacking energy: -345.526
Base-Backbone interact. energy: -0.483
local terms energy: -416.306624
where:
bonds (distance) C4'-P energy: -100.317
bonds (distance) P-C4' energy: -98.483
flat angles C4'-P-C4' energy: -83.519
flat angles P-C4'-P energy: -57.303
tors. eta vs tors. theta energy: -76.684
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: 85
Temperature: 1.300000
Total energy: -937.450119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.450119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.450119 (E_RNA)
where:
Base-Base interactions energy: -560.126
where: short stacking energy: -254.616
Base-Backbone interact. energy: -0.317
local terms energy: -377.007026
where:
bonds (distance) C4'-P energy: -93.713
bonds (distance) P-C4' energy: -98.978
flat angles C4'-P-C4' energy: -74.894
flat angles P-C4'-P energy: -68.154
tors. eta vs tors. theta energy: -41.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -574.115371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.115371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.115371 (E_RNA)
where:
Base-Base interactions energy: -301.221
where: short stacking energy: -169.423
Base-Backbone interact. energy: 11.402
local terms energy: -284.295863
where:
bonds (distance) C4'-P energy: -92.437
bonds (distance) P-C4' energy: -92.500
flat angles C4'-P-C4' energy: -78.374
flat angles P-C4'-P energy: -29.955
tors. eta vs tors. theta energy: 8.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1884.582444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.582444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.582444 (E_RNA)
where:
Base-Base interactions energy: -1329.672
where: short stacking energy: -544.018
Base-Backbone interact. energy: -2.324
local terms energy: -552.586516
where:
bonds (distance) C4'-P energy: -96.849
bonds (distance) P-C4' energy: -111.107
flat angles C4'-P-C4' energy: -118.302
flat angles P-C4'-P energy: -77.037
tors. eta vs tors. theta energy: -149.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1857.455002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.455002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.455002 (E_RNA)
where:
Base-Base interactions energy: -1310.725
where: short stacking energy: -534.787
Base-Backbone interact. energy: -4.384
local terms energy: -542.345378
where:
bonds (distance) C4'-P energy: -95.740
bonds (distance) P-C4' energy: -108.017
flat angles C4'-P-C4' energy: -117.789
flat angles P-C4'-P energy: -77.969
tors. eta vs tors. theta energy: -142.831
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: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1747.567087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.567087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.567087 (E_RNA)
where:
Base-Base interactions energy: -1211.342
where: short stacking energy: -508.393
Base-Backbone interact. energy: -1.093
local terms energy: -535.131735
where:
bonds (distance) C4'-P energy: -112.038
bonds (distance) P-C4' energy: -92.570
flat angles C4'-P-C4' energy: -118.187
flat angles P-C4'-P energy: -67.331
tors. eta vs tors. theta energy: -145.006
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: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1656.474342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.474342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.474342 (E_RNA)
where:
Base-Base interactions energy: -1118.332
where: short stacking energy: -495.872
Base-Backbone interact. energy: -2.787
local terms energy: -535.355109
where:
bonds (distance) C4'-P energy: -93.562
bonds (distance) P-C4' energy: -106.800
flat angles C4'-P-C4' energy: -122.983
flat angles P-C4'-P energy: -68.102
tors. eta vs tors. theta energy: -143.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1545.893235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.893235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.893235 (E_RNA)
where:
Base-Base interactions energy: -1030.726
where: short stacking energy: -445.309
Base-Backbone interact. energy: -1.574
local terms energy: -513.593544
where:
bonds (distance) C4'-P energy: -92.336
bonds (distance) P-C4' energy: -103.322
flat angles C4'-P-C4' energy: -114.243
flat angles P-C4'-P energy: -81.986
tors. eta vs tors. theta energy: -121.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1462.769352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.769352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.769352 (E_RNA)
where:
Base-Base interactions energy: -970.993
where: short stacking energy: -414.059
Base-Backbone interact. energy: 2.368
local terms energy: -494.143892
where:
bonds (distance) C4'-P energy: -97.832
bonds (distance) P-C4' energy: -101.832
flat angles C4'-P-C4' energy: -101.156
flat angles P-C4'-P energy: -79.126
tors. eta vs tors. theta energy: -114.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1406.464264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.464264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.464264 (E_RNA)
where:
Base-Base interactions energy: -964.686
where: short stacking energy: -397.532
Base-Backbone interact. energy: 1.641
local terms energy: -443.418989
where:
bonds (distance) C4'-P energy: -87.415
bonds (distance) P-C4' energy: -99.933
flat angles C4'-P-C4' energy: -88.494
flat angles P-C4'-P energy: -68.986
tors. eta vs tors. theta energy: -98.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1234.169769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.169769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.169769 (E_RNA)
where:
Base-Base interactions energy: -825.691
where: short stacking energy: -352.404
Base-Backbone interact. energy: -0.825
local terms energy: -407.653712
where:
bonds (distance) C4'-P energy: -84.472
bonds (distance) P-C4' energy: -105.335
flat angles C4'-P-C4' energy: -80.393
flat angles P-C4'-P energy: -70.744
tors. eta vs tors. theta energy: -66.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -942.835844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.835844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.835844 (E_RNA)
where:
Base-Base interactions energy: -609.724
where: short stacking energy: -268.437
Base-Backbone interact. energy: -1.288
local terms energy: -331.823948
where:
bonds (distance) C4'-P energy: -82.458
bonds (distance) P-C4' energy: -87.350
flat angles C4'-P-C4' energy: -90.252
flat angles P-C4'-P energy: -39.643
tors. eta vs tors. theta energy: -32.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -577.345369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.345369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.345369 (E_RNA)
where:
Base-Base interactions energy: -292.315
where: short stacking energy: -169.567
Base-Backbone interact. energy: 2.131
local terms energy: -287.161594
where:
bonds (distance) C4'-P energy: -77.711
bonds (distance) P-C4' energy: -81.586
flat angles C4'-P-C4' energy: -82.030
flat angles P-C4'-P energy: -48.096
tors. eta vs tors. theta energy: 2.263
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: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1908.915354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.915354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.915354 (E_RNA)
where:
Base-Base interactions energy: -1313.659
where: short stacking energy: -545.868
Base-Backbone interact. energy: -3.104
local terms energy: -592.152020
where:
bonds (distance) C4'-P energy: -109.879
bonds (distance) P-C4' energy: -115.256
flat angles C4'-P-C4' energy: -118.027
flat angles P-C4'-P energy: -86.112
tors. eta vs tors. theta energy: -162.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1853.404415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.404415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.404415 (E_RNA)
where:
Base-Base interactions energy: -1275.567
where: short stacking energy: -527.615
Base-Backbone interact. energy: -5.084
local terms energy: -572.753042
where:
bonds (distance) C4'-P energy: -104.522
bonds (distance) P-C4' energy: -105.335
flat angles C4'-P-C4' energy: -128.403
flat angles P-C4'-P energy: -84.395
tors. eta vs tors. theta energy: -150.098
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: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1770.436422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.436422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.436422 (E_RNA)
where:
Base-Base interactions energy: -1219.766
where: short stacking energy: -525.651
Base-Backbone interact. energy: -0.476
local terms energy: -550.194552
where:
bonds (distance) C4'-P energy: -105.050
bonds (distance) P-C4' energy: -99.502
flat angles C4'-P-C4' energy: -114.135
flat angles P-C4'-P energy: -73.327
tors. eta vs tors. theta energy: -158.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1627.750098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.750098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.750098 (E_RNA)
where:
Base-Base interactions energy: -1117.292
where: short stacking energy: -466.373
Base-Backbone interact. energy: 1.163
local terms energy: -511.621478
where:
bonds (distance) C4'-P energy: -102.319
bonds (distance) P-C4' energy: -98.209
flat angles C4'-P-C4' energy: -107.953
flat angles P-C4'-P energy: -73.588
tors. eta vs tors. theta energy: -129.552
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1527.995909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.995909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.995909 (E_RNA)
where:
Base-Base interactions energy: -1060.996
where: short stacking energy: -439.145
Base-Backbone interact. energy: -2.622
local terms energy: -464.378122
where:
bonds (distance) C4'-P energy: -90.958
bonds (distance) P-C4' energy: -100.200
flat angles C4'-P-C4' energy: -109.229
flat angles P-C4'-P energy: -55.759
tors. eta vs tors. theta energy: -108.232
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: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1481.157805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.157805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.157805 (E_RNA)
where:
Base-Base interactions energy: -1005.449
where: short stacking energy: -417.466
Base-Backbone interact. energy: -1.145
local terms energy: -474.564713
where:
bonds (distance) C4'-P energy: -109.887
bonds (distance) P-C4' energy: -89.573
flat angles C4'-P-C4' energy: -105.751
flat angles P-C4'-P energy: -75.491
tors. eta vs tors. theta energy: -93.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1423.492132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.492132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.492132 (E_RNA)
where:
Base-Base interactions energy: -955.827
where: short stacking energy: -428.179
Base-Backbone interact. energy: 0.270
local terms energy: -467.934663
where:
bonds (distance) C4'-P energy: -95.210
bonds (distance) P-C4' energy: -104.081
flat angles C4'-P-C4' energy: -97.076
flat angles P-C4'-P energy: -60.473
tors. eta vs tors. theta energy: -111.095
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: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1273.020290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.020290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.020290 (E_RNA)
where:
Base-Base interactions energy: -853.515
where: short stacking energy: -384.612
Base-Backbone interact. energy: -0.800
local terms energy: -418.704945
where:
bonds (distance) C4'-P energy: -84.163
bonds (distance) P-C4' energy: -93.574
flat angles C4'-P-C4' energy: -99.239
flat angles P-C4'-P energy: -55.878
tors. eta vs tors. theta energy: -85.852
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: 87
Temperature: 1.300000
Total energy: -924.989991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.989991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.989991 (E_RNA)
where:
Base-Base interactions energy: -585.361
where: short stacking energy: -269.057
Base-Backbone interact. energy: 1.291
local terms energy: -340.919677
where:
bonds (distance) C4'-P energy: -77.320
bonds (distance) P-C4' energy: -87.293
flat angles C4'-P-C4' energy: -76.907
flat angles P-C4'-P energy: -51.170
tors. eta vs tors. theta energy: -48.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -554.622789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.622789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.622789 (E_RNA)
where:
Base-Base interactions energy: -271.787
where: short stacking energy: -136.302
Base-Backbone interact. energy: -0.777
local terms energy: -282.058655
where:
bonds (distance) C4'-P energy: -90.593
bonds (distance) P-C4' energy: -90.386
flat angles C4'-P-C4' energy: -75.974
flat angles P-C4'-P energy: -39.647
tors. eta vs tors. theta energy: 14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1914.637081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.637081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.637081 (E_RNA)
where:
Base-Base interactions energy: -1328.746
where: short stacking energy: -553.736
Base-Backbone interact. energy: -5.896
local terms energy: -579.994922
where:
bonds (distance) C4'-P energy: -115.554
bonds (distance) P-C4' energy: -118.004
flat angles C4'-P-C4' energy: -126.001
flat angles P-C4'-P energy: -61.964
tors. eta vs tors. theta energy: -158.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1843.623532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.623532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.623532 (E_RNA)
where:
Base-Base interactions energy: -1280.544
where: short stacking energy: -500.810
Base-Backbone interact. energy: -5.455
local terms energy: -557.623879
where:
bonds (distance) C4'-P energy: -113.370
bonds (distance) P-C4' energy: -105.680
flat angles C4'-P-C4' energy: -116.022
flat angles P-C4'-P energy: -75.739
tors. eta vs tors. theta energy: -146.813
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: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1771.915956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.915956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.915956 (E_RNA)
where:
Base-Base interactions energy: -1206.791
where: short stacking energy: -502.460
Base-Backbone interact. energy: -2.026
local terms energy: -563.099335
where:
bonds (distance) C4'-P energy: -105.247
bonds (distance) P-C4' energy: -90.922
flat angles C4'-P-C4' energy: -122.922
flat angles P-C4'-P energy: -85.391
tors. eta vs tors. theta energy: -158.618
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: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1638.727282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.727282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.727282 (E_RNA)
where:
Base-Base interactions energy: -1096.395
where: short stacking energy: -459.417
Base-Backbone interact. energy: -1.323
local terms energy: -541.008569
where:
bonds (distance) C4'-P energy: -105.923
bonds (distance) P-C4' energy: -97.138
flat angles C4'-P-C4' energy: -126.916
flat angles P-C4'-P energy: -72.976
tors. eta vs tors. theta energy: -138.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1551.332853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.332853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.332853 (E_RNA)
where:
Base-Base interactions energy: -1044.129
where: short stacking energy: -456.512
Base-Backbone interact. energy: -0.088
local terms energy: -507.115714
where:
bonds (distance) C4'-P energy: -91.547
bonds (distance) P-C4' energy: -103.922
flat angles C4'-P-C4' energy: -115.911
flat angles P-C4'-P energy: -75.657
tors. eta vs tors. theta energy: -120.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1461.049923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.049923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.049923 (E_RNA)
where:
Base-Base interactions energy: -970.893
where: short stacking energy: -422.081
Base-Backbone interact. energy: 0.758
local terms energy: -490.914573
where:
bonds (distance) C4'-P energy: -106.517
bonds (distance) P-C4' energy: -91.035
flat angles C4'-P-C4' energy: -105.973
flat angles P-C4'-P energy: -66.053
tors. eta vs tors. theta energy: -121.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1385.428245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.428245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.428245 (E_RNA)
where:
Base-Base interactions energy: -959.044
where: short stacking energy: -399.619
Base-Backbone interact. energy: 5.284
local terms energy: -431.668845
where:
bonds (distance) C4'-P energy: -90.912
bonds (distance) P-C4' energy: -82.692
flat angles C4'-P-C4' energy: -92.369
flat angles P-C4'-P energy: -70.666
tors. eta vs tors. theta energy: -95.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1257.294079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.294079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.294079 (E_RNA)
where:
Base-Base interactions energy: -821.542
where: short stacking energy: -367.554
Base-Backbone interact. energy: -1.943
local terms energy: -433.808914
where:
bonds (distance) C4'-P energy: -102.979
bonds (distance) P-C4' energy: -99.144
flat angles C4'-P-C4' energy: -105.074
flat angles P-C4'-P energy: -43.192
tors. eta vs tors. theta energy: -83.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -917.835735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.835735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.835735 (E_RNA)
where:
Base-Base interactions energy: -557.291
where: short stacking energy: -251.654
Base-Backbone interact. energy: 0.458
local terms energy: -361.002504
where:
bonds (distance) C4'-P energy: -89.758
bonds (distance) P-C4' energy: -92.704
flat angles C4'-P-C4' energy: -86.300
flat angles P-C4'-P energy: -71.683
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -612.292357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.292357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.292357 (E_RNA)
where:
Base-Base interactions energy: -320.390
where: short stacking energy: -177.775
Base-Backbone interact. energy: 4.851
local terms energy: -296.753213
where:
bonds (distance) C4'-P energy: -78.543
bonds (distance) P-C4' energy: -85.143
flat angles C4'-P-C4' energy: -79.790
flat angles P-C4'-P energy: -45.672
tors. eta vs tors. theta energy: -7.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1914.434443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.434443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.434443 (E_RNA)
where:
Base-Base interactions energy: -1339.796
where: short stacking energy: -568.432
Base-Backbone interact. energy: -3.020
local terms energy: -571.618948
where:
bonds (distance) C4'-P energy: -101.596
bonds (distance) P-C4' energy: -109.540
flat angles C4'-P-C4' energy: -119.250
flat angles P-C4'-P energy: -76.990
tors. eta vs tors. theta energy: -164.244
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: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1789.580151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.580151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.580151 (E_RNA)
where:
Base-Base interactions energy: -1238.915
where: short stacking energy: -495.479
Base-Backbone interact. energy: -2.431
local terms energy: -548.234057
where:
bonds (distance) C4'-P energy: -104.712
bonds (distance) P-C4' energy: -106.313
flat angles C4'-P-C4' energy: -114.070
flat angles P-C4'-P energy: -79.008
tors. eta vs tors. theta energy: -144.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1721.441756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.441756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.441756 (E_RNA)
where:
Base-Base interactions energy: -1186.549
where: short stacking energy: -478.021
Base-Backbone interact. energy: -3.271
local terms energy: -531.622425
where:
bonds (distance) C4'-P energy: -94.760
bonds (distance) P-C4' energy: -101.269
flat angles C4'-P-C4' energy: -114.531
flat angles P-C4'-P energy: -83.143
tors. eta vs tors. theta energy: -137.919
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: 7
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1622.654701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.654701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.654701 (E_RNA)
where:
Base-Base interactions energy: -1098.137
where: short stacking energy: -478.365
Base-Backbone interact. energy: -3.971
local terms energy: -520.546772
where:
bonds (distance) C4'-P energy: -110.163
bonds (distance) P-C4' energy: -99.499
flat angles C4'-P-C4' energy: -103.332
flat angles P-C4'-P energy: -78.766
tors. eta vs tors. theta energy: -128.787
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: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1593.876655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.876655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.876655 (E_RNA)
where:
Base-Base interactions energy: -1091.005
where: short stacking energy: -462.668
Base-Backbone interact. energy: -0.963
local terms energy: -501.909003
where:
bonds (distance) C4'-P energy: -108.454
bonds (distance) P-C4' energy: -105.288
flat angles C4'-P-C4' energy: -105.001
flat angles P-C4'-P energy: -51.648
tors. eta vs tors. theta energy: -131.517
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: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1441.869041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.869041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.869041 (E_RNA)
where:
Base-Base interactions energy: -958.498
where: short stacking energy: -403.252
Base-Backbone interact. energy: -1.526
local terms energy: -481.845802
where:
bonds (distance) C4'-P energy: -93.576
bonds (distance) P-C4' energy: -112.067
flat angles C4'-P-C4' energy: -105.841
flat angles P-C4'-P energy: -65.006
tors. eta vs tors. theta energy: -105.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1401.410719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.410719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.410719 (E_RNA)
where:
Base-Base interactions energy: -982.126
where: short stacking energy: -409.107
Base-Backbone interact. energy: -3.835
local terms energy: -415.449860
where:
bonds (distance) C4'-P energy: -82.877
bonds (distance) P-C4' energy: -80.202
flat angles C4'-P-C4' energy: -87.776
flat angles P-C4'-P energy: -57.540
tors. eta vs tors. theta energy: -107.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1217.567546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.567546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.567546 (E_RNA)
where:
Base-Base interactions energy: -778.152
where: short stacking energy: -302.192
Base-Backbone interact. energy: 4.388
local terms energy: -443.803203
where:
bonds (distance) C4'-P energy: -99.934
bonds (distance) P-C4' energy: -100.699
flat angles C4'-P-C4' energy: -92.483
flat angles P-C4'-P energy: -75.315
tors. eta vs tors. theta energy: -75.372
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: 89
Temperature: 1.300000
Total energy: -887.256969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.256969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.256969 (E_RNA)
where:
Base-Base interactions energy: -527.885
where: short stacking energy: -238.907
Base-Backbone interact. energy: -0.311
local terms energy: -359.060805
where:
bonds (distance) C4'-P energy: -79.674
bonds (distance) P-C4' energy: -74.942
flat angles C4'-P-C4' energy: -85.754
flat angles P-C4'-P energy: -72.715
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -592.652845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.652845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.652845 (E_RNA)
where:
Base-Base interactions energy: -299.516
where: short stacking energy: -176.872
Base-Backbone interact. energy: 0.166
local terms energy: -293.302423
where:
bonds (distance) C4'-P energy: -65.742
bonds (distance) P-C4' energy: -97.986
flat angles C4'-P-C4' energy: -72.925
flat angles P-C4'-P energy: -46.218
tors. eta vs tors. theta energy: -10.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1899.393495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.393495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.393495 (E_RNA)
where:
Base-Base interactions energy: -1310.933
where: short stacking energy: -545.059
Base-Backbone interact. energy: -5.310
local terms energy: -583.150705
where:
bonds (distance) C4'-P energy: -101.606
bonds (distance) P-C4' energy: -107.029
flat angles C4'-P-C4' energy: -124.687
flat angles P-C4'-P energy: -92.415
tors. eta vs tors. theta energy: -157.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1799.273438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.273438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.273438 (E_RNA)
where:
Base-Base interactions energy: -1221.497
where: short stacking energy: -500.838
Base-Backbone interact. energy: -3.580
local terms energy: -574.195674
where:
bonds (distance) C4'-P energy: -112.279
bonds (distance) P-C4' energy: -115.333
flat angles C4'-P-C4' energy: -126.387
flat angles P-C4'-P energy: -74.578
tors. eta vs tors. theta energy: -145.618
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: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1732.456023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.456023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.456023 (E_RNA)
where:
Base-Base interactions energy: -1204.550
where: short stacking energy: -517.832
Base-Backbone interact. energy: 1.089
local terms energy: -528.995501
where:
bonds (distance) C4'-P energy: -94.943
bonds (distance) P-C4' energy: -110.421
flat angles C4'-P-C4' energy: -121.890
flat angles P-C4'-P energy: -59.718
tors. eta vs tors. theta energy: -142.024
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: 4, replica: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1625.701379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.701379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.701379 (E_RNA)
where:
Base-Base interactions energy: -1078.354
where: short stacking energy: -474.310
Base-Backbone interact. energy: -1.411
local terms energy: -545.936020
where:
bonds (distance) C4'-P energy: -105.597
bonds (distance) P-C4' energy: -115.264
flat angles C4'-P-C4' energy: -104.665
flat angles P-C4'-P energy: -75.160
tors. eta vs tors. theta energy: -145.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1591.455830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.455830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.455830 (E_RNA)
where:
Base-Base interactions energy: -1086.878
where: short stacking energy: -458.645
Base-Backbone interact. energy: -1.873
local terms energy: -502.703989
where:
bonds (distance) C4'-P energy: -93.729
bonds (distance) P-C4' energy: -106.319
flat angles C4'-P-C4' energy: -103.607
flat angles P-C4'-P energy: -63.651
tors. eta vs tors. theta energy: -135.398
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: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1472.096176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.096176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.096176 (E_RNA)
where:
Base-Base interactions energy: -981.119
where: short stacking energy: -411.368
Base-Backbone interact. energy: -1.161
local terms energy: -489.816869
where:
bonds (distance) C4'-P energy: -99.082
bonds (distance) P-C4' energy: -102.035
flat angles C4'-P-C4' energy: -112.148
flat angles P-C4'-P energy: -69.737
tors. eta vs tors. theta energy: -106.815
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: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1389.991262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.991262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.991262 (E_RNA)
where:
Base-Base interactions energy: -935.414
where: short stacking energy: -414.688
Base-Backbone interact. energy: -1.340
local terms energy: -453.236724
where:
bonds (distance) C4'-P energy: -90.548
bonds (distance) P-C4' energy: -104.817
flat angles C4'-P-C4' energy: -100.266
flat angles P-C4'-P energy: -50.634
tors. eta vs tors. theta energy: -106.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1209.035380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.035380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.035380 (E_RNA)
where:
Base-Base interactions energy: -802.200
where: short stacking energy: -350.767
Base-Backbone interact. energy: 3.833
local terms energy: -410.668810
where:
bonds (distance) C4'-P energy: -90.486
bonds (distance) P-C4' energy: -91.942
flat angles C4'-P-C4' energy: -99.970
flat angles P-C4'-P energy: -49.722
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: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -889.426874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.426874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.426874 (E_RNA)
where:
Base-Base interactions energy: -551.574
where: short stacking energy: -235.530
Base-Backbone interact. energy: -1.728
local terms energy: -336.124505
where:
bonds (distance) C4'-P energy: -82.351
bonds (distance) P-C4' energy: -91.891
flat angles C4'-P-C4' energy: -78.605
flat angles P-C4'-P energy: -55.278
tors. eta vs tors. theta energy: -28.000
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: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -647.823725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.823725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.823725 (E_RNA)
where:
Base-Base interactions energy: -336.786
where: short stacking energy: -177.489
Base-Backbone interact. energy: 0.516
local terms energy: -311.553253
where:
bonds (distance) C4'-P energy: -81.988
bonds (distance) P-C4' energy: -82.859
flat angles C4'-P-C4' energy: -81.186
flat angles P-C4'-P energy: -56.305
tors. eta vs tors. theta energy: -9.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1885.583599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.583599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.583599 (E_RNA)
where:
Base-Base interactions energy: -1281.697
where: short stacking energy: -537.851
Base-Backbone interact. energy: -3.136
local terms energy: -600.750918
where:
bonds (distance) C4'-P energy: -108.754
bonds (distance) P-C4' energy: -117.715
flat angles C4'-P-C4' energy: -124.274
flat angles P-C4'-P energy: -86.952
tors. eta vs tors. theta energy: -163.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1773.707499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.707499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.707499 (E_RNA)
where:
Base-Base interactions energy: -1229.747
where: short stacking energy: -503.573
Base-Backbone interact. energy: -4.428
local terms energy: -539.533137
where:
bonds (distance) C4'-P energy: -101.724
bonds (distance) P-C4' energy: -107.488
flat angles C4'-P-C4' energy: -118.170
flat angles P-C4'-P energy: -74.595
tors. eta vs tors. theta energy: -137.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1733.531536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.531536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.531536 (E_RNA)
where:
Base-Base interactions energy: -1162.419
where: short stacking energy: -502.402
Base-Backbone interact. energy: 0.148
local terms energy: -571.260342
where:
bonds (distance) C4'-P energy: -101.790
bonds (distance) P-C4' energy: -108.317
flat angles C4'-P-C4' energy: -122.505
flat angles P-C4'-P energy: -87.601
tors. eta vs tors. theta energy: -151.048
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: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1646.766787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.766787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.766787 (E_RNA)
where:
Base-Base interactions energy: -1126.746
where: short stacking energy: -505.377
Base-Backbone interact. energy: -0.741
local terms energy: -519.279962
where:
bonds (distance) C4'-P energy: -90.676
bonds (distance) P-C4' energy: -86.876
flat angles C4'-P-C4' energy: -124.088
flat angles P-C4'-P energy: -70.229
tors. eta vs tors. theta energy: -147.411
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: 91
Temperature: 1.100000
Total energy: -1580.047919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.047919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.047919 (E_RNA)
where:
Base-Base interactions energy: -1077.598
where: short stacking energy: -482.328
Base-Backbone interact. energy: -2.550
local terms energy: -499.900311
where:
bonds (distance) C4'-P energy: -98.637
bonds (distance) P-C4' energy: -99.827
flat angles C4'-P-C4' energy: -106.696
flat angles P-C4'-P energy: -66.325
tors. eta vs tors. theta energy: -128.415
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: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1490.488770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.488770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.488770 (E_RNA)
where:
Base-Base interactions energy: -1008.593
where: short stacking energy: -417.382
Base-Backbone interact. energy: 3.024
local terms energy: -484.919722
where:
bonds (distance) C4'-P energy: -85.768
bonds (distance) P-C4' energy: -103.499
flat angles C4'-P-C4' energy: -110.282
flat angles P-C4'-P energy: -83.185
tors. eta vs tors. theta energy: -102.185
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: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1399.096946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.096946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.096946 (E_RNA)
where:
Base-Base interactions energy: -932.681
where: short stacking energy: -390.677
Base-Backbone interact. energy: -0.632
local terms energy: -465.784110
where:
bonds (distance) C4'-P energy: -97.542
bonds (distance) P-C4' energy: -87.814
flat angles C4'-P-C4' energy: -94.940
flat angles P-C4'-P energy: -75.190
tors. eta vs tors. theta energy: -110.298
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: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1240.814095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.814095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.814095 (E_RNA)
where:
Base-Base interactions energy: -819.953
where: short stacking energy: -355.735
Base-Backbone interact. energy: -0.779
local terms energy: -420.082269
where:
bonds (distance) C4'-P energy: -89.649
bonds (distance) P-C4' energy: -94.523
flat angles C4'-P-C4' energy: -105.159
flat angles P-C4'-P energy: -58.126
tors. eta vs tors. theta energy: -72.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -920.776112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.776112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.776112 (E_RNA)
where:
Base-Base interactions energy: -566.686
where: short stacking energy: -257.260
Base-Backbone interact. energy: -2.483
local terms energy: -351.607833
where:
bonds (distance) C4'-P energy: -77.543
bonds (distance) P-C4' energy: -100.665
flat angles C4'-P-C4' energy: -89.153
flat angles P-C4'-P energy: -50.143
tors. eta vs tors. theta energy: -34.104
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: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -576.297785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.297785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.297785 (E_RNA)
where:
Base-Base interactions energy: -274.837
where: short stacking energy: -163.070
Base-Backbone interact. energy: 1.978
local terms energy: -303.438722
where:
bonds (distance) C4'-P energy: -82.087
bonds (distance) P-C4' energy: -105.386
flat angles C4'-P-C4' energy: -75.650
flat angles P-C4'-P energy: -46.036
tors. eta vs tors. theta energy: 5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1864.872846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.872846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.872846 (E_RNA)
where:
Base-Base interactions energy: -1294.395
where: short stacking energy: -531.937
Base-Backbone interact. energy: -3.878
local terms energy: -566.600138
where:
bonds (distance) C4'-P energy: -103.396
bonds (distance) P-C4' energy: -99.505
flat angles C4'-P-C4' energy: -128.219
flat angles P-C4'-P energy: -78.236
tors. eta vs tors. theta energy: -157.245
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: 92
Temperature: 0.950000
Total energy: -1752.190175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.190175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.190175 (E_RNA)
where:
Base-Base interactions energy: -1203.967
where: short stacking energy: -502.522
Base-Backbone interact. energy: 2.759
local terms energy: -550.981978
where:
bonds (distance) C4'-P energy: -104.934
bonds (distance) P-C4' energy: -114.832
flat angles C4'-P-C4' energy: -111.095
flat angles P-C4'-P energy: -75.113
tors. eta vs tors. theta energy: -145.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1697.423607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.423607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.423607 (E_RNA)
where:
Base-Base interactions energy: -1162.946
where: short stacking energy: -458.509
Base-Backbone interact. energy: -2.032
local terms energy: -532.445671
where:
bonds (distance) C4'-P energy: -102.201
bonds (distance) P-C4' energy: -113.033
flat angles C4'-P-C4' energy: -109.563
flat angles P-C4'-P energy: -74.678
tors. eta vs tors. theta energy: -132.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1630.382496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.382496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.382496 (E_RNA)
where:
Base-Base interactions energy: -1098.404
where: short stacking energy: -491.771
Base-Backbone interact. energy: -2.150
local terms energy: -529.828748
where:
bonds (distance) C4'-P energy: -106.672
bonds (distance) P-C4' energy: -100.749
flat angles C4'-P-C4' energy: -112.614
flat angles P-C4'-P energy: -70.794
tors. eta vs tors. theta energy: -138.999
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: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1626.670643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.670643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.670643 (E_RNA)
where:
Base-Base interactions energy: -1131.128
where: short stacking energy: -474.324
Base-Backbone interact. energy: 5.941
local terms energy: -501.483699
where:
bonds (distance) C4'-P energy: -100.623
bonds (distance) P-C4' energy: -87.497
flat angles C4'-P-C4' energy: -121.895
flat angles P-C4'-P energy: -55.079
tors. eta vs tors. theta energy: -136.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1466.514102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.514102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.514102 (E_RNA)
where:
Base-Base interactions energy: -1007.723
where: short stacking energy: -432.513
Base-Backbone interact. energy: 0.447
local terms energy: -459.237484
where:
bonds (distance) C4'-P energy: -101.157
bonds (distance) P-C4' energy: -104.720
flat angles C4'-P-C4' energy: -90.496
flat angles P-C4'-P energy: -53.733
tors. eta vs tors. theta energy: -109.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1330.460306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.460306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.460306 (E_RNA)
where:
Base-Base interactions energy: -881.516
where: short stacking energy: -381.139
Base-Backbone interact. energy: -0.434
local terms energy: -448.509478
where:
bonds (distance) C4'-P energy: -98.855
bonds (distance) P-C4' energy: -87.421
flat angles C4'-P-C4' energy: -102.102
flat angles P-C4'-P energy: -67.140
tors. eta vs tors. theta energy: -92.992
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: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1169.780113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.780113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.780113 (E_RNA)
where:
Base-Base interactions energy: -762.327
where: short stacking energy: -342.737
Base-Backbone interact. energy: -0.033
local terms energy: -407.420301
where:
bonds (distance) C4'-P energy: -81.415
bonds (distance) P-C4' energy: -82.515
flat angles C4'-P-C4' energy: -109.675
flat angles P-C4'-P energy: -61.316
tors. eta vs tors. theta energy: -72.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -929.569384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.569384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.569384 (E_RNA)
where:
Base-Base interactions energy: -578.170
where: short stacking energy: -248.972
Base-Backbone interact. energy: -1.092
local terms energy: -350.307344
where:
bonds (distance) C4'-P energy: -87.051
bonds (distance) P-C4' energy: -79.851
flat angles C4'-P-C4' energy: -80.720
flat angles P-C4'-P energy: -63.601
tors. eta vs tors. theta energy: -39.084
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: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -626.722682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.722682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.722682 (E_RNA)
where:
Base-Base interactions energy: -341.223
where: short stacking energy: -191.192
Base-Backbone interact. energy: 1.562
local terms energy: -287.062371
where:
bonds (distance) C4'-P energy: -72.338
bonds (distance) P-C4' energy: -92.058
flat angles C4'-P-C4' energy: -62.461
flat angles P-C4'-P energy: -54.680
tors. eta vs tors. theta energy: -5.526
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: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1892.445677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.445677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.445677 (E_RNA)
where:
Base-Base interactions energy: -1313.998
where: short stacking energy: -541.933
Base-Backbone interact. energy: -2.828
local terms energy: -575.619690
where:
bonds (distance) C4'-P energy: -115.832
bonds (distance) P-C4' energy: -95.394
flat angles C4'-P-C4' energy: -121.017
flat angles P-C4'-P energy: -81.599
tors. eta vs tors. theta energy: -161.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1781.989122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.989122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.989122 (E_RNA)
where:
Base-Base interactions energy: -1232.840
where: short stacking energy: -495.256
Base-Backbone interact. energy: -3.447
local terms energy: -545.701945
where:
bonds (distance) C4'-P energy: -99.471
bonds (distance) P-C4' energy: -108.753
flat angles C4'-P-C4' energy: -120.634
flat angles P-C4'-P energy: -70.448
tors. eta vs tors. theta energy: -146.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1693.971270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.971270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.971270 (E_RNA)
where:
Base-Base interactions energy: -1172.791
where: short stacking energy: -488.669
Base-Backbone interact. energy: -2.438
local terms energy: -518.741482
where:
bonds (distance) C4'-P energy: -102.459
bonds (distance) P-C4' energy: -96.375
flat angles C4'-P-C4' energy: -120.941
flat angles P-C4'-P energy: -69.574
tors. eta vs tors. theta energy: -129.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1639.262270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.262270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.262270 (E_RNA)
where:
Base-Base interactions energy: -1118.762
where: short stacking energy: -479.011
Base-Backbone interact. energy: -3.133
local terms energy: -517.367342
where:
bonds (distance) C4'-P energy: -99.925
bonds (distance) P-C4' energy: -102.031
flat angles C4'-P-C4' energy: -107.214
flat angles P-C4'-P energy: -78.318
tors. eta vs tors. theta energy: -129.880
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: 93
Temperature: 1.100000
Total energy: -1574.542804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.542804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.542804 (E_RNA)
where:
Base-Base interactions energy: -1095.838
where: short stacking energy: -451.339
Base-Backbone interact. energy: -4.153
local terms energy: -474.551945
where:
bonds (distance) C4'-P energy: -87.129
bonds (distance) P-C4' energy: -98.072
flat angles C4'-P-C4' energy: -90.726
flat angles P-C4'-P energy: -69.802
tors. eta vs tors. theta energy: -128.823
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: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1461.481710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.481710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.481710 (E_RNA)
where:
Base-Base interactions energy: -996.912
where: short stacking energy: -405.775
Base-Backbone interact. energy: 1.133
local terms energy: -465.702360
where:
bonds (distance) C4'-P energy: -87.667
bonds (distance) P-C4' energy: -97.869
flat angles C4'-P-C4' energy: -102.928
flat angles P-C4'-P energy: -80.669
tors. eta vs tors. theta energy: -96.570
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: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1323.581455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.581455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.581455 (E_RNA)
where:
Base-Base interactions energy: -912.140
where: short stacking energy: -361.183
Base-Backbone interact. energy: -0.887
local terms energy: -410.553689
where:
bonds (distance) C4'-P energy: -80.059
bonds (distance) P-C4' energy: -102.145
flat angles C4'-P-C4' energy: -101.382
flat angles P-C4'-P energy: -47.091
tors. eta vs tors. theta energy: -79.876
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: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1154.075246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.075246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.075246 (E_RNA)
where:
Base-Base interactions energy: -729.821
where: short stacking energy: -318.215
Base-Backbone interact. energy: -1.725
local terms energy: -422.528794
where:
bonds (distance) C4'-P energy: -99.942
bonds (distance) P-C4' energy: -89.487
flat angles C4'-P-C4' energy: -102.644
flat angles P-C4'-P energy: -56.084
tors. eta vs tors. theta energy: -74.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -937.342507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.342507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.342507 (E_RNA)
where:
Base-Base interactions energy: -601.105
where: short stacking energy: -266.513
Base-Backbone interact. energy: 3.267
local terms energy: -339.503719
where:
bonds (distance) C4'-P energy: -90.464
bonds (distance) P-C4' energy: -81.629
flat angles C4'-P-C4' energy: -83.808
flat angles P-C4'-P energy: -47.036
tors. eta vs tors. theta energy: -36.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -612.994205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.994205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.994205 (E_RNA)
where:
Base-Base interactions energy: -314.192
where: short stacking energy: -162.244
Base-Backbone interact. energy: -3.227
local terms energy: -295.575427
where:
bonds (distance) C4'-P energy: -96.340
bonds (distance) P-C4' energy: -86.077
flat angles C4'-P-C4' energy: -77.451
flat angles P-C4'-P energy: -37.158
tors. eta vs tors. theta energy: 1.451
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: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1875.297413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.297413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.297413 (E_RNA)
where:
Base-Base interactions energy: -1287.099
where: short stacking energy: -547.762
Base-Backbone interact. energy: -3.462
local terms energy: -584.736515
where:
bonds (distance) C4'-P energy: -111.248
bonds (distance) P-C4' energy: -99.642
flat angles C4'-P-C4' energy: -123.222
flat angles P-C4'-P energy: -82.370
tors. eta vs tors. theta energy: -168.255
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: 94
Temperature: 0.950000
Total energy: -1810.965995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.965995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.965995 (E_RNA)
where:
Base-Base interactions energy: -1248.015
where: short stacking energy: -524.665
Base-Backbone interact. energy: -2.595
local terms energy: -560.356848
where:
bonds (distance) C4'-P energy: -112.174
bonds (distance) P-C4' energy: -100.535
flat angles C4'-P-C4' energy: -129.436
flat angles P-C4'-P energy: -69.139
tors. eta vs tors. theta energy: -149.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1704.593902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.593902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.593902 (E_RNA)
where:
Base-Base interactions energy: -1188.856
where: short stacking energy: -494.012
Base-Backbone interact. energy: 2.341
local terms energy: -518.078569
where:
bonds (distance) C4'-P energy: -85.698
bonds (distance) P-C4' energy: -109.261
flat angles C4'-P-C4' energy: -113.770
flat angles P-C4'-P energy: -74.903
tors. eta vs tors. theta energy: -134.446
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: 94
Temperature: 1.050000
Total energy: -1599.164894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.164894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.164894 (E_RNA)
where:
Base-Base interactions energy: -1088.632
where: short stacking energy: -463.152
Base-Backbone interact. energy: 0.184
local terms energy: -510.717298
where:
bonds (distance) C4'-P energy: -85.865
bonds (distance) P-C4' energy: -106.584
flat angles C4'-P-C4' energy: -112.254
flat angles P-C4'-P energy: -80.551
tors. eta vs tors. theta energy: -125.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1572.275392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.275392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.275392 (E_RNA)
where:
Base-Base interactions energy: -1083.926
where: short stacking energy: -448.817
Base-Backbone interact. energy: -2.925
local terms energy: -485.424415
where:
bonds (distance) C4'-P energy: -99.222
bonds (distance) P-C4' energy: -102.029
flat angles C4'-P-C4' energy: -107.655
flat angles P-C4'-P energy: -59.346
tors. eta vs tors. theta energy: -117.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1485.174079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.174079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.174079 (E_RNA)
where:
Base-Base interactions energy: -1029.299
where: short stacking energy: -427.107
Base-Backbone interact. energy: -1.634
local terms energy: -454.241924
where:
bonds (distance) C4'-P energy: -92.764
bonds (distance) P-C4' energy: -91.940
flat angles C4'-P-C4' energy: -91.235
flat angles P-C4'-P energy: -68.342
tors. eta vs tors. theta energy: -109.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1333.840458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.840458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.840458 (E_RNA)
where:
Base-Base interactions energy: -886.344
where: short stacking energy: -385.927
Base-Backbone interact. energy: -0.520
local terms energy: -446.976499
where:
bonds (distance) C4'-P energy: -82.456
bonds (distance) P-C4' energy: -107.634
flat angles C4'-P-C4' energy: -108.302
flat angles P-C4'-P energy: -54.671
tors. eta vs tors. theta energy: -93.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1217.976819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.976819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.976819 (E_RNA)
where:
Base-Base interactions energy: -799.256
where: short stacking energy: -370.503
Base-Backbone interact. energy: -1.871
local terms energy: -416.849620
where:
bonds (distance) C4'-P energy: -88.629
bonds (distance) P-C4' energy: -90.308
flat angles C4'-P-C4' energy: -96.736
flat angles P-C4'-P energy: -57.719
tors. eta vs tors. theta energy: -83.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -932.882753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.882753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.882753 (E_RNA)
where:
Base-Base interactions energy: -573.246
where: short stacking energy: -270.049
Base-Backbone interact. energy: -1.849
local terms energy: -357.787673
where:
bonds (distance) C4'-P energy: -95.706
bonds (distance) P-C4' energy: -80.495
flat angles C4'-P-C4' energy: -89.166
flat angles P-C4'-P energy: -55.414
tors. eta vs tors. theta energy: -37.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -634.102971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.102971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.102971 (E_RNA)
where:
Base-Base interactions energy: -320.937
where: short stacking energy: -172.212
Base-Backbone interact. energy: -2.071
local terms energy: -311.094883
where:
bonds (distance) C4'-P energy: -91.308
bonds (distance) P-C4' energy: -91.827
flat angles C4'-P-C4' energy: -87.231
flat angles P-C4'-P energy: -47.813
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: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1866.679979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.679979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.679979 (E_RNA)
where:
Base-Base interactions energy: -1277.985
where: short stacking energy: -534.291
Base-Backbone interact. energy: -4.266
local terms energy: -584.428935
where:
bonds (distance) C4'-P energy: -115.600
bonds (distance) P-C4' energy: -114.199
flat angles C4'-P-C4' energy: -115.643
flat angles P-C4'-P energy: -81.827
tors. eta vs tors. theta energy: -157.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1812.193691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.193691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.193691 (E_RNA)
where:
Base-Base interactions energy: -1254.117
where: short stacking energy: -522.839
Base-Backbone interact. energy: 2.558
local terms energy: -560.634466
where:
bonds (distance) C4'-P energy: -108.649
bonds (distance) P-C4' energy: -108.116
flat angles C4'-P-C4' energy: -130.397
flat angles P-C4'-P energy: -71.531
tors. eta vs tors. theta energy: -141.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1747.498057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.498057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.498057 (E_RNA)
where:
Base-Base interactions energy: -1207.529
where: short stacking energy: -489.044
Base-Backbone interact. energy: -0.924
local terms energy: -539.044985
where:
bonds (distance) C4'-P energy: -101.475
bonds (distance) P-C4' energy: -110.300
flat angles C4'-P-C4' energy: -114.743
flat angles P-C4'-P energy: -77.278
tors. eta vs tors. theta energy: -135.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1646.728200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.728200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.728200 (E_RNA)
where:
Base-Base interactions energy: -1150.223
where: short stacking energy: -482.280
Base-Backbone interact. energy: -4.102
local terms energy: -492.402997
where:
bonds (distance) C4'-P energy: -103.206
bonds (distance) P-C4' energy: -95.834
flat angles C4'-P-C4' energy: -101.874
flat angles P-C4'-P energy: -66.338
tors. eta vs tors. theta energy: -125.151
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: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1582.274626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.274626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.274626 (E_RNA)
where:
Base-Base interactions energy: -1055.358
where: short stacking energy: -465.595
Base-Backbone interact. energy: -0.114
local terms energy: -526.803402
where:
bonds (distance) C4'-P energy: -119.689
bonds (distance) P-C4' energy: -110.601
flat angles C4'-P-C4' energy: -105.196
flat angles P-C4'-P energy: -62.978
tors. eta vs tors. theta energy: -128.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1454.788803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.788803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.788803 (E_RNA)
where:
Base-Base interactions energy: -993.348
where: short stacking energy: -398.083
Base-Backbone interact. energy: -0.737
local terms energy: -460.703354
where:
bonds (distance) C4'-P energy: -87.867
bonds (distance) P-C4' energy: -98.258
flat angles C4'-P-C4' energy: -107.314
flat angles P-C4'-P energy: -74.993
tors. eta vs tors. theta energy: -92.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1372.005226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.005226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.005226 (E_RNA)
where:
Base-Base interactions energy: -936.023
where: short stacking energy: -391.095
Base-Backbone interact. energy: -1.793
local terms energy: -434.188777
where:
bonds (distance) C4'-P energy: -73.822
bonds (distance) P-C4' energy: -93.140
flat angles C4'-P-C4' energy: -95.418
flat angles P-C4'-P energy: -79.517
tors. eta vs tors. theta energy: -92.292
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: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1213.280603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.280603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.280603 (E_RNA)
where:
Base-Base interactions energy: -779.498
where: short stacking energy: -340.162
Base-Backbone interact. energy: -2.895
local terms energy: -430.887447
where:
bonds (distance) C4'-P energy: -85.077
bonds (distance) P-C4' energy: -110.748
flat angles C4'-P-C4' energy: -89.009
flat angles P-C4'-P energy: -55.065
tors. eta vs tors. theta energy: -90.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -992.602522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.602522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.602522 (E_RNA)
where:
Base-Base interactions energy: -608.107
where: short stacking energy: -262.771
Base-Backbone interact. energy: 1.466
local terms energy: -385.961955
where:
bonds (distance) C4'-P energy: -87.526
bonds (distance) P-C4' energy: -96.263
flat angles C4'-P-C4' energy: -87.981
flat angles P-C4'-P energy: -62.344
tors. eta vs tors. theta energy: -51.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -580.303070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.303070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.303070 (E_RNA)
where:
Base-Base interactions energy: -288.670
where: short stacking energy: -144.711
Base-Backbone interact. energy: -0.576
local terms energy: -291.057088
where:
bonds (distance) C4'-P energy: -83.725
bonds (distance) P-C4' energy: -96.959
flat angles C4'-P-C4' energy: -61.816
flat angles P-C4'-P energy: -54.285
tors. eta vs tors. theta energy: 5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1842.770628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.770628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.770628 (E_RNA)
where:
Base-Base interactions energy: -1259.783
where: short stacking energy: -532.973
Base-Backbone interact. energy: -1.913
local terms energy: -581.074548
where:
bonds (distance) C4'-P energy: -114.865
bonds (distance) P-C4' energy: -108.963
flat angles C4'-P-C4' energy: -124.163
flat angles P-C4'-P energy: -81.641
tors. eta vs tors. theta energy: -151.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1794.058151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.058151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.058151 (E_RNA)
where:
Base-Base interactions energy: -1239.587
where: short stacking energy: -531.003
Base-Backbone interact. energy: -1.071
local terms energy: -553.400014
where:
bonds (distance) C4'-P energy: -114.061
bonds (distance) P-C4' energy: -103.037
flat angles C4'-P-C4' energy: -120.518
flat angles P-C4'-P energy: -69.313
tors. eta vs tors. theta energy: -146.471
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: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1745.387690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.387690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.387690 (E_RNA)
where:
Base-Base interactions energy: -1171.049
where: short stacking energy: -484.643
Base-Backbone interact. energy: -2.434
local terms energy: -571.905011
where:
bonds (distance) C4'-P energy: -109.457
bonds (distance) P-C4' energy: -109.548
flat angles C4'-P-C4' energy: -119.206
flat angles P-C4'-P energy: -78.553
tors. eta vs tors. theta energy: -155.140
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: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1632.175846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.175846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.175846 (E_RNA)
where:
Base-Base interactions energy: -1124.250
where: short stacking energy: -469.260
Base-Backbone interact. energy: -4.391
local terms energy: -503.535522
where:
bonds (distance) C4'-P energy: -95.992
bonds (distance) P-C4' energy: -86.716
flat angles C4'-P-C4' energy: -107.554
flat angles P-C4'-P energy: -82.611
tors. eta vs tors. theta energy: -130.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1589.829967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.829967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.829967 (E_RNA)
where:
Base-Base interactions energy: -1068.044
where: short stacking energy: -462.934
Base-Backbone interact. energy: 1.036
local terms energy: -522.821960
where:
bonds (distance) C4'-P energy: -100.947
bonds (distance) P-C4' energy: -101.632
flat angles C4'-P-C4' energy: -110.388
flat angles P-C4'-P energy: -73.397
tors. eta vs tors. theta energy: -136.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1446.975773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.975773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.975773 (E_RNA)
where:
Base-Base interactions energy: -995.886
where: short stacking energy: -412.405
Base-Backbone interact. energy: 3.251
local terms energy: -454.340238
where:
bonds (distance) C4'-P energy: -82.564
bonds (distance) P-C4' energy: -94.542
flat angles C4'-P-C4' energy: -107.618
flat angles P-C4'-P energy: -58.221
tors. eta vs tors. theta energy: -111.394
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: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1398.841292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.841292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.841292 (E_RNA)
where:
Base-Base interactions energy: -940.527
where: short stacking energy: -388.110
Base-Backbone interact. energy: -1.243
local terms energy: -457.071313
where:
bonds (distance) C4'-P energy: -103.685
bonds (distance) P-C4' energy: -98.487
flat angles C4'-P-C4' energy: -97.057
flat angles P-C4'-P energy: -57.736
tors. eta vs tors. theta energy: -100.106
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: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1231.394033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.394033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.394033 (E_RNA)
where:
Base-Base interactions energy: -818.498
where: short stacking energy: -369.932
Base-Backbone interact. energy: -0.877
local terms energy: -412.018504
where:
bonds (distance) C4'-P energy: -99.863
bonds (distance) P-C4' energy: -68.186
flat angles C4'-P-C4' energy: -88.169
flat angles P-C4'-P energy: -67.941
tors. eta vs tors. theta energy: -87.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -960.571937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.571937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.571937 (E_RNA)
where:
Base-Base interactions energy: -595.233
where: short stacking energy: -250.270
Base-Backbone interact. energy: -2.049
local terms energy: -363.289575
where:
bonds (distance) C4'-P energy: -102.452
bonds (distance) P-C4' energy: -105.350
flat angles C4'-P-C4' energy: -74.377
flat angles P-C4'-P energy: -45.082
tors. eta vs tors. theta energy: -36.030
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: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -638.428376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.428376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.428376 (E_RNA)
where:
Base-Base interactions energy: -339.568
where: short stacking energy: -172.389
Base-Backbone interact. energy: 0.423
local terms energy: -299.283057
where:
bonds (distance) C4'-P energy: -82.272
bonds (distance) P-C4' energy: -77.801
flat angles C4'-P-C4' energy: -70.741
flat angles P-C4'-P energy: -48.522
tors. eta vs tors. theta energy: -19.948
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: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1856.995683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.995683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.995683 (E_RNA)
where:
Base-Base interactions energy: -1273.578
where: short stacking energy: -539.125
Base-Backbone interact. energy: -5.971
local terms energy: -577.447419
where:
bonds (distance) C4'-P energy: -117.615
bonds (distance) P-C4' energy: -113.717
flat angles C4'-P-C4' energy: -126.329
flat angles P-C4'-P energy: -75.596
tors. eta vs tors. theta energy: -144.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1805.160824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.160824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.160824 (E_RNA)
where:
Base-Base interactions energy: -1263.719
where: short stacking energy: -516.004
Base-Backbone interact. energy: -0.105
local terms energy: -541.337320
where:
bonds (distance) C4'-P energy: -103.905
bonds (distance) P-C4' energy: -96.508
flat angles C4'-P-C4' energy: -106.761
flat angles P-C4'-P energy: -81.519
tors. eta vs tors. theta energy: -152.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1725.849281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.849281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.849281 (E_RNA)
where:
Base-Base interactions energy: -1187.401
where: short stacking energy: -471.370
Base-Backbone interact. energy: -1.350
local terms energy: -537.097743
where:
bonds (distance) C4'-P energy: -96.489
bonds (distance) P-C4' energy: -106.228
flat angles C4'-P-C4' energy: -110.663
flat angles P-C4'-P energy: -84.968
tors. eta vs tors. theta energy: -138.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1658.165087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.165087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.165087 (E_RNA)
where:
Base-Base interactions energy: -1118.497
where: short stacking energy: -490.872
Base-Backbone interact. energy: -1.497
local terms energy: -538.170966
where:
bonds (distance) C4'-P energy: -98.621
bonds (distance) P-C4' energy: -110.896
flat angles C4'-P-C4' energy: -117.582
flat angles P-C4'-P energy: -79.792
tors. eta vs tors. theta energy: -131.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1613.252010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.252010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.252010 (E_RNA)
where:
Base-Base interactions energy: -1126.625
where: short stacking energy: -471.538
Base-Backbone interact. energy: -2.210
local terms energy: -484.416944
where:
bonds (distance) C4'-P energy: -92.200
bonds (distance) P-C4' energy: -88.107
flat angles C4'-P-C4' energy: -107.010
flat angles P-C4'-P energy: -66.166
tors. eta vs tors. theta energy: -130.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1455.367414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.367414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.367414 (E_RNA)
where:
Base-Base interactions energy: -993.068
where: short stacking energy: -414.947
Base-Backbone interact. energy: -3.436
local terms energy: -458.863238
where:
bonds (distance) C4'-P energy: -83.092
bonds (distance) P-C4' energy: -91.588
flat angles C4'-P-C4' energy: -112.027
flat angles P-C4'-P energy: -66.416
tors. eta vs tors. theta energy: -105.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1437.521728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.521728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.521728 (E_RNA)
where:
Base-Base interactions energy: -999.027
where: short stacking energy: -408.786
Base-Backbone interact. energy: 0.686
local terms energy: -439.180771
where:
bonds (distance) C4'-P energy: -82.625
bonds (distance) P-C4' energy: -89.087
flat angles C4'-P-C4' energy: -110.159
flat angles P-C4'-P energy: -51.466
tors. eta vs tors. theta energy: -105.843
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: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1205.609334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.609334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.609334 (E_RNA)
where:
Base-Base interactions energy: -788.451
where: short stacking energy: -326.219
Base-Backbone interact. energy: -0.101
local terms energy: -417.056951
where:
bonds (distance) C4'-P energy: -78.962
bonds (distance) P-C4' energy: -100.699
flat angles C4'-P-C4' energy: -93.303
flat angles P-C4'-P energy: -66.638
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: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -999.014505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.014505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.014505 (E_RNA)
where:
Base-Base interactions energy: -656.414
where: short stacking energy: -282.579
Base-Backbone interact. energy: -0.077
local terms energy: -342.523094
where:
bonds (distance) C4'-P energy: -101.134
bonds (distance) P-C4' energy: -80.379
flat angles C4'-P-C4' energy: -90.410
flat angles P-C4'-P energy: -33.768
tors. eta vs tors. theta energy: -36.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -584.998912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.998912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.998912 (E_RNA)
where:
Base-Base interactions energy: -299.677
where: short stacking energy: -156.437
Base-Backbone interact. energy: 7.648
local terms energy: -292.970228
where:
bonds (distance) C4'-P energy: -94.069
bonds (distance) P-C4' energy: -97.622
flat angles C4'-P-C4' energy: -66.664
flat angles P-C4'-P energy: -45.713
tors. eta vs tors. theta energy: 11.097
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: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1868.151309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.151309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.151309 (E_RNA)
where:
Base-Base interactions energy: -1305.074
where: short stacking energy: -527.468
Base-Backbone interact. energy: 0.685
local terms energy: -563.762160
where:
bonds (distance) C4'-P energy: -86.219
bonds (distance) P-C4' energy: -108.460
flat angles C4'-P-C4' energy: -117.585
flat angles P-C4'-P energy: -89.371
tors. eta vs tors. theta energy: -162.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1804.194405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.194405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.194405 (E_RNA)
where:
Base-Base interactions energy: -1231.388
where: short stacking energy: -512.127
Base-Backbone interact. energy: -1.672
local terms energy: -571.133669
where:
bonds (distance) C4'-P energy: -107.536
bonds (distance) P-C4' energy: -120.223
flat angles C4'-P-C4' energy: -119.411
flat angles P-C4'-P energy: -79.180
tors. eta vs tors. theta energy: -144.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1705.168404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.168404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.168404 (E_RNA)
where:
Base-Base interactions energy: -1171.169
where: short stacking energy: -501.734
Base-Backbone interact. energy: -1.381
local terms energy: -532.618541
where:
bonds (distance) C4'-P energy: -86.900
bonds (distance) P-C4' energy: -109.167
flat angles C4'-P-C4' energy: -110.458
flat angles P-C4'-P energy: -75.219
tors. eta vs tors. theta energy: -150.875
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: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1660.932647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.932647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.932647 (E_RNA)
where:
Base-Base interactions energy: -1161.699
where: short stacking energy: -494.865
Base-Backbone interact. energy: 0.333
local terms energy: -499.565952
where:
bonds (distance) C4'-P energy: -95.632
bonds (distance) P-C4' energy: -101.928
flat angles C4'-P-C4' energy: -106.162
flat angles P-C4'-P energy: -69.739
tors. eta vs tors. theta energy: -126.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1596.082911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.082911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.082911 (E_RNA)
where:
Base-Base interactions energy: -1111.485
where: short stacking energy: -456.521
Base-Backbone interact. energy: 1.110
local terms energy: -485.707698
where:
bonds (distance) C4'-P energy: -98.238
bonds (distance) P-C4' energy: -99.063
flat angles C4'-P-C4' energy: -111.285
flat angles P-C4'-P energy: -56.068
tors. eta vs tors. theta energy: -121.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1419.692303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.692303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.692303 (E_RNA)
where:
Base-Base interactions energy: -960.586
where: short stacking energy: -403.255
Base-Backbone interact. energy: -1.532
local terms energy: -457.575100
where:
bonds (distance) C4'-P energy: -87.686
bonds (distance) P-C4' energy: -87.613
flat angles C4'-P-C4' energy: -107.066
flat angles P-C4'-P energy: -76.381
tors. eta vs tors. theta energy: -98.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1443.040603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.040603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.040603 (E_RNA)
where:
Base-Base interactions energy: -994.274
where: short stacking energy: -414.376
Base-Backbone interact. energy: 2.112
local terms energy: -450.878060
where:
bonds (distance) C4'-P energy: -101.034
bonds (distance) P-C4' energy: -101.930
flat angles C4'-P-C4' energy: -82.917
flat angles P-C4'-P energy: -54.173
tors. eta vs tors. theta energy: -110.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1162.930672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.930672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.930672 (E_RNA)
where:
Base-Base interactions energy: -755.255
where: short stacking energy: -339.884
Base-Backbone interact. energy: -1.919
local terms energy: -405.757199
where:
bonds (distance) C4'-P energy: -84.844
bonds (distance) P-C4' energy: -102.493
flat angles C4'-P-C4' energy: -94.096
flat angles P-C4'-P energy: -46.446
tors. eta vs tors. theta energy: -77.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -983.133502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.133502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.133502 (E_RNA)
where:
Base-Base interactions energy: -644.860
where: short stacking energy: -279.905
Base-Backbone interact. energy: 1.512
local terms energy: -339.785105
where:
bonds (distance) C4'-P energy: -73.250
bonds (distance) P-C4' energy: -81.037
flat angles C4'-P-C4' energy: -93.835
flat angles P-C4'-P energy: -35.137
tors. eta vs tors. theta energy: -56.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -605.911061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.911061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.911061 (E_RNA)
where:
Base-Base interactions energy: -325.067
where: short stacking energy: -163.199
Base-Backbone interact. energy: 1.229
local terms energy: -282.073789
where:
bonds (distance) C4'-P energy: -74.973
bonds (distance) P-C4' energy: -77.863
flat angles C4'-P-C4' energy: -86.520
flat angles P-C4'-P energy: -42.807
tors. eta vs tors. theta energy: 0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1875.559970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.559970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.559970 (E_RNA)
where:
Base-Base interactions energy: -1310.858
where: short stacking energy: -539.716
Base-Backbone interact. energy: -1.611
local terms energy: -563.091017
where:
bonds (distance) C4'-P energy: -94.545
bonds (distance) P-C4' energy: -101.921
flat angles C4'-P-C4' energy: -117.166
flat angles P-C4'-P energy: -85.903
tors. eta vs tors. theta energy: -163.556
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: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1783.870333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.870333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.870333 (E_RNA)
where:
Base-Base interactions energy: -1223.118
where: short stacking energy: -501.696
Base-Backbone interact. energy: -1.985
local terms energy: -558.767295
where:
bonds (distance) C4'-P energy: -106.204
bonds (distance) P-C4' energy: -95.673
flat angles C4'-P-C4' energy: -126.755
flat angles P-C4'-P energy: -90.101
tors. eta vs tors. theta energy: -140.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1679.815645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.815645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.815645 (E_RNA)
where:
Base-Base interactions energy: -1165.771
where: short stacking energy: -516.059
Base-Backbone interact. energy: 0.596
local terms energy: -514.641326
where:
bonds (distance) C4'-P energy: -105.612
bonds (distance) P-C4' energy: -80.571
flat angles C4'-P-C4' energy: -105.402
flat angles P-C4'-P energy: -70.859
tors. eta vs tors. theta energy: -152.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1660.627677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.627677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.627677 (E_RNA)
where:
Base-Base interactions energy: -1145.835
where: short stacking energy: -496.707
Base-Backbone interact. energy: 1.413
local terms energy: -516.205094
where:
bonds (distance) C4'-P energy: -94.260
bonds (distance) P-C4' energy: -91.235
flat angles C4'-P-C4' energy: -108.132
flat angles P-C4'-P energy: -78.979
tors. eta vs tors. theta energy: -143.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1638.432942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.432942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.432942 (E_RNA)
where:
Base-Base interactions energy: -1122.644
where: short stacking energy: -473.568
Base-Backbone interact. energy: -0.684
local terms energy: -515.105076
where:
bonds (distance) C4'-P energy: -110.461
bonds (distance) P-C4' energy: -104.846
flat angles C4'-P-C4' energy: -96.693
flat angles P-C4'-P energy: -76.077
tors. eta vs tors. theta energy: -127.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1438.817965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.817965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.817965 (E_RNA)
where:
Base-Base interactions energy: -968.325
where: short stacking energy: -397.018
Base-Backbone interact. energy: 4.027
local terms energy: -474.519993
where:
bonds (distance) C4'-P energy: -110.405
bonds (distance) P-C4' energy: -81.870
flat angles C4'-P-C4' energy: -118.299
flat angles P-C4'-P energy: -64.664
tors. eta vs tors. theta energy: -99.283
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: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1408.626729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.626729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.626729 (E_RNA)
where:
Base-Base interactions energy: -956.866
where: short stacking energy: -403.517
Base-Backbone interact. energy: 0.629
local terms energy: -452.389713
where:
bonds (distance) C4'-P energy: -94.232
bonds (distance) P-C4' energy: -96.930
flat angles C4'-P-C4' energy: -104.998
flat angles P-C4'-P energy: -58.753
tors. eta vs tors. theta energy: -97.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1167.230277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.230277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.230277 (E_RNA)
where:
Base-Base interactions energy: -756.864
where: short stacking energy: -333.996
Base-Backbone interact. energy: -0.481
local terms energy: -409.885126
where:
bonds (distance) C4'-P energy: -80.156
bonds (distance) P-C4' energy: -105.290
flat angles C4'-P-C4' energy: -94.535
flat angles P-C4'-P energy: -53.489
tors. eta vs tors. theta energy: -76.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -944.035974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.035974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.035974 (E_RNA)
where:
Base-Base interactions energy: -587.151
where: short stacking energy: -264.162
Base-Backbone interact. energy: 0.942
local terms energy: -357.826446
where:
bonds (distance) C4'-P energy: -78.626
bonds (distance) P-C4' energy: -86.820
flat angles C4'-P-C4' energy: -90.063
flat angles P-C4'-P energy: -45.891
tors. eta vs tors. theta energy: -56.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -609.646847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.646847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.646847 (E_RNA)
where:
Base-Base interactions energy: -291.600
where: short stacking energy: -169.754
Base-Backbone interact. energy: -2.773
local terms energy: -315.273630
where:
bonds (distance) C4'-P energy: -95.170
bonds (distance) P-C4' energy: -101.550
flat angles C4'-P-C4' energy: -67.430
flat angles P-C4'-P energy: -48.408
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1889.459900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.459900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.459900 (E_RNA)
where:
Base-Base interactions energy: -1293.556
where: short stacking energy: -543.383
Base-Backbone interact. energy: -3.451
local terms energy: -592.452791
where:
bonds (distance) C4'-P energy: -105.623
bonds (distance) P-C4' energy: -116.413
flat angles C4'-P-C4' energy: -112.498
flat angles P-C4'-P energy: -88.310
tors. eta vs tors. theta energy: -169.609
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: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1781.717947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.717947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.717947 (E_RNA)
where:
Base-Base interactions energy: -1201.260
where: short stacking energy: -496.873
Base-Backbone interact. energy: -3.031
local terms energy: -577.427653
where:
bonds (distance) C4'-P energy: -120.217
bonds (distance) P-C4' energy: -107.812
flat angles C4'-P-C4' energy: -123.652
flat angles P-C4'-P energy: -74.954
tors. eta vs tors. theta energy: -150.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1690.748787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.748787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.748787 (E_RNA)
where:
Base-Base interactions energy: -1147.742
where: short stacking energy: -512.667
Base-Backbone interact. energy: 0.383
local terms energy: -543.390035
where:
bonds (distance) C4'-P energy: -93.033
bonds (distance) P-C4' energy: -104.146
flat angles C4'-P-C4' energy: -108.849
flat angles P-C4'-P energy: -89.443
tors. eta vs tors. theta energy: -147.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1643.497536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.497536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.497536 (E_RNA)
where:
Base-Base interactions energy: -1128.805
where: short stacking energy: -464.451
Base-Backbone interact. energy: -1.093
local terms energy: -513.598692
where:
bonds (distance) C4'-P energy: -93.825
bonds (distance) P-C4' energy: -101.318
flat angles C4'-P-C4' energy: -116.357
flat angles P-C4'-P energy: -64.860
tors. eta vs tors. theta energy: -137.239
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: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1572.524502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.524502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.524502 (E_RNA)
where:
Base-Base interactions energy: -1098.354
where: short stacking energy: -431.306
Base-Backbone interact. energy: -4.203
local terms energy: -469.967678
where:
bonds (distance) C4'-P energy: -96.580
bonds (distance) P-C4' energy: -105.591
flat angles C4'-P-C4' energy: -94.097
flat angles P-C4'-P energy: -62.240
tors. eta vs tors. theta energy: -111.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1406.804418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.804418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.804418 (E_RNA)
where:
Base-Base interactions energy: -960.310
where: short stacking energy: -391.849
Base-Backbone interact. energy: -0.536
local terms energy: -445.958637
where:
bonds (distance) C4'-P energy: -89.089
bonds (distance) P-C4' energy: -104.676
flat angles C4'-P-C4' energy: -88.392
flat angles P-C4'-P energy: -54.988
tors. eta vs tors. theta energy: -108.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1399.901165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.901165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.901165 (E_RNA)
where:
Base-Base interactions energy: -974.309
where: short stacking energy: -394.080
Base-Backbone interact. energy: -1.221
local terms energy: -424.370757
where:
bonds (distance) C4'-P energy: -96.932
bonds (distance) P-C4' energy: -81.678
flat angles C4'-P-C4' energy: -99.130
flat angles P-C4'-P energy: -64.168
tors. eta vs tors. theta energy: -82.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1164.074074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.074074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.074074 (E_RNA)
where:
Base-Base interactions energy: -776.543
where: short stacking energy: -327.863
Base-Backbone interact. energy: 0.379
local terms energy: -387.909883
where:
bonds (distance) C4'-P energy: -86.672
bonds (distance) P-C4' energy: -91.549
flat angles C4'-P-C4' energy: -89.457
flat angles P-C4'-P energy: -48.880
tors. eta vs tors. theta energy: -71.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -983.421200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.421200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.421200 (E_RNA)
where:
Base-Base interactions energy: -603.739
where: short stacking energy: -258.048
Base-Backbone interact. energy: -1.380
local terms energy: -378.301933
where:
bonds (distance) C4'-P energy: -90.191
bonds (distance) P-C4' energy: -95.102
flat angles C4'-P-C4' energy: -84.025
flat angles P-C4'-P energy: -63.844
tors. eta vs tors. theta energy: -45.140
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: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -603.217420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.217420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.217420 (E_RNA)
where:
Base-Base interactions energy: -296.957
where: short stacking energy: -168.676
Base-Backbone interact. energy: 0.994
local terms energy: -307.254264
where:
bonds (distance) C4'-P energy: -85.780
bonds (distance) P-C4' energy: -85.511
flat angles C4'-P-C4' energy: -93.460
flat angles P-C4'-P energy: -44.631
tors. eta vs tors. theta energy: 2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1898.927332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.927332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.927332 (E_RNA)
where:
Base-Base interactions energy: -1287.989
where: short stacking energy: -562.949
Base-Backbone interact. energy: -6.383
local terms energy: -604.554876
where:
bonds (distance) C4'-P energy: -108.888
bonds (distance) P-C4' energy: -112.344
flat angles C4'-P-C4' energy: -130.669
flat angles P-C4'-P energy: -80.565
tors. eta vs tors. theta energy: -172.088
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: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1779.404930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.404930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.404930 (E_RNA)
where:
Base-Base interactions energy: -1211.117
where: short stacking energy: -509.400
Base-Backbone interact. energy: -2.739
local terms energy: -565.548939
where:
bonds (distance) C4'-P energy: -109.457
bonds (distance) P-C4' energy: -112.730
flat angles C4'-P-C4' energy: -115.930
flat angles P-C4'-P energy: -78.030
tors. eta vs tors. theta energy: -149.401
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: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1693.342150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.342150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.342150 (E_RNA)
where:
Base-Base interactions energy: -1137.521
where: short stacking energy: -517.533
Base-Backbone interact. energy: -1.575
local terms energy: -554.246436
where:
bonds (distance) C4'-P energy: -88.450
bonds (distance) P-C4' energy: -106.245
flat angles C4'-P-C4' energy: -116.571
flat angles P-C4'-P energy: -91.264
tors. eta vs tors. theta energy: -151.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1621.800487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.800487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.800487 (E_RNA)
where:
Base-Base interactions energy: -1110.124
where: short stacking energy: -436.646
Base-Backbone interact. energy: -2.454
local terms energy: -509.222836
where:
bonds (distance) C4'-P energy: -95.504
bonds (distance) P-C4' energy: -97.079
flat angles C4'-P-C4' energy: -115.414
flat angles P-C4'-P energy: -80.477
tors. eta vs tors. theta energy: -120.749
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: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1557.714927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.714927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.714927 (E_RNA)
where:
Base-Base interactions energy: -1057.173
where: short stacking energy: -421.239
Base-Backbone interact. energy: -3.776
local terms energy: -496.766534
where:
bonds (distance) C4'-P energy: -98.597
bonds (distance) P-C4' energy: -98.881
flat angles C4'-P-C4' energy: -104.424
flat angles P-C4'-P energy: -69.396
tors. eta vs tors. theta energy: -125.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1441.177227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.177227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.177227 (E_RNA)
where:
Base-Base interactions energy: -982.818
where: short stacking energy: -415.297
Base-Backbone interact. energy: 0.284
local terms energy: -458.643360
where:
bonds (distance) C4'-P energy: -85.332
bonds (distance) P-C4' energy: -87.150
flat angles C4'-P-C4' energy: -112.317
flat angles P-C4'-P energy: -67.242
tors. eta vs tors. theta energy: -106.602
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: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1405.144307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.144307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.144307 (E_RNA)
where:
Base-Base interactions energy: -964.805
where: short stacking energy: -423.987
Base-Backbone interact. energy: -2.428
local terms energy: -437.911169
where:
bonds (distance) C4'-P energy: -84.682
bonds (distance) P-C4' energy: -82.787
flat angles C4'-P-C4' energy: -105.490
flat angles P-C4'-P energy: -57.926
tors. eta vs tors. theta energy: -107.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1207.587958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.587958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.587958 (E_RNA)
where:
Base-Base interactions energy: -793.838
where: short stacking energy: -351.125
Base-Backbone interact. energy: -0.776
local terms energy: -412.974558
where:
bonds (distance) C4'-P energy: -80.577
bonds (distance) P-C4' energy: -96.662
flat angles C4'-P-C4' energy: -92.881
flat angles P-C4'-P energy: -63.507
tors. eta vs tors. theta energy: -79.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -969.175105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.175105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.175105 (E_RNA)
where:
Base-Base interactions energy: -593.742
where: short stacking energy: -270.923
Base-Backbone interact. energy: 2.520
local terms energy: -377.953690
where:
bonds (distance) C4'-P energy: -94.597
bonds (distance) P-C4' energy: -93.279
flat angles C4'-P-C4' energy: -82.155
flat angles P-C4'-P energy: -52.242
tors. eta vs tors. theta energy: -55.681
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: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -651.145433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.145433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.145433 (E_RNA)
where:
Base-Base interactions energy: -338.411
where: short stacking energy: -165.294
Base-Backbone interact. energy: -1.292
local terms energy: -311.442743
where:
bonds (distance) C4'-P energy: -89.664
bonds (distance) P-C4' energy: -94.935
flat angles C4'-P-C4' energy: -74.393
flat angles P-C4'-P energy: -57.823
tors. eta vs tors. theta energy: 5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1902.958802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.958802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.958802 (E_RNA)
where:
Base-Base interactions energy: -1303.363
where: short stacking energy: -531.619
Base-Backbone interact. energy: -1.987
local terms energy: -597.608276
where:
bonds (distance) C4'-P energy: -121.469
bonds (distance) P-C4' energy: -111.019
flat angles C4'-P-C4' energy: -122.181
flat angles P-C4'-P energy: -81.580
tors. eta vs tors. theta energy: -161.359
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: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1798.745192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.745192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.745192 (E_RNA)
where:
Base-Base interactions energy: -1232.122
where: short stacking energy: -532.209
Base-Backbone interact. energy: -2.823
local terms energy: -563.800021
where:
bonds (distance) C4'-P energy: -113.205
bonds (distance) P-C4' energy: -108.877
flat angles C4'-P-C4' energy: -128.429
flat angles P-C4'-P energy: -61.234
tors. eta vs tors. theta energy: -152.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1711.341890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.341890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.341890 (E_RNA)
where:
Base-Base interactions energy: -1169.177
where: short stacking energy: -531.327
Base-Backbone interact. energy: -0.950
local terms energy: -541.214194
where:
bonds (distance) C4'-P energy: -98.270
bonds (distance) P-C4' energy: -97.320
flat angles C4'-P-C4' energy: -108.689
flat angles P-C4'-P energy: -81.234
tors. eta vs tors. theta energy: -155.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1663.993316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.993316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.993316 (E_RNA)
where:
Base-Base interactions energy: -1155.010
where: short stacking energy: -481.785
Base-Backbone interact. energy: -1.927
local terms energy: -507.056604
where:
bonds (distance) C4'-P energy: -102.488
bonds (distance) P-C4' energy: -92.999
flat angles C4'-P-C4' energy: -102.384
flat angles P-C4'-P energy: -73.650
tors. eta vs tors. theta energy: -135.535
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: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1576.374706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.374706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.374706 (E_RNA)
where:
Base-Base interactions energy: -1112.260
where: short stacking energy: -461.364
Base-Backbone interact. energy: 3.782
local terms energy: -467.896500
where:
bonds (distance) C4'-P energy: -83.167
bonds (distance) P-C4' energy: -95.105
flat angles C4'-P-C4' energy: -99.719
flat angles P-C4'-P energy: -64.567
tors. eta vs tors. theta energy: -125.338
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: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1454.655605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.655605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.655605 (E_RNA)
where:
Base-Base interactions energy: -998.587
where: short stacking energy: -409.877
Base-Backbone interact. energy: 1.539
local terms energy: -457.608275
where:
bonds (distance) C4'-P energy: -84.296
bonds (distance) P-C4' energy: -100.994
flat angles C4'-P-C4' energy: -103.314
flat angles P-C4'-P energy: -64.452
tors. eta vs tors. theta energy: -104.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1413.557953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.557953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.557953 (E_RNA)
where:
Base-Base interactions energy: -939.774
where: short stacking energy: -384.794
Base-Backbone interact. energy: -2.308
local terms energy: -471.476851
where:
bonds (distance) C4'-P energy: -105.028
bonds (distance) P-C4' energy: -101.585
flat angles C4'-P-C4' energy: -95.563
flat angles P-C4'-P energy: -72.289
tors. eta vs tors. theta energy: -97.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1202.358447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.358447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.358447 (E_RNA)
where:
Base-Base interactions energy: -812.193
where: short stacking energy: -370.491
Base-Backbone interact. energy: 3.376
local terms energy: -393.541167
where:
bonds (distance) C4'-P energy: -86.247
bonds (distance) P-C4' energy: -86.017
flat angles C4'-P-C4' energy: -97.979
flat angles P-C4'-P energy: -45.835
tors. eta vs tors. theta energy: -77.464
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: 102
Temperature: 1.300000
Total energy: -996.270942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.270942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.270942 (E_RNA)
where:
Base-Base interactions energy: -619.584
where: short stacking energy: -285.509
Base-Backbone interact. energy: -1.341
local terms energy: -375.345744
where:
bonds (distance) C4'-P energy: -87.501
bonds (distance) P-C4' energy: -89.125
flat angles C4'-P-C4' energy: -96.522
flat angles P-C4'-P energy: -50.809
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: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -588.055024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.055024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.055024 (E_RNA)
where:
Base-Base interactions energy: -308.240
where: short stacking energy: -148.530
Base-Backbone interact. energy: -1.313
local terms energy: -278.501754
where:
bonds (distance) C4'-P energy: -98.046
bonds (distance) P-C4' energy: -86.451
flat angles C4'-P-C4' energy: -79.447
flat angles P-C4'-P energy: -24.662
tors. eta vs tors. theta energy: 10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1897.167187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.167187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.167187 (E_RNA)
where:
Base-Base interactions energy: -1308.391
where: short stacking energy: -534.964
Base-Backbone interact. energy: -1.948
local terms energy: -586.828028
where:
bonds (distance) C4'-P energy: -106.861
bonds (distance) P-C4' energy: -108.561
flat angles C4'-P-C4' energy: -124.376
flat angles P-C4'-P energy: -83.741
tors. eta vs tors. theta energy: -163.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1769.710684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.710684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.710684 (E_RNA)
where:
Base-Base interactions energy: -1210.290
where: short stacking energy: -530.808
Base-Backbone interact. energy: -0.264
local terms energy: -559.156414
where:
bonds (distance) C4'-P energy: -104.749
bonds (distance) P-C4' energy: -103.478
flat angles C4'-P-C4' energy: -105.114
flat angles P-C4'-P energy: -83.495
tors. eta vs tors. theta energy: -162.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1684.237747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.237747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.237747 (E_RNA)
where:
Base-Base interactions energy: -1134.564
where: short stacking energy: -511.006
Base-Backbone interact. energy: -3.087
local terms energy: -546.587363
where:
bonds (distance) C4'-P energy: -100.841
bonds (distance) P-C4' energy: -98.763
flat angles C4'-P-C4' energy: -119.720
flat angles P-C4'-P energy: -83.034
tors. eta vs tors. theta energy: -144.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1636.936828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.936828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.936828 (E_RNA)
where:
Base-Base interactions energy: -1102.804
where: short stacking energy: -457.933
Base-Backbone interact. energy: -4.053
local terms energy: -530.079450
where:
bonds (distance) C4'-P energy: -110.204
bonds (distance) P-C4' energy: -90.466
flat angles C4'-P-C4' energy: -113.029
flat angles P-C4'-P energy: -80.641
tors. eta vs tors. theta energy: -135.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1593.844145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.844145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.844145 (E_RNA)
where:
Base-Base interactions energy: -1080.288
where: short stacking energy: -472.769
Base-Backbone interact. energy: -0.546
local terms energy: -513.010755
where:
bonds (distance) C4'-P energy: -103.885
bonds (distance) P-C4' energy: -99.687
flat angles C4'-P-C4' energy: -107.459
flat angles P-C4'-P energy: -78.448
tors. eta vs tors. theta energy: -123.532
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: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1471.763575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.763575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.763575 (E_RNA)
where:
Base-Base interactions energy: -991.899
where: short stacking energy: -416.533
Base-Backbone interact. energy: -0.309
local terms energy: -479.555578
where:
bonds (distance) C4'-P energy: -91.836
bonds (distance) P-C4' energy: -94.468
flat angles C4'-P-C4' energy: -107.308
flat angles P-C4'-P energy: -70.133
tors. eta vs tors. theta energy: -115.811
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: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1413.024759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.024759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.024759 (E_RNA)
where:
Base-Base interactions energy: -917.383
where: short stacking energy: -387.324
Base-Backbone interact. energy: -0.110
local terms energy: -495.531181
where:
bonds (distance) C4'-P energy: -92.390
bonds (distance) P-C4' energy: -98.192
flat angles C4'-P-C4' energy: -114.013
flat angles P-C4'-P energy: -78.467
tors. eta vs tors. theta energy: -112.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1192.361507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.361507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.361507 (E_RNA)
where:
Base-Base interactions energy: -780.887
where: short stacking energy: -332.426
Base-Backbone interact. energy: -2.537
local terms energy: -408.937276
where:
bonds (distance) C4'-P energy: -89.239
bonds (distance) P-C4' energy: -69.989
flat angles C4'-P-C4' energy: -104.468
flat angles P-C4'-P energy: -59.010
tors. eta vs tors. theta energy: -86.231
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: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1032.900540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.900540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.900540 (E_RNA)
where:
Base-Base interactions energy: -651.597
where: short stacking energy: -272.702
Base-Backbone interact. energy: 0.328
local terms energy: -381.631349
where:
bonds (distance) C4'-P energy: -90.736
bonds (distance) P-C4' energy: -80.921
flat angles C4'-P-C4' energy: -99.769
flat angles P-C4'-P energy: -52.072
tors. eta vs tors. theta energy: -58.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -609.516990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.516990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.516990 (E_RNA)
where:
Base-Base interactions energy: -315.974
where: short stacking energy: -174.728
Base-Backbone interact. energy: -0.942
local terms energy: -292.601306
where:
bonds (distance) C4'-P energy: -81.718
bonds (distance) P-C4' energy: -99.570
flat angles C4'-P-C4' energy: -66.334
flat angles P-C4'-P energy: -40.038
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1916.879921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.879921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.879921 (E_RNA)
where:
Base-Base interactions energy: -1324.734
where: short stacking energy: -550.770
Base-Backbone interact. energy: -2.885
local terms energy: -589.260594
where:
bonds (distance) C4'-P energy: -108.784
bonds (distance) P-C4' energy: -112.131
flat angles C4'-P-C4' energy: -120.997
flat angles P-C4'-P energy: -81.253
tors. eta vs tors. theta energy: -166.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1783.598700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.598700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.598700 (E_RNA)
where:
Base-Base interactions energy: -1222.928
where: short stacking energy: -505.840
Base-Backbone interact. energy: -1.642
local terms energy: -559.028884
where:
bonds (distance) C4'-P energy: -100.248
bonds (distance) P-C4' energy: -109.905
flat angles C4'-P-C4' energy: -116.348
flat angles P-C4'-P energy: -86.777
tors. eta vs tors. theta energy: -145.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1671.340636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.340636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.340636 (E_RNA)
where:
Base-Base interactions energy: -1127.121
where: short stacking energy: -491.543
Base-Backbone interact. energy: -0.157
local terms energy: -544.062553
where:
bonds (distance) C4'-P energy: -104.177
bonds (distance) P-C4' energy: -109.422
flat angles C4'-P-C4' energy: -110.830
flat angles P-C4'-P energy: -75.597
tors. eta vs tors. theta energy: -144.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1620.733606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.733606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.733606 (E_RNA)
where:
Base-Base interactions energy: -1105.072
where: short stacking energy: -442.575
Base-Backbone interact. energy: -0.867
local terms energy: -514.793683
where:
bonds (distance) C4'-P energy: -93.006
bonds (distance) P-C4' energy: -102.488
flat angles C4'-P-C4' energy: -126.619
flat angles P-C4'-P energy: -71.484
tors. eta vs tors. theta energy: -121.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1571.156695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.156695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.156695 (E_RNA)
where:
Base-Base interactions energy: -1076.124
where: short stacking energy: -459.993
Base-Backbone interact. energy: -1.962
local terms energy: -493.071181
where:
bonds (distance) C4'-P energy: -78.890
bonds (distance) P-C4' energy: -99.046
flat angles C4'-P-C4' energy: -113.601
flat angles P-C4'-P energy: -74.891
tors. eta vs tors. theta energy: -126.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1477.752559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.752559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.752559 (E_RNA)
where:
Base-Base interactions energy: -1014.785
where: short stacking energy: -400.409
Base-Backbone interact. energy: -2.356
local terms energy: -460.612139
where:
bonds (distance) C4'-P energy: -93.987
bonds (distance) P-C4' energy: -108.407
flat angles C4'-P-C4' energy: -103.063
flat angles P-C4'-P energy: -58.870
tors. eta vs tors. theta energy: -96.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1421.555904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.555904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.555904 (E_RNA)
where:
Base-Base interactions energy: -947.353
where: short stacking energy: -397.312
Base-Backbone interact. energy: -2.517
local terms energy: -471.685877
where:
bonds (distance) C4'-P energy: -81.343
bonds (distance) P-C4' energy: -106.754
flat angles C4'-P-C4' energy: -111.978
flat angles P-C4'-P energy: -65.470
tors. eta vs tors. theta energy: -106.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1230.270953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.270953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.270953 (E_RNA)
where:
Base-Base interactions energy: -817.350
where: short stacking energy: -358.277
Base-Backbone interact. energy: 0.105
local terms energy: -413.025614
where:
bonds (distance) C4'-P energy: -77.401
bonds (distance) P-C4' energy: -101.396
flat angles C4'-P-C4' energy: -89.517
flat angles P-C4'-P energy: -64.402
tors. eta vs tors. theta energy: -80.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -983.475677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.475677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.475677 (E_RNA)
where:
Base-Base interactions energy: -622.814
where: short stacking energy: -272.358
Base-Backbone interact. energy: -0.651
local terms energy: -360.010589
where:
bonds (distance) C4'-P energy: -92.095
bonds (distance) P-C4' energy: -87.416
flat angles C4'-P-C4' energy: -89.983
flat angles P-C4'-P energy: -53.637
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: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -641.537753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.537753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.537753 (E_RNA)
where:
Base-Base interactions energy: -328.436
where: short stacking energy: -189.774
Base-Backbone interact. energy: 6.958
local terms energy: -320.059639
where:
bonds (distance) C4'-P energy: -92.382
bonds (distance) P-C4' energy: -95.837
flat angles C4'-P-C4' energy: -73.491
flat angles P-C4'-P energy: -45.413
tors. eta vs tors. theta energy: -12.936
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: 105
Temperature: 0.900000
Total energy: -1910.014665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.014665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.014665 (E_RNA)
where:
Base-Base interactions energy: -1321.948
where: short stacking energy: -537.667
Base-Backbone interact. energy: -2.716
local terms energy: -585.350451
where:
bonds (distance) C4'-P energy: -107.045
bonds (distance) P-C4' energy: -118.882
flat angles C4'-P-C4' energy: -119.278
flat angles P-C4'-P energy: -80.417
tors. eta vs tors. theta energy: -159.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1774.742017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.742017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.742017 (E_RNA)
where:
Base-Base interactions energy: -1221.666
where: short stacking energy: -496.582
Base-Backbone interact. energy: -2.411
local terms energy: -550.665144
where:
bonds (distance) C4'-P energy: -115.342
bonds (distance) P-C4' energy: -102.733
flat angles C4'-P-C4' energy: -115.415
flat angles P-C4'-P energy: -72.411
tors. eta vs tors. theta energy: -144.764
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: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1660.089754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.089754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.089754 (E_RNA)
where:
Base-Base interactions energy: -1151.718
where: short stacking energy: -523.537
Base-Backbone interact. energy: -1.487
local terms energy: -506.884262
where:
bonds (distance) C4'-P energy: -100.932
bonds (distance) P-C4' energy: -96.242
flat angles C4'-P-C4' energy: -104.985
flat angles P-C4'-P energy: -64.124
tors. eta vs tors. theta energy: -140.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1671.487388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.487388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.487388 (E_RNA)
where:
Base-Base interactions energy: -1156.261
where: short stacking energy: -492.159
Base-Backbone interact. energy: -1.499
local terms energy: -513.727954
where:
bonds (distance) C4'-P energy: -89.486
bonds (distance) P-C4' energy: -98.997
flat angles C4'-P-C4' energy: -115.932
flat angles P-C4'-P energy: -65.417
tors. eta vs tors. theta energy: -143.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1615.594747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.594747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.594747 (E_RNA)
where:
Base-Base interactions energy: -1096.072
where: short stacking energy: -454.852
Base-Backbone interact. energy: -1.162
local terms energy: -518.361033
where:
bonds (distance) C4'-P energy: -100.319
bonds (distance) P-C4' energy: -104.188
flat angles C4'-P-C4' energy: -119.194
flat angles P-C4'-P energy: -68.882
tors. eta vs tors. theta energy: -125.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1440.695615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.695615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.695615 (E_RNA)
where:
Base-Base interactions energy: -968.037
where: short stacking energy: -373.803
Base-Backbone interact. energy: -2.128
local terms energy: -470.531245
where:
bonds (distance) C4'-P energy: -105.929
bonds (distance) P-C4' energy: -104.354
flat angles C4'-P-C4' energy: -95.378
flat angles P-C4'-P energy: -64.140
tors. eta vs tors. theta energy: -100.731
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: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1409.621684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.621684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.621684 (E_RNA)
where:
Base-Base interactions energy: -956.647
where: short stacking energy: -378.850
Base-Backbone interact. energy: 1.669
local terms energy: -454.644133
where:
bonds (distance) C4'-P energy: -102.240
bonds (distance) P-C4' energy: -103.700
flat angles C4'-P-C4' energy: -89.895
flat angles P-C4'-P energy: -60.589
tors. eta vs tors. theta energy: -98.220
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: 105
Temperature: 1.250000
Total energy: -1189.751284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.751284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.751284 (E_RNA)
where:
Base-Base interactions energy: -784.100
where: short stacking energy: -349.203
Base-Backbone interact. energy: 0.515
local terms energy: -406.165584
where:
bonds (distance) C4'-P energy: -92.133
bonds (distance) P-C4' energy: -90.868
flat angles C4'-P-C4' energy: -99.735
flat angles P-C4'-P energy: -44.500
tors. eta vs tors. theta energy: -78.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1057.023125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.023125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.023125 (E_RNA)
where:
Base-Base interactions energy: -684.452
where: short stacking energy: -303.502
Base-Backbone interact. energy: 0.647
local terms energy: -373.218548
where:
bonds (distance) C4'-P energy: -93.543
bonds (distance) P-C4' energy: -99.978
flat angles C4'-P-C4' energy: -80.466
flat angles P-C4'-P energy: -39.861
tors. eta vs tors. theta energy: -59.370
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: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -644.605277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.605277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.605277 (E_RNA)
where:
Base-Base interactions energy: -361.748
where: short stacking energy: -186.409
Base-Backbone interact. energy: 0.034
local terms energy: -282.891174
where:
bonds (distance) C4'-P energy: -79.782
bonds (distance) P-C4' energy: -81.150
flat angles C4'-P-C4' energy: -77.371
flat angles P-C4'-P energy: -43.569
tors. eta vs tors. theta energy: -1.019
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: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1904.133484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.133484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.133484 (E_RNA)
where:
Base-Base interactions energy: -1326.141
where: short stacking energy: -550.163
Base-Backbone interact. energy: -4.430
local terms energy: -573.562085
where:
bonds (distance) C4'-P energy: -95.272
bonds (distance) P-C4' energy: -111.582
flat angles C4'-P-C4' energy: -125.544
flat angles P-C4'-P energy: -82.043
tors. eta vs tors. theta energy: -159.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1782.131624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.131624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.131624 (E_RNA)
where:
Base-Base interactions energy: -1216.001
where: short stacking energy: -499.877
Base-Backbone interact. energy: 4.031
local terms energy: -570.161550
where:
bonds (distance) C4'-P energy: -99.570
bonds (distance) P-C4' energy: -106.638
flat angles C4'-P-C4' energy: -127.991
flat angles P-C4'-P energy: -79.001
tors. eta vs tors. theta energy: -156.962
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: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1682.293968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.293968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.293968 (E_RNA)
where:
Base-Base interactions energy: -1145.957
where: short stacking energy: -487.750
Base-Backbone interact. energy: -2.635
local terms energy: -533.702361
where:
bonds (distance) C4'-P energy: -108.343
bonds (distance) P-C4' energy: -98.077
flat angles C4'-P-C4' energy: -119.085
flat angles P-C4'-P energy: -69.469
tors. eta vs tors. theta energy: -138.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1645.013930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.013930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.013930 (E_RNA)
where:
Base-Base interactions energy: -1136.138
where: short stacking energy: -478.029
Base-Backbone interact. energy: 5.751
local terms energy: -514.626772
where:
bonds (distance) C4'-P energy: -95.846
bonds (distance) P-C4' energy: -108.648
flat angles C4'-P-C4' energy: -101.667
flat angles P-C4'-P energy: -69.184
tors. eta vs tors. theta energy: -139.281
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: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1557.958137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.958137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.958137 (E_RNA)
where:
Base-Base interactions energy: -1082.454
where: short stacking energy: -448.732
Base-Backbone interact. energy: 1.429
local terms energy: -476.932396
where:
bonds (distance) C4'-P energy: -90.366
bonds (distance) P-C4' energy: -94.495
flat angles C4'-P-C4' energy: -92.598
flat angles P-C4'-P energy: -75.422
tors. eta vs tors. theta energy: -124.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1461.937964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.937964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.937964 (E_RNA)
where:
Base-Base interactions energy: -1000.731
where: short stacking energy: -415.041
Base-Backbone interact. energy: -3.489
local terms energy: -457.718465
where:
bonds (distance) C4'-P energy: -92.880
bonds (distance) P-C4' energy: -94.019
flat angles C4'-P-C4' energy: -101.710
flat angles P-C4'-P energy: -63.478
tors. eta vs tors. theta energy: -105.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1380.895625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.895625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.895625 (E_RNA)
where:
Base-Base interactions energy: -941.383
where: short stacking energy: -394.207
Base-Backbone interact. energy: -4.058
local terms energy: -435.454614
where:
bonds (distance) C4'-P energy: -81.730
bonds (distance) P-C4' energy: -83.013
flat angles C4'-P-C4' energy: -107.259
flat angles P-C4'-P energy: -64.277
tors. eta vs tors. theta energy: -99.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1196.889048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.889048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.889048 (E_RNA)
where:
Base-Base interactions energy: -781.000
where: short stacking energy: -352.784
Base-Backbone interact. energy: -1.706
local terms energy: -414.183537
where:
bonds (distance) C4'-P energy: -91.139
bonds (distance) P-C4' energy: -86.817
flat angles C4'-P-C4' energy: -100.987
flat angles P-C4'-P energy: -64.684
tors. eta vs tors. theta energy: -70.556
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: 106
Temperature: 1.300000
Total energy: -1017.717391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.717391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.717391 (E_RNA)
where:
Base-Base interactions energy: -669.391
where: short stacking energy: -290.329
Base-Backbone interact. energy: -0.519
local terms energy: -347.807294
where:
bonds (distance) C4'-P energy: -84.050
bonds (distance) P-C4' energy: -98.756
flat angles C4'-P-C4' energy: -68.739
flat angles P-C4'-P energy: -52.883
tors. eta vs tors. theta energy: -43.379
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: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -670.614922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.614922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.614922 (E_RNA)
where:
Base-Base interactions energy: -343.316
where: short stacking energy: -187.074
Base-Backbone interact. energy: -2.267
local terms energy: -325.031448
where:
bonds (distance) C4'-P energy: -98.948
bonds (distance) P-C4' energy: -92.811
flat angles C4'-P-C4' energy: -71.979
flat angles P-C4'-P energy: -53.683
tors. eta vs tors. theta energy: -7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1882.562333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.562333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.562333 (E_RNA)
where:
Base-Base interactions energy: -1293.166
where: short stacking energy: -533.619
Base-Backbone interact. energy: -2.984
local terms energy: -586.411904
where:
bonds (distance) C4'-P energy: -108.096
bonds (distance) P-C4' energy: -103.912
flat angles C4'-P-C4' energy: -122.995
flat angles P-C4'-P energy: -85.513
tors. eta vs tors. theta energy: -165.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1771.900443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.900443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.900443 (E_RNA)
where:
Base-Base interactions energy: -1221.139
where: short stacking energy: -511.508
Base-Backbone interact. energy: 0.897
local terms energy: -551.659151
where:
bonds (distance) C4'-P energy: -98.875
bonds (distance) P-C4' energy: -113.987
flat angles C4'-P-C4' energy: -117.079
flat angles P-C4'-P energy: -72.028
tors. eta vs tors. theta energy: -149.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1694.137335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.137335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.137335 (E_RNA)
where:
Base-Base interactions energy: -1159.586
where: short stacking energy: -496.918
Base-Backbone interact. energy: 2.604
local terms energy: -537.155304
where:
bonds (distance) C4'-P energy: -102.063
bonds (distance) P-C4' energy: -104.316
flat angles C4'-P-C4' energy: -103.986
flat angles P-C4'-P energy: -81.369
tors. eta vs tors. theta energy: -145.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1639.825283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.825283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.825283 (E_RNA)
where:
Base-Base interactions energy: -1112.812
where: short stacking energy: -470.680
Base-Backbone interact. energy: -3.938
local terms energy: -523.075441
where:
bonds (distance) C4'-P energy: -106.474
bonds (distance) P-C4' energy: -102.357
flat angles C4'-P-C4' energy: -118.159
flat angles P-C4'-P energy: -72.398
tors. eta vs tors. theta energy: -123.688
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: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1544.009608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.009608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.009608 (E_RNA)
where:
Base-Base interactions energy: -1048.508
where: short stacking energy: -438.273
Base-Backbone interact. energy: -1.375
local terms energy: -494.126239
where:
bonds (distance) C4'-P energy: -101.444
bonds (distance) P-C4' energy: -93.605
flat angles C4'-P-C4' energy: -95.647
flat angles P-C4'-P energy: -79.650
tors. eta vs tors. theta energy: -123.780
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: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1507.969666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.969666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.969666 (E_RNA)
where:
Base-Base interactions energy: -1037.802
where: short stacking energy: -413.752
Base-Backbone interact. energy: -1.716
local terms energy: -468.452105
where:
bonds (distance) C4'-P energy: -89.638
bonds (distance) P-C4' energy: -98.742
flat angles C4'-P-C4' energy: -95.654
flat angles P-C4'-P energy: -67.490
tors. eta vs tors. theta energy: -116.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1386.690872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.690872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.690872 (E_RNA)
where:
Base-Base interactions energy: -953.290
where: short stacking energy: -378.430
Base-Backbone interact. energy: 0.855
local terms energy: -434.255799
where:
bonds (distance) C4'-P energy: -79.065
bonds (distance) P-C4' energy: -89.270
flat angles C4'-P-C4' energy: -107.674
flat angles P-C4'-P energy: -60.336
tors. eta vs tors. theta energy: -97.910
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: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1181.587061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.587061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.587061 (E_RNA)
where:
Base-Base interactions energy: -790.718
where: short stacking energy: -330.580
Base-Backbone interact. energy: 0.728
local terms energy: -391.597957
where:
bonds (distance) C4'-P energy: -78.693
bonds (distance) P-C4' energy: -96.737
flat angles C4'-P-C4' energy: -91.340
flat angles P-C4'-P energy: -58.745
tors. eta vs tors. theta energy: -66.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1028.418582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.418582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.418582 (E_RNA)
where:
Base-Base interactions energy: -672.532
where: short stacking energy: -291.569
Base-Backbone interact. energy: -1.454
local terms energy: -354.432669
where:
bonds (distance) C4'-P energy: -72.146
bonds (distance) P-C4' energy: -92.226
flat angles C4'-P-C4' energy: -79.805
flat angles P-C4'-P energy: -52.456
tors. eta vs tors. theta energy: -57.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -696.019968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.019968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.019968 (E_RNA)
where:
Base-Base interactions energy: -394.814
where: short stacking energy: -197.979
Base-Backbone interact. energy: 1.034
local terms energy: -302.239973
where:
bonds (distance) C4'-P energy: -86.229
bonds (distance) P-C4' energy: -88.014
flat angles C4'-P-C4' energy: -66.530
flat angles P-C4'-P energy: -45.546
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1876.383227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.383227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.383227 (E_RNA)
where:
Base-Base interactions energy: -1307.137
where: short stacking energy: -518.215
Base-Backbone interact. energy: -1.413
local terms energy: -567.832547
where:
bonds (distance) C4'-P energy: -111.253
bonds (distance) P-C4' energy: -109.773
flat angles C4'-P-C4' energy: -118.824
flat angles P-C4'-P energy: -75.767
tors. eta vs tors. theta energy: -152.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1775.378285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.378285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.378285 (E_RNA)
where:
Base-Base interactions energy: -1224.279
where: short stacking energy: -544.384
Base-Backbone interact. energy: -1.535
local terms energy: -549.564947
where:
bonds (distance) C4'-P energy: -94.941
bonds (distance) P-C4' energy: -96.757
flat angles C4'-P-C4' energy: -116.387
flat angles P-C4'-P energy: -89.025
tors. eta vs tors. theta energy: -152.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1698.894994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.894994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.894994 (E_RNA)
where:
Base-Base interactions energy: -1179.642
where: short stacking energy: -541.126
Base-Backbone interact. energy: -1.228
local terms energy: -518.024282
where:
bonds (distance) C4'-P energy: -92.617
bonds (distance) P-C4' energy: -100.302
flat angles C4'-P-C4' energy: -111.675
flat angles P-C4'-P energy: -69.662
tors. eta vs tors. theta energy: -143.768
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: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1621.215068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.215068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.215068 (E_RNA)
where:
Base-Base interactions energy: -1119.279
where: short stacking energy: -486.834
Base-Backbone interact. energy: -2.380
local terms energy: -499.555947
where:
bonds (distance) C4'-P energy: -96.897
bonds (distance) P-C4' energy: -95.373
flat angles C4'-P-C4' energy: -112.106
flat angles P-C4'-P energy: -64.100
tors. eta vs tors. theta energy: -131.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1552.711354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.711354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.711354 (E_RNA)
where:
Base-Base interactions energy: -1068.138
where: short stacking energy: -463.243
Base-Backbone interact. energy: -0.594
local terms energy: -483.979604
where:
bonds (distance) C4'-P energy: -104.675
bonds (distance) P-C4' energy: -97.570
flat angles C4'-P-C4' energy: -105.258
flat angles P-C4'-P energy: -73.175
tors. eta vs tors. theta energy: -103.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1585.652238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.652238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.652238 (E_RNA)
where:
Base-Base interactions energy: -1090.183
where: short stacking energy: -443.925
Base-Backbone interact. energy: -1.686
local terms energy: -493.782904
where:
bonds (distance) C4'-P energy: -96.318
bonds (distance) P-C4' energy: -95.838
flat angles C4'-P-C4' energy: -112.465
flat angles P-C4'-P energy: -71.495
tors. eta vs tors. theta energy: -117.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1434.106639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.106639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.106639 (E_RNA)
where:
Base-Base interactions energy: -971.318
where: short stacking energy: -384.648
Base-Backbone interact. energy: -4.853
local terms energy: -457.936233
where:
bonds (distance) C4'-P energy: -84.910
bonds (distance) P-C4' energy: -107.967
flat angles C4'-P-C4' energy: -104.768
flat angles P-C4'-P energy: -56.319
tors. eta vs tors. theta energy: -103.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1225.480829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.480829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.480829 (E_RNA)
where:
Base-Base interactions energy: -849.451
where: short stacking energy: -372.917
Base-Backbone interact. energy: 7.459
local terms energy: -383.488638
where:
bonds (distance) C4'-P energy: -89.655
bonds (distance) P-C4' energy: -86.419
flat angles C4'-P-C4' energy: -80.986
flat angles P-C4'-P energy: -55.233
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: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1093.378540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.378540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.378540 (E_RNA)
where:
Base-Base interactions energy: -693.221
where: short stacking energy: -305.776
Base-Backbone interact. energy: -1.833
local terms energy: -398.324444
where:
bonds (distance) C4'-P energy: -87.630
bonds (distance) P-C4' energy: -102.591
flat angles C4'-P-C4' energy: -85.344
flat angles P-C4'-P energy: -57.498
tors. eta vs tors. theta energy: -65.262
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: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -682.278518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.278518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.278518 (E_RNA)
where:
Base-Base interactions energy: -359.499
where: short stacking energy: -199.097
Base-Backbone interact. energy: 3.443
local terms energy: -326.222686
where:
bonds (distance) C4'-P energy: -90.125
bonds (distance) P-C4' energy: -95.447
flat angles C4'-P-C4' energy: -80.297
flat angles P-C4'-P energy: -41.038
tors. eta vs tors. theta energy: -19.315
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: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1863.842394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.842394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.842394 (E_RNA)
where:
Base-Base interactions energy: -1278.209
where: short stacking energy: -535.142
Base-Backbone interact. energy: -4.134
local terms energy: -581.499644
where:
bonds (distance) C4'-P energy: -110.573
bonds (distance) P-C4' energy: -103.946
flat angles C4'-P-C4' energy: -130.473
flat angles P-C4'-P energy: -83.534
tors. eta vs tors. theta energy: -152.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1785.068150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.068150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.068150 (E_RNA)
where:
Base-Base interactions energy: -1228.302
where: short stacking energy: -524.559
Base-Backbone interact. energy: -1.034
local terms energy: -555.731803
where:
bonds (distance) C4'-P energy: -105.196
bonds (distance) P-C4' energy: -109.980
flat angles C4'-P-C4' energy: -102.176
flat angles P-C4'-P energy: -83.182
tors. eta vs tors. theta energy: -155.197
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: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1705.529491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.529491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.529491 (E_RNA)
where:
Base-Base interactions energy: -1144.313
where: short stacking energy: -501.567
Base-Backbone interact. energy: 1.965
local terms energy: -563.181194
where:
bonds (distance) C4'-P energy: -92.485
bonds (distance) P-C4' energy: -117.738
flat angles C4'-P-C4' energy: -120.702
flat angles P-C4'-P energy: -84.246
tors. eta vs tors. theta energy: -148.010
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: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1637.969934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.969934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.969934 (E_RNA)
where:
Base-Base interactions energy: -1112.266
where: short stacking energy: -472.001
Base-Backbone interact. energy: -0.517
local terms energy: -525.187431
where:
bonds (distance) C4'-P energy: -100.912
bonds (distance) P-C4' energy: -105.857
flat angles C4'-P-C4' energy: -107.572
flat angles P-C4'-P energy: -75.152
tors. eta vs tors. theta energy: -135.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1474.292226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.292226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.292226 (E_RNA)
where:
Base-Base interactions energy: -1031.079
where: short stacking energy: -419.605
Base-Backbone interact. energy: 1.260
local terms energy: -444.473671
where:
bonds (distance) C4'-P energy: -72.388
bonds (distance) P-C4' energy: -103.296
flat angles C4'-P-C4' energy: -93.884
flat angles P-C4'-P energy: -69.295
tors. eta vs tors. theta energy: -105.611
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: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1523.265748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.265748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.265748 (E_RNA)
where:
Base-Base interactions energy: -1020.806
where: short stacking energy: -434.419
Base-Backbone interact. energy: -3.605
local terms energy: -498.854763
where:
bonds (distance) C4'-P energy: -99.632
bonds (distance) P-C4' energy: -92.203
flat angles C4'-P-C4' energy: -114.669
flat angles P-C4'-P energy: -71.170
tors. eta vs tors. theta energy: -121.181
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: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1409.193322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.193322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.193322 (E_RNA)
where:
Base-Base interactions energy: -952.639
where: short stacking energy: -375.302
Base-Backbone interact. energy: -2.141
local terms energy: -454.413543
where:
bonds (distance) C4'-P energy: -92.324
bonds (distance) P-C4' energy: -113.608
flat angles C4'-P-C4' energy: -103.948
flat angles P-C4'-P energy: -55.540
tors. eta vs tors. theta energy: -88.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1148.787678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.787678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.787678 (E_RNA)
where:
Base-Base interactions energy: -754.092
where: short stacking energy: -349.827
Base-Backbone interact. energy: -1.850
local terms energy: -392.846151
where:
bonds (distance) C4'-P energy: -83.128
bonds (distance) P-C4' energy: -84.682
flat angles C4'-P-C4' energy: -90.652
flat angles P-C4'-P energy: -60.530
tors. eta vs tors. theta energy: -73.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1036.026140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.026140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.026140 (E_RNA)
where:
Base-Base interactions energy: -654.401
where: short stacking energy: -287.861
Base-Backbone interact. energy: 0.433
local terms energy: -382.058325
where:
bonds (distance) C4'-P energy: -85.422
bonds (distance) P-C4' energy: -109.066
flat angles C4'-P-C4' energy: -96.070
flat angles P-C4'-P energy: -49.716
tors. eta vs tors. theta energy: -41.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -685.635693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.635693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.635693 (E_RNA)
where:
Base-Base interactions energy: -381.241
where: short stacking energy: -205.236
Base-Backbone interact. energy: -1.300
local terms energy: -303.094805
where:
bonds (distance) C4'-P energy: -79.345
bonds (distance) P-C4' energy: -79.241
flat angles C4'-P-C4' energy: -87.534
flat angles P-C4'-P energy: -49.795
tors. eta vs tors. theta energy: -7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1858.769149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.769149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.769149 (E_RNA)
where:
Base-Base interactions energy: -1272.859
where: short stacking energy: -550.602
Base-Backbone interact. energy: -4.972
local terms energy: -580.937941
where:
bonds (distance) C4'-P energy: -115.728
bonds (distance) P-C4' energy: -107.112
flat angles C4'-P-C4' energy: -128.723
flat angles P-C4'-P energy: -69.149
tors. eta vs tors. theta energy: -160.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1775.376452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.376452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.376452 (E_RNA)
where:
Base-Base interactions energy: -1231.492
where: short stacking energy: -503.184
Base-Backbone interact. energy: -3.842
local terms energy: -540.042088
where:
bonds (distance) C4'-P energy: -103.964
bonds (distance) P-C4' energy: -112.410
flat angles C4'-P-C4' energy: -114.534
flat angles P-C4'-P energy: -63.635
tors. eta vs tors. theta energy: -145.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1727.075858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.075858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.075858 (E_RNA)
where:
Base-Base interactions energy: -1160.207
where: short stacking energy: -525.235
Base-Backbone interact. energy: -2.766
local terms energy: -564.102633
where:
bonds (distance) C4'-P energy: -102.960
bonds (distance) P-C4' energy: -104.703
flat angles C4'-P-C4' energy: -118.432
flat angles P-C4'-P energy: -82.422
tors. eta vs tors. theta energy: -155.585
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: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1651.030286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.030286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.030286 (E_RNA)
where:
Base-Base interactions energy: -1136.275
where: short stacking energy: -460.296
Base-Backbone interact. energy: -0.686
local terms energy: -514.069205
where:
bonds (distance) C4'-P energy: -95.128
bonds (distance) P-C4' energy: -103.050
flat angles C4'-P-C4' energy: -122.006
flat angles P-C4'-P energy: -67.556
tors. eta vs tors. theta energy: -126.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1598.928679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.928679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.928679 (E_RNA)
where:
Base-Base interactions energy: -1116.993
where: short stacking energy: -482.209
Base-Backbone interact. energy: -2.543
local terms energy: -479.393623
where:
bonds (distance) C4'-P energy: -80.299
bonds (distance) P-C4' energy: -110.785
flat angles C4'-P-C4' energy: -101.091
flat angles P-C4'-P energy: -63.226
tors. eta vs tors. theta energy: -123.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1461.530699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.530699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.530699 (E_RNA)
where:
Base-Base interactions energy: -1010.621
where: short stacking energy: -426.072
Base-Backbone interact. energy: 2.027
local terms energy: -452.936856
where:
bonds (distance) C4'-P energy: -86.583
bonds (distance) P-C4' energy: -109.564
flat angles C4'-P-C4' energy: -98.607
flat angles P-C4'-P energy: -56.491
tors. eta vs tors. theta energy: -101.692
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: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1373.252875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.252875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.252875 (E_RNA)
where:
Base-Base interactions energy: -909.790
where: short stacking energy: -391.795
Base-Backbone interact. energy: -1.920
local terms energy: -461.542793
where:
bonds (distance) C4'-P energy: -98.931
bonds (distance) P-C4' energy: -101.164
flat angles C4'-P-C4' energy: -108.903
flat angles P-C4'-P energy: -49.384
tors. eta vs tors. theta energy: -103.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1228.206276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.206276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.206276 (E_RNA)
where:
Base-Base interactions energy: -822.465
where: short stacking energy: -331.960
Base-Backbone interact. energy: 7.845
local terms energy: -413.586315
where:
bonds (distance) C4'-P energy: -89.426
bonds (distance) P-C4' energy: -99.626
flat angles C4'-P-C4' energy: -93.645
flat angles P-C4'-P energy: -57.502
tors. eta vs tors. theta energy: -73.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -959.302783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.302783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.302783 (E_RNA)
where:
Base-Base interactions energy: -591.985
where: short stacking energy: -277.745
Base-Backbone interact. energy: 2.234
local terms energy: -369.550942
where:
bonds (distance) C4'-P energy: -88.330
bonds (distance) P-C4' energy: -93.204
flat angles C4'-P-C4' energy: -95.582
flat angles P-C4'-P energy: -53.075
tors. eta vs tors. theta energy: -39.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -674.724738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.724738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.724738 (E_RNA)
where:
Base-Base interactions energy: -341.340
where: short stacking energy: -208.058
Base-Backbone interact. energy: 1.246
local terms energy: -334.630426
where:
bonds (distance) C4'-P energy: -81.633
bonds (distance) P-C4' energy: -99.646
flat angles C4'-P-C4' energy: -79.006
flat angles P-C4'-P energy: -49.426
tors. eta vs tors. theta energy: -24.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1867.388445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.388445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.388445 (E_RNA)
where:
Base-Base interactions energy: -1299.186
where: short stacking energy: -548.391
Base-Backbone interact. energy: -3.641
local terms energy: -564.561991
where:
bonds (distance) C4'-P energy: -94.930
bonds (distance) P-C4' energy: -99.983
flat angles C4'-P-C4' energy: -126.862
flat angles P-C4'-P energy: -93.696
tors. eta vs tors. theta energy: -149.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1757.590999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.590999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.590999 (E_RNA)
where:
Base-Base interactions energy: -1202.915
where: short stacking energy: -524.247
Base-Backbone interact. energy: -1.211
local terms energy: -553.464759
where:
bonds (distance) C4'-P energy: -110.106
bonds (distance) P-C4' energy: -106.585
flat angles C4'-P-C4' energy: -108.647
flat angles P-C4'-P energy: -77.235
tors. eta vs tors. theta energy: -150.891
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: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1731.779794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.779794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.779794 (E_RNA)
where:
Base-Base interactions energy: -1170.963
where: short stacking energy: -508.555
Base-Backbone interact. energy: -1.859
local terms energy: -558.958117
where:
bonds (distance) C4'-P energy: -91.714
bonds (distance) P-C4' energy: -109.040
flat angles C4'-P-C4' energy: -118.070
flat angles P-C4'-P energy: -85.975
tors. eta vs tors. theta energy: -154.159
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: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1604.297008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.297008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.297008 (E_RNA)
where:
Base-Base interactions energy: -1103.728
where: short stacking energy: -466.803
Base-Backbone interact. energy: -3.301
local terms energy: -497.267654
where:
bonds (distance) C4'-P energy: -111.439
bonds (distance) P-C4' energy: -91.232
flat angles C4'-P-C4' energy: -95.365
flat angles P-C4'-P energy: -68.228
tors. eta vs tors. theta energy: -131.004
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: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1631.353859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.353859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.353859 (E_RNA)
where:
Base-Base interactions energy: -1136.473
where: short stacking energy: -462.956
Base-Backbone interact. energy: 5.627
local terms energy: -500.508107
where:
bonds (distance) C4'-P energy: -105.790
bonds (distance) P-C4' energy: -97.609
flat angles C4'-P-C4' energy: -116.024
flat angles P-C4'-P energy: -60.069
tors. eta vs tors. theta energy: -121.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1449.892892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.892892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.892892 (E_RNA)
where:
Base-Base interactions energy: -985.636
where: short stacking energy: -390.256
Base-Backbone interact. energy: -2.083
local terms energy: -462.173037
where:
bonds (distance) C4'-P energy: -97.149
bonds (distance) P-C4' energy: -90.188
flat angles C4'-P-C4' energy: -95.389
flat angles P-C4'-P energy: -70.168
tors. eta vs tors. theta energy: -109.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1420.068491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.068491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.068491 (E_RNA)
where:
Base-Base interactions energy: -955.355
where: short stacking energy: -404.379
Base-Backbone interact. energy: 2.647
local terms energy: -467.361430
where:
bonds (distance) C4'-P energy: -87.008
bonds (distance) P-C4' energy: -103.135
flat angles C4'-P-C4' energy: -109.228
flat angles P-C4'-P energy: -73.703
tors. eta vs tors. theta energy: -94.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1215.784787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.784787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.784787 (E_RNA)
where:
Base-Base interactions energy: -811.627
where: short stacking energy: -353.859
Base-Backbone interact. energy: -2.610
local terms energy: -401.547863
where:
bonds (distance) C4'-P energy: -85.705
bonds (distance) P-C4' energy: -93.508
flat angles C4'-P-C4' energy: -82.522
flat angles P-C4'-P energy: -53.551
tors. eta vs tors. theta energy: -86.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -970.058887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.058887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.058887 (E_RNA)
where:
Base-Base interactions energy: -618.072
where: short stacking energy: -261.065
Base-Backbone interact. energy: -1.486
local terms energy: -350.501082
where:
bonds (distance) C4'-P energy: -82.362
bonds (distance) P-C4' energy: -97.211
flat angles C4'-P-C4' energy: -95.231
flat angles P-C4'-P energy: -41.552
tors. eta vs tors. theta energy: -34.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -692.587484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.587484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.587484 (E_RNA)
where:
Base-Base interactions energy: -379.145
where: short stacking energy: -197.995
Base-Backbone interact. energy: 0.066
local terms energy: -313.508602
where:
bonds (distance) C4'-P energy: -77.411
bonds (distance) P-C4' energy: -86.179
flat angles C4'-P-C4' energy: -89.407
flat angles P-C4'-P energy: -33.144
tors. eta vs tors. theta energy: -27.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1847.098640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.098640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.098640 (E_RNA)
where:
Base-Base interactions energy: -1286.445
where: short stacking energy: -529.145
Base-Backbone interact. energy: -3.630
local terms energy: -557.023917
where:
bonds (distance) C4'-P energy: -102.598
bonds (distance) P-C4' energy: -103.848
flat angles C4'-P-C4' energy: -117.023
flat angles P-C4'-P energy: -83.828
tors. eta vs tors. theta energy: -149.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1768.136994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.136994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.136994 (E_RNA)
where:
Base-Base interactions energy: -1219.383
where: short stacking energy: -506.832
Base-Backbone interact. energy: -3.054
local terms energy: -545.700054
where:
bonds (distance) C4'-P energy: -99.007
bonds (distance) P-C4' energy: -110.076
flat angles C4'-P-C4' energy: -117.019
flat angles P-C4'-P energy: -77.842
tors. eta vs tors. theta energy: -141.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1714.725574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.725574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.725574 (E_RNA)
where:
Base-Base interactions energy: -1168.923
where: short stacking energy: -519.628
Base-Backbone interact. energy: -0.309
local terms energy: -545.494052
where:
bonds (distance) C4'-P energy: -100.660
bonds (distance) P-C4' energy: -101.599
flat angles C4'-P-C4' energy: -111.893
flat angles P-C4'-P energy: -86.031
tors. eta vs tors. theta energy: -145.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1647.620355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.620355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.620355 (E_RNA)
where:
Base-Base interactions energy: -1125.060
where: short stacking energy: -497.071
Base-Backbone interact. energy: -0.523
local terms energy: -522.037624
where:
bonds (distance) C4'-P energy: -96.238
bonds (distance) P-C4' energy: -97.652
flat angles C4'-P-C4' energy: -115.380
flat angles P-C4'-P energy: -72.363
tors. eta vs tors. theta energy: -140.405
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: 112
Temperature: 1.100000
Total energy: -1628.586852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.586852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.586852 (E_RNA)
where:
Base-Base interactions energy: -1123.148
where: short stacking energy: -466.829
Base-Backbone interact. energy: -1.334
local terms energy: -504.104646
where:
bonds (distance) C4'-P energy: -100.717
bonds (distance) P-C4' energy: -94.186
flat angles C4'-P-C4' energy: -109.356
flat angles P-C4'-P energy: -80.835
tors. eta vs tors. theta energy: -119.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1475.098366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.098366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.098366 (E_RNA)
where:
Base-Base interactions energy: -1028.214
where: short stacking energy: -442.886
Base-Backbone interact. energy: 1.331
local terms energy: -448.215593
where:
bonds (distance) C4'-P energy: -81.561
bonds (distance) P-C4' energy: -99.406
flat angles C4'-P-C4' energy: -106.301
flat angles P-C4'-P energy: -52.278
tors. eta vs tors. theta energy: -108.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1417.938883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.938883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.938883 (E_RNA)
where:
Base-Base interactions energy: -963.242
where: short stacking energy: -388.000
Base-Backbone interact. energy: -2.536
local terms energy: -452.160647
where:
bonds (distance) C4'-P energy: -94.840
bonds (distance) P-C4' energy: -88.843
flat angles C4'-P-C4' energy: -108.316
flat angles P-C4'-P energy: -68.651
tors. eta vs tors. theta energy: -91.512
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: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1202.474216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.474216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.474216 (E_RNA)
where:
Base-Base interactions energy: -788.740
where: short stacking energy: -350.305
Base-Backbone interact. energy: 0.710
local terms energy: -414.444486
where:
bonds (distance) C4'-P energy: -100.559
bonds (distance) P-C4' energy: -93.435
flat angles C4'-P-C4' energy: -86.070
flat angles P-C4'-P energy: -59.329
tors. eta vs tors. theta energy: -75.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -927.096383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.096383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.096383 (E_RNA)
where:
Base-Base interactions energy: -568.723
where: short stacking energy: -255.894
Base-Backbone interact. energy: 3.168
local terms energy: -361.540882
where:
bonds (distance) C4'-P energy: -80.023
bonds (distance) P-C4' energy: -100.688
flat angles C4'-P-C4' energy: -86.167
flat angles P-C4'-P energy: -58.566
tors. eta vs tors. theta energy: -36.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -680.396670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.396670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.396670 (E_RNA)
where:
Base-Base interactions energy: -368.187
where: short stacking energy: -167.871
Base-Backbone interact. energy: -1.190
local terms energy: -311.019545
where:
bonds (distance) C4'-P energy: -92.276
bonds (distance) P-C4' energy: -89.891
flat angles C4'-P-C4' energy: -71.333
flat angles P-C4'-P energy: -50.948
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1876.548132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.548132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.548132 (E_RNA)
where:
Base-Base interactions energy: -1272.175
where: short stacking energy: -529.974
Base-Backbone interact. energy: -0.999
local terms energy: -603.373817
where:
bonds (distance) C4'-P energy: -112.869
bonds (distance) P-C4' energy: -119.706
flat angles C4'-P-C4' energy: -127.617
flat angles P-C4'-P energy: -89.332
tors. eta vs tors. theta energy: -153.849
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: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1780.091030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.091030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.091030 (E_RNA)
where:
Base-Base interactions energy: -1225.491
where: short stacking energy: -507.856
Base-Backbone interact. energy: -3.241
local terms energy: -551.359186
where:
bonds (distance) C4'-P energy: -115.868
bonds (distance) P-C4' energy: -105.500
flat angles C4'-P-C4' energy: -113.742
flat angles P-C4'-P energy: -75.122
tors. eta vs tors. theta energy: -141.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1738.141147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.141147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.141147 (E_RNA)
where:
Base-Base interactions energy: -1204.921
where: short stacking energy: -527.352
Base-Backbone interact. energy: -0.639
local terms energy: -532.580960
where:
bonds (distance) C4'-P energy: -90.952
bonds (distance) P-C4' energy: -101.365
flat angles C4'-P-C4' energy: -122.906
flat angles P-C4'-P energy: -78.323
tors. eta vs tors. theta energy: -139.035
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: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1668.067728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.067728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.067728 (E_RNA)
where:
Base-Base interactions energy: -1165.706
where: short stacking energy: -476.728
Base-Backbone interact. energy: 1.665
local terms energy: -504.026479
where:
bonds (distance) C4'-P energy: -103.066
bonds (distance) P-C4' energy: -97.292
flat angles C4'-P-C4' energy: -95.096
flat angles P-C4'-P energy: -80.296
tors. eta vs tors. theta energy: -128.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1664.667250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.667250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.667250 (E_RNA)
where:
Base-Base interactions energy: -1143.734
where: short stacking energy: -477.018
Base-Backbone interact. energy: -3.000
local terms energy: -517.932706
where:
bonds (distance) C4'-P energy: -108.751
bonds (distance) P-C4' energy: -96.843
flat angles C4'-P-C4' energy: -100.831
flat angles P-C4'-P energy: -71.942
tors. eta vs tors. theta energy: -139.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1494.781205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.781205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.781205 (E_RNA)
where:
Base-Base interactions energy: -1024.459
where: short stacking energy: -426.531
Base-Backbone interact. energy: 0.476
local terms energy: -470.798284
where:
bonds (distance) C4'-P energy: -91.924
bonds (distance) P-C4' energy: -102.680
flat angles C4'-P-C4' energy: -102.621
flat angles P-C4'-P energy: -62.443
tors. eta vs tors. theta energy: -111.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1433.597641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.597641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.597641 (E_RNA)
where:
Base-Base interactions energy: -1022.149
where: short stacking energy: -408.525
Base-Backbone interact. energy: -0.720
local terms energy: -410.729509
where:
bonds (distance) C4'-P energy: -74.111
bonds (distance) P-C4' energy: -93.508
flat angles C4'-P-C4' energy: -92.689
flat angles P-C4'-P energy: -55.869
tors. eta vs tors. theta energy: -94.553
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: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1202.413272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.413272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.413272 (E_RNA)
where:
Base-Base interactions energy: -768.774
where: short stacking energy: -349.629
Base-Backbone interact. energy: -0.140
local terms energy: -433.499465
where:
bonds (distance) C4'-P energy: -77.028
bonds (distance) P-C4' energy: -106.796
flat angles C4'-P-C4' energy: -96.719
flat angles P-C4'-P energy: -66.479
tors. eta vs tors. theta energy: -86.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -926.266573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.266573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.266573 (E_RNA)
where:
Base-Base interactions energy: -555.921
where: short stacking energy: -257.281
Base-Backbone interact. energy: -0.799
local terms energy: -369.546321
where:
bonds (distance) C4'-P energy: -86.247
bonds (distance) P-C4' energy: -93.863
flat angles C4'-P-C4' energy: -87.200
flat angles P-C4'-P energy: -53.777
tors. eta vs tors. theta energy: -48.459
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: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -664.200843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.200843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.200843 (E_RNA)
where:
Base-Base interactions energy: -366.349
where: short stacking energy: -192.229
Base-Backbone interact. energy: 1.527
local terms energy: -299.378782
where:
bonds (distance) C4'-P energy: -74.776
bonds (distance) P-C4' energy: -93.854
flat angles C4'-P-C4' energy: -81.442
flat angles P-C4'-P energy: -44.630
tors. eta vs tors. theta energy: -4.676
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: 114
Temperature: 0.900000
Total energy: -1865.247778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.247778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.247778 (E_RNA)
where:
Base-Base interactions energy: -1286.352
where: short stacking energy: -563.109
Base-Backbone interact. energy: -2.885
local terms energy: -576.010886
where:
bonds (distance) C4'-P energy: -111.275
bonds (distance) P-C4' energy: -101.633
flat angles C4'-P-C4' energy: -127.369
flat angles P-C4'-P energy: -78.070
tors. eta vs tors. theta energy: -157.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1751.209147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.209147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.209147 (E_RNA)
where:
Base-Base interactions energy: -1195.502
where: short stacking energy: -514.551
Base-Backbone interact. energy: -3.550
local terms energy: -552.157285
where:
bonds (distance) C4'-P energy: -103.061
bonds (distance) P-C4' energy: -99.058
flat angles C4'-P-C4' energy: -116.216
flat angles P-C4'-P energy: -83.118
tors. eta vs tors. theta energy: -150.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1668.457691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.457691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.457691 (E_RNA)
where:
Base-Base interactions energy: -1138.738
where: short stacking energy: -503.435
Base-Backbone interact. energy: 2.007
local terms energy: -531.727034
where:
bonds (distance) C4'-P energy: -105.063
bonds (distance) P-C4' energy: -98.667
flat angles C4'-P-C4' energy: -113.969
flat angles P-C4'-P energy: -73.202
tors. eta vs tors. theta energy: -140.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1663.409922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.409922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.409922 (E_RNA)
where:
Base-Base interactions energy: -1156.026
where: short stacking energy: -478.338
Base-Backbone interact. energy: 4.637
local terms energy: -512.020252
where:
bonds (distance) C4'-P energy: -89.318
bonds (distance) P-C4' energy: -114.702
flat angles C4'-P-C4' energy: -108.295
flat angles P-C4'-P energy: -65.826
tors. eta vs tors. theta energy: -133.879
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: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1608.912191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.912191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.912191 (E_RNA)
where:
Base-Base interactions energy: -1081.411
where: short stacking energy: -466.536
Base-Backbone interact. energy: -3.970
local terms energy: -523.530590
where:
bonds (distance) C4'-P energy: -102.086
bonds (distance) P-C4' energy: -99.353
flat angles C4'-P-C4' energy: -108.852
flat angles P-C4'-P energy: -84.137
tors. eta vs tors. theta energy: -129.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1469.905325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.905325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.905325 (E_RNA)
where:
Base-Base interactions energy: -980.146
where: short stacking energy: -431.754
Base-Backbone interact. energy: 1.563
local terms energy: -491.322310
where:
bonds (distance) C4'-P energy: -90.529
bonds (distance) P-C4' energy: -105.724
flat angles C4'-P-C4' energy: -90.724
flat angles P-C4'-P energy: -79.509
tors. eta vs tors. theta energy: -124.836
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: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1411.591916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.591916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.591916 (E_RNA)
where:
Base-Base interactions energy: -970.052
where: short stacking energy: -369.149
Base-Backbone interact. energy: 3.145
local terms energy: -444.684983
where:
bonds (distance) C4'-P energy: -98.031
bonds (distance) P-C4' energy: -89.888
flat angles C4'-P-C4' energy: -94.666
flat angles P-C4'-P energy: -56.681
tors. eta vs tors. theta energy: -105.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1235.801939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.801939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.801939 (E_RNA)
where:
Base-Base interactions energy: -804.462
where: short stacking energy: -345.615
Base-Backbone interact. energy: -2.766
local terms energy: -428.573100
where:
bonds (distance) C4'-P energy: -82.610
bonds (distance) P-C4' energy: -104.200
flat angles C4'-P-C4' energy: -96.679
flat angles P-C4'-P energy: -65.310
tors. eta vs tors. theta energy: -79.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -930.692708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.692708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.692708 (E_RNA)
where:
Base-Base interactions energy: -589.102
where: short stacking energy: -256.206
Base-Backbone interact. energy: 1.106
local terms energy: -342.696354
where:
bonds (distance) C4'-P energy: -88.107
bonds (distance) P-C4' energy: -91.542
flat angles C4'-P-C4' energy: -93.248
flat angles P-C4'-P energy: -37.260
tors. eta vs tors. theta energy: -32.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -708.683807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.683807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.683807 (E_RNA)
where:
Base-Base interactions energy: -393.506
where: short stacking energy: -191.995
Base-Backbone interact. energy: -1.086
local terms energy: -314.091407
where:
bonds (distance) C4'-P energy: -92.440
bonds (distance) P-C4' energy: -104.696
flat angles C4'-P-C4' energy: -56.249
flat angles P-C4'-P energy: -44.850
tors. eta vs tors. theta energy: -15.856
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: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1854.867401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.867401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.867401 (E_RNA)
where:
Base-Base interactions energy: -1245.966
where: short stacking energy: -532.716
Base-Backbone interact. energy: -1.647
local terms energy: -607.254823
where:
bonds (distance) C4'-P energy: -123.659
bonds (distance) P-C4' energy: -113.882
flat angles C4'-P-C4' energy: -121.197
flat angles P-C4'-P energy: -96.528
tors. eta vs tors. theta energy: -151.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1774.927087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.927087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.927087 (E_RNA)
where:
Base-Base interactions energy: -1236.649
where: short stacking energy: -529.788
Base-Backbone interact. energy: -2.120
local terms energy: -536.157829
where:
bonds (distance) C4'-P energy: -92.783
bonds (distance) P-C4' energy: -112.649
flat angles C4'-P-C4' energy: -116.746
flat angles P-C4'-P energy: -61.376
tors. eta vs tors. theta energy: -152.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1685.886037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.886037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.886037 (E_RNA)
where:
Base-Base interactions energy: -1156.620
where: short stacking energy: -500.460
Base-Backbone interact. energy: 0.308
local terms energy: -529.573550
where:
bonds (distance) C4'-P energy: -96.526
bonds (distance) P-C4' energy: -101.411
flat angles C4'-P-C4' energy: -124.934
flat angles P-C4'-P energy: -70.480
tors. eta vs tors. theta energy: -136.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1670.662456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.662456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.662456 (E_RNA)
where:
Base-Base interactions energy: -1136.937
where: short stacking energy: -495.865
Base-Backbone interact. energy: -1.544
local terms energy: -532.182097
where:
bonds (distance) C4'-P energy: -102.303
bonds (distance) P-C4' energy: -97.340
flat angles C4'-P-C4' energy: -108.583
flat angles P-C4'-P energy: -87.519
tors. eta vs tors. theta energy: -136.438
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: 115
Temperature: 1.100000
Total energy: -1588.833444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.833444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.833444 (E_RNA)
where:
Base-Base interactions energy: -1089.962
where: short stacking energy: -462.092
Base-Backbone interact. energy: 1.685
local terms energy: -500.555819
where:
bonds (distance) C4'-P energy: -102.849
bonds (distance) P-C4' energy: -98.761
flat angles C4'-P-C4' energy: -103.372
flat angles P-C4'-P energy: -73.743
tors. eta vs tors. theta energy: -121.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1488.910100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.910100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.910100 (E_RNA)
where:
Base-Base interactions energy: -1021.820
where: short stacking energy: -431.234
Base-Backbone interact. energy: 0.412
local terms energy: -467.502316
where:
bonds (distance) C4'-P energy: -98.373
bonds (distance) P-C4' energy: -92.190
flat angles C4'-P-C4' energy: -104.305
flat angles P-C4'-P energy: -74.032
tors. eta vs tors. theta energy: -98.601
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: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1408.013459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.013459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.013459 (E_RNA)
where:
Base-Base interactions energy: -954.684
where: short stacking energy: -393.572
Base-Backbone interact. energy: -0.738
local terms energy: -452.591537
where:
bonds (distance) C4'-P energy: -91.850
bonds (distance) P-C4' energy: -101.119
flat angles C4'-P-C4' energy: -90.975
flat angles P-C4'-P energy: -63.011
tors. eta vs tors. theta energy: -105.637
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: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1249.940164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.940164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.940164 (E_RNA)
where:
Base-Base interactions energy: -811.468
where: short stacking energy: -351.600
Base-Backbone interact. energy: -1.090
local terms energy: -437.382450
where:
bonds (distance) C4'-P energy: -86.668
bonds (distance) P-C4' energy: -106.032
flat angles C4'-P-C4' energy: -92.256
flat angles P-C4'-P energy: -62.553
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: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1002.297275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.297275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.297275 (E_RNA)
where:
Base-Base interactions energy: -639.324
where: short stacking energy: -314.798
Base-Backbone interact. energy: -2.635
local terms energy: -360.337878
where:
bonds (distance) C4'-P energy: -65.385
bonds (distance) P-C4' energy: -87.102
flat angles C4'-P-C4' energy: -90.132
flat angles P-C4'-P energy: -53.846
tors. eta vs tors. theta energy: -63.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -664.573660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.573660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.573660 (E_RNA)
where:
Base-Base interactions energy: -366.318
where: short stacking energy: -190.346
Base-Backbone interact. energy: 4.553
local terms energy: -302.809103
where:
bonds (distance) C4'-P energy: -88.548
bonds (distance) P-C4' energy: -105.516
flat angles C4'-P-C4' energy: -70.942
flat angles P-C4'-P energy: -44.025
tors. eta vs tors. theta energy: 6.222
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: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1870.086580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.086580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.086580 (E_RNA)
where:
Base-Base interactions energy: -1292.547
where: short stacking energy: -528.957
Base-Backbone interact. energy: -2.783
local terms energy: -574.757307
where:
bonds (distance) C4'-P energy: -110.987
bonds (distance) P-C4' energy: -118.572
flat angles C4'-P-C4' energy: -117.099
flat angles P-C4'-P energy: -79.109
tors. eta vs tors. theta energy: -148.990
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: 116
Temperature: 0.950000
Total energy: -1777.471013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.471013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.471013 (E_RNA)
where:
Base-Base interactions energy: -1212.479
where: short stacking energy: -518.035
Base-Backbone interact. energy: -2.491
local terms energy: -562.500598
where:
bonds (distance) C4'-P energy: -111.743
bonds (distance) P-C4' energy: -107.246
flat angles C4'-P-C4' energy: -112.339
flat angles P-C4'-P energy: -82.566
tors. eta vs tors. theta energy: -148.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1757.730962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.730962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.730962 (E_RNA)
where:
Base-Base interactions energy: -1223.150
where: short stacking energy: -508.813
Base-Backbone interact. energy: -1.008
local terms energy: -533.572895
where:
bonds (distance) C4'-P energy: -98.974
bonds (distance) P-C4' energy: -102.570
flat angles C4'-P-C4' energy: -106.037
flat angles P-C4'-P energy: -79.214
tors. eta vs tors. theta energy: -146.778
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: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1655.524072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.524072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.524072 (E_RNA)
where:
Base-Base interactions energy: -1136.962
where: short stacking energy: -483.150
Base-Backbone interact. energy: -0.534
local terms energy: -518.028171
where:
bonds (distance) C4'-P energy: -95.097
bonds (distance) P-C4' energy: -90.027
flat angles C4'-P-C4' energy: -121.046
flat angles P-C4'-P energy: -74.516
tors. eta vs tors. theta energy: -137.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1631.923921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.923921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.923921 (E_RNA)
where:
Base-Base interactions energy: -1124.388
where: short stacking energy: -463.194
Base-Backbone interact. energy: -2.044
local terms energy: -505.492003
where:
bonds (distance) C4'-P energy: -91.642
bonds (distance) P-C4' energy: -105.166
flat angles C4'-P-C4' energy: -105.573
flat angles P-C4'-P energy: -78.007
tors. eta vs tors. theta energy: -125.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1496.784136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.784136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.784136 (E_RNA)
where:
Base-Base interactions energy: -1026.211
where: short stacking energy: -403.539
Base-Backbone interact. energy: -3.349
local terms energy: -467.223890
where:
bonds (distance) C4'-P energy: -104.239
bonds (distance) P-C4' energy: -101.808
flat angles C4'-P-C4' energy: -104.264
flat angles P-C4'-P energy: -56.601
tors. eta vs tors. theta energy: -100.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1428.773543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.773543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.773543 (E_RNA)
where:
Base-Base interactions energy: -971.129
where: short stacking energy: -397.745
Base-Backbone interact. energy: -2.314
local terms energy: -455.330947
where:
bonds (distance) C4'-P energy: -92.503
bonds (distance) P-C4' energy: -79.334
flat angles C4'-P-C4' energy: -117.565
flat angles P-C4'-P energy: -51.819
tors. eta vs tors. theta energy: -114.109
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: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1180.255555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.255555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.255555 (E_RNA)
where:
Base-Base interactions energy: -769.719
where: short stacking energy: -335.106
Base-Backbone interact. energy: -0.741
local terms energy: -409.795461
where:
bonds (distance) C4'-P energy: -73.048
bonds (distance) P-C4' energy: -82.838
flat angles C4'-P-C4' energy: -104.043
flat angles P-C4'-P energy: -81.006
tors. eta vs tors. theta energy: -68.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -918.150988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.150988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.150988 (E_RNA)
where:
Base-Base interactions energy: -558.326
where: short stacking energy: -249.708
Base-Backbone interact. energy: 0.284
local terms energy: -360.108605
where:
bonds (distance) C4'-P energy: -87.070
bonds (distance) P-C4' energy: -85.161
flat angles C4'-P-C4' energy: -95.040
flat angles P-C4'-P energy: -63.150
tors. eta vs tors. theta energy: -29.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -668.804984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.804984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.804984 (E_RNA)
where:
Base-Base interactions energy: -381.786
where: short stacking energy: -209.926
Base-Backbone interact. energy: -3.901
local terms energy: -283.118287
where:
bonds (distance) C4'-P energy: -76.609
bonds (distance) P-C4' energy: -93.834
flat angles C4'-P-C4' energy: -60.816
flat angles P-C4'-P energy: -49.445
tors. eta vs tors. theta energy: -2.414
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: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1879.035039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.035039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.035039 (E_RNA)
where:
Base-Base interactions energy: -1310.853
where: short stacking energy: -530.471
Base-Backbone interact. energy: -2.867
local terms energy: -565.315004
where:
bonds (distance) C4'-P energy: -108.775
bonds (distance) P-C4' energy: -117.449
flat angles C4'-P-C4' energy: -119.474
flat angles P-C4'-P energy: -70.541
tors. eta vs tors. theta energy: -149.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1772.567091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.567091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.567091 (E_RNA)
where:
Base-Base interactions energy: -1213.994
where: short stacking energy: -526.818
Base-Backbone interact. energy: -1.065
local terms energy: -557.507745
where:
bonds (distance) C4'-P energy: -101.592
bonds (distance) P-C4' energy: -115.105
flat angles C4'-P-C4' energy: -116.170
flat angles P-C4'-P energy: -78.950
tors. eta vs tors. theta energy: -145.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1727.497115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.497115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.497115 (E_RNA)
where:
Base-Base interactions energy: -1158.783
where: short stacking energy: -501.655
Base-Backbone interact. energy: -4.539
local terms energy: -564.175589
where:
bonds (distance) C4'-P energy: -108.127
bonds (distance) P-C4' energy: -104.998
flat angles C4'-P-C4' energy: -123.608
flat angles P-C4'-P energy: -84.047
tors. eta vs tors. theta energy: -143.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1653.495645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.495645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.495645 (E_RNA)
where:
Base-Base interactions energy: -1117.292
where: short stacking energy: -478.551
Base-Backbone interact. energy: -4.499
local terms energy: -531.704743
where:
bonds (distance) C4'-P energy: -108.298
bonds (distance) P-C4' energy: -107.751
flat angles C4'-P-C4' energy: -103.747
flat angles P-C4'-P energy: -76.088
tors. eta vs tors. theta energy: -135.820
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: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1547.663260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.663260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.663260 (E_RNA)
where:
Base-Base interactions energy: -1046.466
where: short stacking energy: -439.979
Base-Backbone interact. energy: -0.434
local terms energy: -500.762436
where:
bonds (distance) C4'-P energy: -94.706
bonds (distance) P-C4' energy: -108.777
flat angles C4'-P-C4' energy: -124.298
flat angles P-C4'-P energy: -62.006
tors. eta vs tors. theta energy: -110.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1495.068349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.068349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.068349 (E_RNA)
where:
Base-Base interactions energy: -1018.504
where: short stacking energy: -415.870
Base-Backbone interact. energy: -2.422
local terms energy: -474.142418
where:
bonds (distance) C4'-P energy: -89.821
bonds (distance) P-C4' energy: -101.795
flat angles C4'-P-C4' energy: -104.596
flat angles P-C4'-P energy: -53.300
tors. eta vs tors. theta energy: -124.629
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: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1432.826860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.826860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.826860 (E_RNA)
where:
Base-Base interactions energy: -1009.526
where: short stacking energy: -419.809
Base-Backbone interact. energy: -4.209
local terms energy: -419.091610
where:
bonds (distance) C4'-P energy: -80.334
bonds (distance) P-C4' energy: -87.424
flat angles C4'-P-C4' energy: -103.924
flat angles P-C4'-P energy: -44.767
tors. eta vs tors. theta energy: -102.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1236.877426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.877426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.877426 (E_RNA)
where:
Base-Base interactions energy: -831.949
where: short stacking energy: -360.581
Base-Backbone interact. energy: 0.147
local terms energy: -405.074584
where:
bonds (distance) C4'-P energy: -74.452
bonds (distance) P-C4' energy: -88.011
flat angles C4'-P-C4' energy: -97.089
flat angles P-C4'-P energy: -61.856
tors. eta vs tors. theta energy: -83.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -928.394882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.394882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.394882 (E_RNA)
where:
Base-Base interactions energy: -559.000
where: short stacking energy: -255.935
Base-Backbone interact. energy: 0.097
local terms energy: -369.492557
where:
bonds (distance) C4'-P energy: -92.495
bonds (distance) P-C4' energy: -105.788
flat angles C4'-P-C4' energy: -84.539
flat angles P-C4'-P energy: -48.550
tors. eta vs tors. theta energy: -38.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -641.252661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.252661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.252661 (E_RNA)
where:
Base-Base interactions energy: -338.680
where: short stacking energy: -192.694
Base-Backbone interact. energy: 4.050
local terms energy: -306.623188
where:
bonds (distance) C4'-P energy: -78.520
bonds (distance) P-C4' energy: -85.375
flat angles C4'-P-C4' energy: -93.516
flat angles P-C4'-P energy: -40.753
tors. eta vs tors. theta energy: -8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1855.335945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.335945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.335945 (E_RNA)
where:
Base-Base interactions energy: -1303.818
where: short stacking energy: -521.847
Base-Backbone interact. energy: -2.518
local terms energy: -548.999856
where:
bonds (distance) C4'-P energy: -102.899
bonds (distance) P-C4' energy: -96.458
flat angles C4'-P-C4' energy: -119.508
flat angles P-C4'-P energy: -83.734
tors. eta vs tors. theta energy: -146.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1799.699879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.699879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.699879 (E_RNA)
where:
Base-Base interactions energy: -1230.331
where: short stacking energy: -533.695
Base-Backbone interact. energy: -1.131
local terms energy: -568.237180
where:
bonds (distance) C4'-P energy: -91.564
bonds (distance) P-C4' energy: -113.514
flat angles C4'-P-C4' energy: -120.735
flat angles P-C4'-P energy: -80.957
tors. eta vs tors. theta energy: -161.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1710.859547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.859547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.859547 (E_RNA)
where:
Base-Base interactions energy: -1169.719
where: short stacking energy: -474.019
Base-Backbone interact. energy: -3.439
local terms energy: -537.701069
where:
bonds (distance) C4'-P energy: -99.061
bonds (distance) P-C4' energy: -109.610
flat angles C4'-P-C4' energy: -120.409
flat angles P-C4'-P energy: -73.545
tors. eta vs tors. theta energy: -135.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1673.685260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.685260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.685260 (E_RNA)
where:
Base-Base interactions energy: -1148.414
where: short stacking energy: -496.068
Base-Backbone interact. energy: -2.186
local terms energy: -523.085196
where:
bonds (distance) C4'-P energy: -96.158
bonds (distance) P-C4' energy: -103.664
flat angles C4'-P-C4' energy: -121.629
flat angles P-C4'-P energy: -68.834
tors. eta vs tors. theta energy: -132.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1545.378791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.378791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.378791 (E_RNA)
where:
Base-Base interactions energy: -1041.797
where: short stacking energy: -430.883
Base-Backbone interact. energy: -2.187
local terms energy: -501.394742
where:
bonds (distance) C4'-P energy: -97.110
bonds (distance) P-C4' energy: -91.610
flat angles C4'-P-C4' energy: -118.661
flat angles P-C4'-P energy: -71.421
tors. eta vs tors. theta energy: -122.593
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: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1510.403024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.403024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.403024 (E_RNA)
where:
Base-Base interactions energy: -1034.554
where: short stacking energy: -435.145
Base-Backbone interact. energy: -4.537
local terms energy: -471.312007
where:
bonds (distance) C4'-P energy: -95.757
bonds (distance) P-C4' energy: -78.847
flat angles C4'-P-C4' energy: -105.863
flat angles P-C4'-P energy: -69.781
tors. eta vs tors. theta energy: -121.063
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: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1414.744889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.744889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.744889 (E_RNA)
where:
Base-Base interactions energy: -952.774
where: short stacking energy: -397.355
Base-Backbone interact. energy: -1.813
local terms energy: -460.157941
where:
bonds (distance) C4'-P energy: -91.880
bonds (distance) P-C4' energy: -104.659
flat angles C4'-P-C4' energy: -98.514
flat angles P-C4'-P energy: -66.773
tors. eta vs tors. theta energy: -98.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1257.554235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.554235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.554235 (E_RNA)
where:
Base-Base interactions energy: -831.981
where: short stacking energy: -352.351
Base-Backbone interact. energy: -0.398
local terms energy: -425.174717
where:
bonds (distance) C4'-P energy: -97.039
bonds (distance) P-C4' energy: -102.137
flat angles C4'-P-C4' energy: -91.597
flat angles P-C4'-P energy: -55.515
tors. eta vs tors. theta energy: -78.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -988.234456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.234456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.234456 (E_RNA)
where:
Base-Base interactions energy: -631.629
where: short stacking energy: -315.100
Base-Backbone interact. energy: 1.333
local terms energy: -357.938876
where:
bonds (distance) C4'-P energy: -79.118
bonds (distance) P-C4' energy: -75.188
flat angles C4'-P-C4' energy: -91.187
flat angles P-C4'-P energy: -55.675
tors. eta vs tors. theta energy: -56.771
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: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -675.402488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.402488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.402488 (E_RNA)
where:
Base-Base interactions energy: -354.873
where: short stacking energy: -207.524
Base-Backbone interact. energy: 5.098
local terms energy: -325.627870
where:
bonds (distance) C4'-P energy: -92.304
bonds (distance) P-C4' energy: -94.392
flat angles C4'-P-C4' energy: -81.866
flat angles P-C4'-P energy: -43.969
tors. eta vs tors. theta energy: -13.097
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: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1876.146643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.146643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.146643 (E_RNA)
where:
Base-Base interactions energy: -1313.298
where: short stacking energy: -530.934
Base-Backbone interact. energy: -4.418
local terms energy: -558.431122
where:
bonds (distance) C4'-P energy: -110.949
bonds (distance) P-C4' energy: -98.328
flat angles C4'-P-C4' energy: -121.710
flat angles P-C4'-P energy: -84.567
tors. eta vs tors. theta energy: -142.877
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: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1836.102631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.102631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.102631 (E_RNA)
where:
Base-Base interactions energy: -1262.102
where: short stacking energy: -567.671
Base-Backbone interact. energy: -0.668
local terms energy: -573.332888
where:
bonds (distance) C4'-P energy: -109.877
bonds (distance) P-C4' energy: -99.089
flat angles C4'-P-C4' energy: -124.442
flat angles P-C4'-P energy: -77.503
tors. eta vs tors. theta energy: -162.421
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: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1730.683721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.683721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.683721 (E_RNA)
where:
Base-Base interactions energy: -1193.649
where: short stacking energy: -510.562
Base-Backbone interact. energy: -3.143
local terms energy: -533.891428
where:
bonds (distance) C4'-P energy: -101.077
bonds (distance) P-C4' energy: -96.522
flat angles C4'-P-C4' energy: -112.903
flat angles P-C4'-P energy: -74.448
tors. eta vs tors. theta energy: -148.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1656.316011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.316011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.316011 (E_RNA)
where:
Base-Base interactions energy: -1119.466
where: short stacking energy: -482.387
Base-Backbone interact. energy: -1.573
local terms energy: -535.276958
where:
bonds (distance) C4'-P energy: -103.541
bonds (distance) P-C4' energy: -104.605
flat angles C4'-P-C4' energy: -117.725
flat angles P-C4'-P energy: -76.907
tors. eta vs tors. theta energy: -132.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1516.952397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.952397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.952397 (E_RNA)
where:
Base-Base interactions energy: -1051.641
where: short stacking energy: -443.935
Base-Backbone interact. energy: -1.288
local terms energy: -464.023293
where:
bonds (distance) C4'-P energy: -91.652
bonds (distance) P-C4' energy: -97.089
flat angles C4'-P-C4' energy: -102.354
flat angles P-C4'-P energy: -72.187
tors. eta vs tors. theta energy: -100.742
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: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1496.094926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.094926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.094926 (E_RNA)
where:
Base-Base interactions energy: -1025.404
where: short stacking energy: -421.518
Base-Backbone interact. energy: -5.119
local terms energy: -465.571129
where:
bonds (distance) C4'-P energy: -88.953
bonds (distance) P-C4' energy: -95.743
flat angles C4'-P-C4' energy: -107.811
flat angles P-C4'-P energy: -75.943
tors. eta vs tors. theta energy: -97.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1346.060090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.060090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.060090 (E_RNA)
where:
Base-Base interactions energy: -916.348
where: short stacking energy: -390.339
Base-Backbone interact. energy: -1.094
local terms energy: -428.618041
where:
bonds (distance) C4'-P energy: -79.934
bonds (distance) P-C4' energy: -90.793
flat angles C4'-P-C4' energy: -84.293
flat angles P-C4'-P energy: -70.649
tors. eta vs tors. theta energy: -102.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1183.963879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.963879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.963879 (E_RNA)
where:
Base-Base interactions energy: -781.386
where: short stacking energy: -336.512
Base-Backbone interact. energy: 1.782
local terms energy: -404.359631
where:
bonds (distance) C4'-P energy: -84.301
bonds (distance) P-C4' energy: -103.189
flat angles C4'-P-C4' energy: -88.184
flat angles P-C4'-P energy: -55.371
tors. eta vs tors. theta energy: -73.314
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: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -967.410107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.410107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.410107 (E_RNA)
where:
Base-Base interactions energy: -587.407
where: short stacking energy: -269.154
Base-Backbone interact. energy: 3.417
local terms energy: -383.420275
where:
bonds (distance) C4'-P energy: -94.474
bonds (distance) P-C4' energy: -79.552
flat angles C4'-P-C4' energy: -100.767
flat angles P-C4'-P energy: -69.917
tors. eta vs tors. theta energy: -38.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -611.965861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.965861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.965861 (E_RNA)
where:
Base-Base interactions energy: -325.241
where: short stacking energy: -174.804
Base-Backbone interact. energy: -1.370
local terms energy: -285.354947
where:
bonds (distance) C4'-P energy: -81.697
bonds (distance) P-C4' energy: -96.253
flat angles C4'-P-C4' energy: -88.182
flat angles P-C4'-P energy: -23.732
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: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1867.625633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.625633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.625633 (E_RNA)
where:
Base-Base interactions energy: -1289.022
where: short stacking energy: -526.738
Base-Backbone interact. energy: -3.380
local terms energy: -575.223639
where:
bonds (distance) C4'-P energy: -112.055
bonds (distance) P-C4' energy: -110.053
flat angles C4'-P-C4' energy: -127.831
flat angles P-C4'-P energy: -83.660
tors. eta vs tors. theta energy: -141.624
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: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1834.212182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.212182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.212182 (E_RNA)
where:
Base-Base interactions energy: -1230.925
where: short stacking energy: -541.004
Base-Backbone interact. energy: -1.227
local terms energy: -602.060237
where:
bonds (distance) C4'-P energy: -101.612
bonds (distance) P-C4' energy: -118.761
flat angles C4'-P-C4' energy: -123.805
flat angles P-C4'-P energy: -86.197
tors. eta vs tors. theta energy: -171.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1727.177536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.177536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.177536 (E_RNA)
where:
Base-Base interactions energy: -1198.782
where: short stacking energy: -497.766
Base-Backbone interact. energy: -1.706
local terms energy: -526.690088
where:
bonds (distance) C4'-P energy: -87.492
bonds (distance) P-C4' energy: -109.311
flat angles C4'-P-C4' energy: -107.746
flat angles P-C4'-P energy: -80.558
tors. eta vs tors. theta energy: -141.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1692.072385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.072385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.072385 (E_RNA)
where:
Base-Base interactions energy: -1166.629
where: short stacking energy: -487.918
Base-Backbone interact. energy: -1.359
local terms energy: -524.083974
where:
bonds (distance) C4'-P energy: -98.216
bonds (distance) P-C4' energy: -97.990
flat angles C4'-P-C4' energy: -110.942
flat angles P-C4'-P energy: -69.238
tors. eta vs tors. theta energy: -147.698
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: 120
Temperature: 1.100000
Total energy: -1557.014943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.014943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.014943 (E_RNA)
where:
Base-Base interactions energy: -1075.870
where: short stacking energy: -452.401
Base-Backbone interact. energy: 1.252
local terms energy: -482.397448
where:
bonds (distance) C4'-P energy: -108.883
bonds (distance) P-C4' energy: -93.305
flat angles C4'-P-C4' energy: -96.411
flat angles P-C4'-P energy: -66.393
tors. eta vs tors. theta energy: -117.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1414.367468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.367468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.367468 (E_RNA)
where:
Base-Base interactions energy: -944.166
where: short stacking energy: -405.175
Base-Backbone interact. energy: 0.384
local terms energy: -470.585392
where:
bonds (distance) C4'-P energy: -109.653
bonds (distance) P-C4' energy: -104.236
flat angles C4'-P-C4' energy: -96.689
flat angles P-C4'-P energy: -67.286
tors. eta vs tors. theta energy: -92.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1367.246713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.246713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.246713 (E_RNA)
where:
Base-Base interactions energy: -935.917
where: short stacking energy: -401.233
Base-Backbone interact. energy: 0.297
local terms energy: -431.626175
where:
bonds (distance) C4'-P energy: -76.337
bonds (distance) P-C4' energy: -82.777
flat angles C4'-P-C4' energy: -105.451
flat angles P-C4'-P energy: -65.094
tors. eta vs tors. theta energy: -101.967
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: 120
Temperature: 1.250000
Total energy: -1222.929516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.929516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.929516 (E_RNA)
where:
Base-Base interactions energy: -799.357
where: short stacking energy: -355.386
Base-Backbone interact. energy: -0.068
local terms energy: -423.505491
where:
bonds (distance) C4'-P energy: -89.549
bonds (distance) P-C4' energy: -100.963
flat angles C4'-P-C4' energy: -94.919
flat angles P-C4'-P energy: -55.453
tors. eta vs tors. theta energy: -82.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -979.535458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.535458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.535458 (E_RNA)
where:
Base-Base interactions energy: -596.605
where: short stacking energy: -275.706
Base-Backbone interact. energy: 2.931
local terms energy: -385.861117
where:
bonds (distance) C4'-P energy: -89.550
bonds (distance) P-C4' energy: -90.907
flat angles C4'-P-C4' energy: -91.354
flat angles P-C4'-P energy: -58.838
tors. eta vs tors. theta energy: -55.212
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: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -629.233084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.233084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.233084 (E_RNA)
where:
Base-Base interactions energy: -312.574
where: short stacking energy: -159.582
Base-Backbone interact. energy: 4.137
local terms energy: -320.795879
where:
bonds (distance) C4'-P energy: -82.189
bonds (distance) P-C4' energy: -91.335
flat angles C4'-P-C4' energy: -84.497
flat angles P-C4'-P energy: -50.532
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1911.044519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.044519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.044519 (E_RNA)
where:
Base-Base interactions energy: -1330.036
where: short stacking energy: -560.310
Base-Backbone interact. energy: -4.896
local terms energy: -576.112134
where:
bonds (distance) C4'-P energy: -97.095
bonds (distance) P-C4' energy: -104.201
flat angles C4'-P-C4' energy: -127.657
flat angles P-C4'-P energy: -84.007
tors. eta vs tors. theta energy: -163.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1863.404313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.404313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.404313 (E_RNA)
where:
Base-Base interactions energy: -1294.147
where: short stacking energy: -585.054
Base-Backbone interact. energy: -2.563
local terms energy: -566.694006
where:
bonds (distance) C4'-P energy: -89.674
bonds (distance) P-C4' energy: -101.864
flat angles C4'-P-C4' energy: -119.508
flat angles P-C4'-P energy: -77.965
tors. eta vs tors. theta energy: -177.683
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: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1729.155667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.155667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.155667 (E_RNA)
where:
Base-Base interactions energy: -1206.811
where: short stacking energy: -500.223
Base-Backbone interact. energy: -3.516
local terms energy: -518.828663
where:
bonds (distance) C4'-P energy: -95.197
bonds (distance) P-C4' energy: -90.109
flat angles C4'-P-C4' energy: -114.013
flat angles P-C4'-P energy: -74.911
tors. eta vs tors. theta energy: -144.598
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: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1637.804736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.804736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.804736 (E_RNA)
where:
Base-Base interactions energy: -1130.525
where: short stacking energy: -470.116
Base-Backbone interact. energy: -1.455
local terms energy: -505.823879
where:
bonds (distance) C4'-P energy: -101.395
bonds (distance) P-C4' energy: -103.798
flat angles C4'-P-C4' energy: -112.752
flat angles P-C4'-P energy: -64.145
tors. eta vs tors. theta energy: -123.734
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: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1544.403738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.403738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.403738 (E_RNA)
where:
Base-Base interactions energy: -1067.895
where: short stacking energy: -454.575
Base-Backbone interact. energy: 0.187
local terms energy: -476.695516
where:
bonds (distance) C4'-P energy: -80.872
bonds (distance) P-C4' energy: -99.272
flat angles C4'-P-C4' energy: -91.647
flat angles P-C4'-P energy: -86.415
tors. eta vs tors. theta energy: -118.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1468.402828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.402828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.402828 (E_RNA)
where:
Base-Base interactions energy: -980.034
where: short stacking energy: -415.020
Base-Backbone interact. energy: -1.058
local terms energy: -487.310499
where:
bonds (distance) C4'-P energy: -99.484
bonds (distance) P-C4' energy: -113.676
flat angles C4'-P-C4' energy: -99.151
flat angles P-C4'-P energy: -72.381
tors. eta vs tors. theta energy: -102.619
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: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1346.686133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.686133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.686133 (E_RNA)
where:
Base-Base interactions energy: -899.860
where: short stacking energy: -406.420
Base-Backbone interact. energy: 0.846
local terms energy: -447.672050
where:
bonds (distance) C4'-P energy: -109.676
bonds (distance) P-C4' energy: -76.998
flat angles C4'-P-C4' energy: -97.906
flat angles P-C4'-P energy: -60.006
tors. eta vs tors. theta energy: -103.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1123.645947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.645947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.645947 (E_RNA)
where:
Base-Base interactions energy: -761.088
where: short stacking energy: -313.104
Base-Backbone interact. energy: -2.634
local terms energy: -359.923666
where:
bonds (distance) C4'-P energy: -75.583
bonds (distance) P-C4' energy: -75.212
flat angles C4'-P-C4' energy: -92.520
flat angles P-C4'-P energy: -63.795
tors. eta vs tors. theta energy: -52.814
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: 121
Temperature: 1.300000
Total energy: -899.808649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.808649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.808649 (E_RNA)
where:
Base-Base interactions energy: -539.252
where: short stacking energy: -260.772
Base-Backbone interact. energy: 0.309
local terms energy: -360.865793
where:
bonds (distance) C4'-P energy: -96.293
bonds (distance) P-C4' energy: -97.075
flat angles C4'-P-C4' energy: -82.657
flat angles P-C4'-P energy: -46.799
tors. eta vs tors. theta energy: -38.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -612.075240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.075240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.075240 (E_RNA)
where:
Base-Base interactions energy: -297.022
where: short stacking energy: -160.764
Base-Backbone interact. energy: -0.395
local terms energy: -314.658276
where:
bonds (distance) C4'-P energy: -97.146
bonds (distance) P-C4' energy: -103.251
flat angles C4'-P-C4' energy: -72.880
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: 0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1926.050765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.050765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.050765 (E_RNA)
where:
Base-Base interactions energy: -1341.444
where: short stacking energy: -581.095
Base-Backbone interact. energy: -3.450
local terms energy: -581.156452
where:
bonds (distance) C4'-P energy: -106.762
bonds (distance) P-C4' energy: -111.357
flat angles C4'-P-C4' energy: -113.552
flat angles P-C4'-P energy: -85.243
tors. eta vs tors. theta energy: -164.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1816.627995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.627995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.627995 (E_RNA)
where:
Base-Base interactions energy: -1231.281
where: short stacking energy: -531.995
Base-Backbone interact. energy: -0.453
local terms energy: -584.894157
where:
bonds (distance) C4'-P energy: -110.046
bonds (distance) P-C4' energy: -112.527
flat angles C4'-P-C4' energy: -121.129
flat angles P-C4'-P energy: -79.383
tors. eta vs tors. theta energy: -161.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1688.032991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.032991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.032991 (E_RNA)
where:
Base-Base interactions energy: -1157.558
where: short stacking energy: -475.956
Base-Backbone interact. energy: -3.914
local terms energy: -526.560632
where:
bonds (distance) C4'-P energy: -102.083
bonds (distance) P-C4' energy: -104.218
flat angles C4'-P-C4' energy: -117.205
flat angles P-C4'-P energy: -77.692
tors. eta vs tors. theta energy: -125.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1622.248074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.248074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.248074 (E_RNA)
where:
Base-Base interactions energy: -1139.935
where: short stacking energy: -463.467
Base-Backbone interact. energy: 0.672
local terms energy: -482.985073
where:
bonds (distance) C4'-P energy: -95.331
bonds (distance) P-C4' energy: -97.160
flat angles C4'-P-C4' energy: -102.351
flat angles P-C4'-P energy: -58.950
tors. eta vs tors. theta energy: -129.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1528.162022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.162022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.162022 (E_RNA)
where:
Base-Base interactions energy: -1035.978
where: short stacking energy: -435.286
Base-Backbone interact. energy: 3.703
local terms energy: -495.887488
where:
bonds (distance) C4'-P energy: -101.946
bonds (distance) P-C4' energy: -97.338
flat angles C4'-P-C4' energy: -117.140
flat angles P-C4'-P energy: -74.544
tors. eta vs tors. theta energy: -104.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1450.158950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.158950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.158950 (E_RNA)
where:
Base-Base interactions energy: -965.257
where: short stacking energy: -375.644
Base-Backbone interact. energy: -1.523
local terms energy: -483.379271
where:
bonds (distance) C4'-P energy: -102.135
bonds (distance) P-C4' energy: -111.135
flat angles C4'-P-C4' energy: -93.280
flat angles P-C4'-P energy: -75.817
tors. eta vs tors. theta energy: -101.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1380.457374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.457374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.457374 (E_RNA)
where:
Base-Base interactions energy: -930.568
where: short stacking energy: -385.239
Base-Backbone interact. energy: -2.219
local terms energy: -447.670127
where:
bonds (distance) C4'-P energy: -92.592
bonds (distance) P-C4' energy: -97.285
flat angles C4'-P-C4' energy: -101.577
flat angles P-C4'-P energy: -56.312
tors. eta vs tors. theta energy: -99.903
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: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1154.357724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.357724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.357724 (E_RNA)
where:
Base-Base interactions energy: -737.329
where: short stacking energy: -339.397
Base-Backbone interact. energy: 1.863
local terms energy: -418.890850
where:
bonds (distance) C4'-P energy: -98.003
bonds (distance) P-C4' energy: -91.679
flat angles C4'-P-C4' energy: -93.815
flat angles P-C4'-P energy: -65.532
tors. eta vs tors. theta energy: -69.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -847.303052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.303052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.303052 (E_RNA)
where:
Base-Base interactions energy: -507.378
where: short stacking energy: -243.157
Base-Backbone interact. energy: -3.409
local terms energy: -336.515733
where:
bonds (distance) C4'-P energy: -79.325
bonds (distance) P-C4' energy: -80.711
flat angles C4'-P-C4' energy: -86.717
flat angles P-C4'-P energy: -59.270
tors. eta vs tors. theta energy: -30.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -620.440901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.440901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.440901 (E_RNA)
where:
Base-Base interactions energy: -334.736
where: short stacking energy: -179.043
Base-Backbone interact. energy: 1.416
local terms energy: -287.121156
where:
bonds (distance) C4'-P energy: -76.992
bonds (distance) P-C4' energy: -93.151
flat angles C4'-P-C4' energy: -64.015
flat angles P-C4'-P energy: -48.472
tors. eta vs tors. theta energy: -4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1898.367544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.367544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.367544 (E_RNA)
where:
Base-Base interactions energy: -1323.948
where: short stacking energy: -539.393
Base-Backbone interact. energy: -1.383
local terms energy: -573.036549
where:
bonds (distance) C4'-P energy: -107.604
bonds (distance) P-C4' energy: -108.270
flat angles C4'-P-C4' energy: -128.849
flat angles P-C4'-P energy: -79.245
tors. eta vs tors. theta energy: -149.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1821.400498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.400498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.400498 (E_RNA)
where:
Base-Base interactions energy: -1238.465
where: short stacking energy: -534.097
Base-Backbone interact. energy: 0.691
local terms energy: -583.627027
where:
bonds (distance) C4'-P energy: -104.678
bonds (distance) P-C4' energy: -108.689
flat angles C4'-P-C4' energy: -121.805
flat angles P-C4'-P energy: -82.322
tors. eta vs tors. theta energy: -166.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1730.762392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.762392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.762392 (E_RNA)
where:
Base-Base interactions energy: -1169.371
where: short stacking energy: -511.113
Base-Backbone interact. energy: -1.589
local terms energy: -559.803135
where:
bonds (distance) C4'-P energy: -103.809
bonds (distance) P-C4' energy: -123.642
flat angles C4'-P-C4' energy: -119.563
flat angles P-C4'-P energy: -75.345
tors. eta vs tors. theta energy: -137.445
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: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1654.739030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.739030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.739030 (E_RNA)
where:
Base-Base interactions energy: -1142.369
where: short stacking energy: -485.540
Base-Backbone interact. energy: -0.442
local terms energy: -511.928729
where:
bonds (distance) C4'-P energy: -86.717
bonds (distance) P-C4' energy: -96.283
flat angles C4'-P-C4' energy: -111.566
flat angles P-C4'-P energy: -73.418
tors. eta vs tors. theta energy: -143.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1555.473444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.473444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.473444 (E_RNA)
where:
Base-Base interactions energy: -1093.137
where: short stacking energy: -473.383
Base-Backbone interact. energy: 0.150
local terms energy: -462.487095
where:
bonds (distance) C4'-P energy: -86.363
bonds (distance) P-C4' energy: -85.136
flat angles C4'-P-C4' energy: -105.952
flat angles P-C4'-P energy: -74.266
tors. eta vs tors. theta energy: -110.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1470.840899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.840899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.840899 (E_RNA)
where:
Base-Base interactions energy: -1009.376
where: short stacking energy: -422.092
Base-Backbone interact. energy: -0.050
local terms energy: -461.415158
where:
bonds (distance) C4'-P energy: -90.935
bonds (distance) P-C4' energy: -95.584
flat angles C4'-P-C4' energy: -99.719
flat angles P-C4'-P energy: -66.265
tors. eta vs tors. theta energy: -108.914
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: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1327.443131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.443131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.443131 (E_RNA)
where:
Base-Base interactions energy: -896.612
where: short stacking energy: -375.258
Base-Backbone interact. energy: -0.806
local terms energy: -430.026094
where:
bonds (distance) C4'-P energy: -67.144
bonds (distance) P-C4' energy: -98.236
flat angles C4'-P-C4' energy: -111.853
flat angles P-C4'-P energy: -70.543
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: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1161.135956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.135956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.135956 (E_RNA)
where:
Base-Base interactions energy: -758.019
where: short stacking energy: -324.525
Base-Backbone interact. energy: -0.492
local terms energy: -402.623995
where:
bonds (distance) C4'-P energy: -90.554
bonds (distance) P-C4' energy: -79.190
flat angles C4'-P-C4' energy: -92.225
flat angles P-C4'-P energy: -70.412
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: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -829.013254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.013254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.013254 (E_RNA)
where:
Base-Base interactions energy: -467.845
where: short stacking energy: -227.007
Base-Backbone interact. energy: 3.095
local terms energy: -364.263276
where:
bonds (distance) C4'-P energy: -102.071
bonds (distance) P-C4' energy: -92.715
flat angles C4'-P-C4' energy: -95.375
flat angles P-C4'-P energy: -54.053
tors. eta vs tors. theta energy: -20.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -610.824352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.824352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.824352 (E_RNA)
where:
Base-Base interactions energy: -319.117
where: short stacking energy: -186.247
Base-Backbone interact. energy: 4.651
local terms energy: -296.357713
where:
bonds (distance) C4'-P energy: -93.232
bonds (distance) P-C4' energy: -85.715
flat angles C4'-P-C4' energy: -72.075
flat angles P-C4'-P energy: -38.882
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1893.217804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.217804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.217804 (E_RNA)
where:
Base-Base interactions energy: -1319.360
where: short stacking energy: -542.313
Base-Backbone interact. energy: -4.591
local terms energy: -569.266926
where:
bonds (distance) C4'-P energy: -113.963
bonds (distance) P-C4' energy: -102.895
flat angles C4'-P-C4' energy: -118.159
flat angles P-C4'-P energy: -78.863
tors. eta vs tors. theta energy: -155.386
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: -1811.876771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.876771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.876771 (E_RNA)
where:
Base-Base interactions energy: -1230.734
where: short stacking energy: -549.899
Base-Backbone interact. energy: -1.990
local terms energy: -579.152849
where:
bonds (distance) C4'-P energy: -90.729
bonds (distance) P-C4' energy: -107.955
flat angles C4'-P-C4' energy: -124.703
flat angles P-C4'-P energy: -84.830
tors. eta vs tors. theta energy: -170.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1743.768654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.768654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.768654 (E_RNA)
where:
Base-Base interactions energy: -1192.261
where: short stacking energy: -517.885
Base-Backbone interact. energy: -3.049
local terms energy: -548.459424
where:
bonds (distance) C4'-P energy: -100.290
bonds (distance) P-C4' energy: -101.497
flat angles C4'-P-C4' energy: -121.971
flat angles P-C4'-P energy: -75.660
tors. eta vs tors. theta energy: -149.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1657.877906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.877906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.877906 (E_RNA)
where:
Base-Base interactions energy: -1145.267
where: short stacking energy: -474.208
Base-Backbone interact. energy: -0.936
local terms energy: -511.674552
where:
bonds (distance) C4'-P energy: -99.457
bonds (distance) P-C4' energy: -103.842
flat angles C4'-P-C4' energy: -118.582
flat angles P-C4'-P energy: -66.694
tors. eta vs tors. theta energy: -123.100
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: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1513.610776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.610776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.610776 (E_RNA)
where:
Base-Base interactions energy: -1018.985
where: short stacking energy: -441.050
Base-Backbone interact. energy: -2.562
local terms energy: -492.063689
where:
bonds (distance) C4'-P energy: -94.671
bonds (distance) P-C4' energy: -97.195
flat angles C4'-P-C4' energy: -108.074
flat angles P-C4'-P energy: -64.585
tors. eta vs tors. theta energy: -127.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1468.415138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.415138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.415138 (E_RNA)
where:
Base-Base interactions energy: -1016.649
where: short stacking energy: -445.509
Base-Backbone interact. energy: -3.443
local terms energy: -448.323935
where:
bonds (distance) C4'-P energy: -101.250
bonds (distance) P-C4' energy: -84.098
flat angles C4'-P-C4' energy: -97.425
flat angles P-C4'-P energy: -57.940
tors. eta vs tors. theta energy: -107.611
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: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1333.444206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.444206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.444206 (E_RNA)
where:
Base-Base interactions energy: -884.017
where: short stacking energy: -377.233
Base-Backbone interact. energy: 1.364
local terms energy: -450.790822
where:
bonds (distance) C4'-P energy: -100.256
bonds (distance) P-C4' energy: -107.790
flat angles C4'-P-C4' energy: -105.008
flat angles P-C4'-P energy: -57.861
tors. eta vs tors. theta energy: -79.876
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: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1184.369599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.369599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.369599 (E_RNA)
where:
Base-Base interactions energy: -769.424
where: short stacking energy: -354.085
Base-Backbone interact. energy: 0.276
local terms energy: -415.221551
where:
bonds (distance) C4'-P energy: -103.743
bonds (distance) P-C4' energy: -88.954
flat angles C4'-P-C4' energy: -90.358
flat angles P-C4'-P energy: -56.547
tors. eta vs tors. theta energy: -75.620
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: 124
Temperature: 1.300000
Total energy: -842.765300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.765300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.765300 (E_RNA)
where:
Base-Base interactions energy: -528.534
where: short stacking energy: -236.555
Base-Backbone interact. energy: 5.143
local terms energy: -319.374847
where:
bonds (distance) C4'-P energy: -82.198
bonds (distance) P-C4' energy: -77.395
flat angles C4'-P-C4' energy: -89.586
flat angles P-C4'-P energy: -44.455
tors. eta vs tors. theta energy: -25.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -573.009058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.009058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.009058 (E_RNA)
where:
Base-Base interactions energy: -274.553
where: short stacking energy: -165.559
Base-Backbone interact. energy: -0.538
local terms energy: -297.918291
where:
bonds (distance) C4'-P energy: -72.693
bonds (distance) P-C4' energy: -101.196
flat angles C4'-P-C4' energy: -84.013
flat angles P-C4'-P energy: -25.004
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1888.527452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.527452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.527452 (E_RNA)
where:
Base-Base interactions energy: -1313.587
where: short stacking energy: -550.760
Base-Backbone interact. energy: -2.948
local terms energy: -571.992793
where:
bonds (distance) C4'-P energy: -110.229
bonds (distance) P-C4' energy: -111.105
flat angles C4'-P-C4' energy: -121.428
flat angles P-C4'-P energy: -68.008
tors. eta vs tors. theta energy: -161.223
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: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1823.029373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.029373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.029373 (E_RNA)
where:
Base-Base interactions energy: -1248.098
where: short stacking energy: -554.170
Base-Backbone interact. energy: -4.804
local terms energy: -570.127832
where:
bonds (distance) C4'-P energy: -108.586
bonds (distance) P-C4' energy: -95.685
flat angles C4'-P-C4' energy: -120.575
flat angles P-C4'-P energy: -81.761
tors. eta vs tors. theta energy: -163.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1743.805320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.805320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.805320 (E_RNA)
where:
Base-Base interactions energy: -1194.290
where: short stacking energy: -486.475
Base-Backbone interact. energy: 0.775
local terms energy: -550.290071
where:
bonds (distance) C4'-P energy: -113.811
bonds (distance) P-C4' energy: -93.317
flat angles C4'-P-C4' energy: -122.943
flat angles P-C4'-P energy: -83.143
tors. eta vs tors. theta energy: -137.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1651.194461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.194461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.194461 (E_RNA)
where:
Base-Base interactions energy: -1127.319
where: short stacking energy: -450.881
Base-Backbone interact. energy: -6.699
local terms energy: -517.175713
where:
bonds (distance) C4'-P energy: -99.495
bonds (distance) P-C4' energy: -103.572
flat angles C4'-P-C4' energy: -111.823
flat angles P-C4'-P energy: -70.679
tors. eta vs tors. theta energy: -131.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1566.660705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.660705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.660705 (E_RNA)
where:
Base-Base interactions energy: -1075.424
where: short stacking energy: -445.988
Base-Backbone interact. energy: 0.074
local terms energy: -491.309927
where:
bonds (distance) C4'-P energy: -97.224
bonds (distance) P-C4' energy: -88.130
flat angles C4'-P-C4' energy: -114.012
flat angles P-C4'-P energy: -66.014
tors. eta vs tors. theta energy: -125.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1438.065936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.065936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.065936 (E_RNA)
where:
Base-Base interactions energy: -984.665
where: short stacking energy: -399.313
Base-Backbone interact. energy: -3.360
local terms energy: -450.041222
where:
bonds (distance) C4'-P energy: -96.748
bonds (distance) P-C4' energy: -92.347
flat angles C4'-P-C4' energy: -113.384
flat angles P-C4'-P energy: -59.577
tors. eta vs tors. theta energy: -87.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1381.578515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.578515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.578515 (E_RNA)
where:
Base-Base interactions energy: -941.383
where: short stacking energy: -386.856
Base-Backbone interact. energy: 2.267
local terms energy: -442.463201
where:
bonds (distance) C4'-P energy: -90.308
bonds (distance) P-C4' energy: -89.002
flat angles C4'-P-C4' energy: -96.679
flat angles P-C4'-P energy: -68.057
tors. eta vs tors. theta energy: -98.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1147.412928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.412928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.412928 (E_RNA)
where:
Base-Base interactions energy: -766.457
where: short stacking energy: -327.569
Base-Backbone interact. energy: -2.218
local terms energy: -378.737806
where:
bonds (distance) C4'-P energy: -71.221
bonds (distance) P-C4' energy: -96.398
flat angles C4'-P-C4' energy: -98.206
flat angles P-C4'-P energy: -56.529
tors. eta vs tors. theta energy: -56.385
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: 125
Temperature: 1.300000
Total energy: -876.046122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.046122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.046122 (E_RNA)
where:
Base-Base interactions energy: -530.116
where: short stacking energy: -234.897
Base-Backbone interact. energy: -2.126
local terms energy: -343.803546
where:
bonds (distance) C4'-P energy: -94.119
bonds (distance) P-C4' energy: -88.819
flat angles C4'-P-C4' energy: -87.484
flat angles P-C4'-P energy: -47.120
tors. eta vs tors. theta energy: -26.262
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: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -566.682270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.682270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.682270 (E_RNA)
where:
Base-Base interactions energy: -308.516
where: short stacking energy: -162.220
Base-Backbone interact. energy: -0.260
local terms energy: -257.906784
where:
bonds (distance) C4'-P energy: -68.401
bonds (distance) P-C4' energy: -88.004
flat angles C4'-P-C4' energy: -72.703
flat angles P-C4'-P energy: -41.766
tors. eta vs tors. theta energy: 12.966
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: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1884.848208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.848208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.848208 (E_RNA)
where:
Base-Base interactions energy: -1309.298
where: short stacking energy: -522.389
Base-Backbone interact. energy: -2.822
local terms energy: -572.728449
where:
bonds (distance) C4'-P energy: -107.806
bonds (distance) P-C4' energy: -106.369
flat angles C4'-P-C4' energy: -126.162
flat angles P-C4'-P energy: -82.534
tors. eta vs tors. theta energy: -149.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1847.520036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.520036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.520036 (E_RNA)
where:
Base-Base interactions energy: -1257.002
where: short stacking energy: -541.254
Base-Backbone interact. energy: -2.008
local terms energy: -588.509979
where:
bonds (distance) C4'-P energy: -106.027
bonds (distance) P-C4' energy: -115.686
flat angles C4'-P-C4' energy: -119.907
flat angles P-C4'-P energy: -78.947
tors. eta vs tors. theta energy: -167.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1719.179497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.179497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.179497 (E_RNA)
where:
Base-Base interactions energy: -1179.895
where: short stacking energy: -520.467
Base-Backbone interact. energy: -4.199
local terms energy: -535.085793
where:
bonds (distance) C4'-P energy: -86.929
bonds (distance) P-C4' energy: -104.891
flat angles C4'-P-C4' energy: -114.718
flat angles P-C4'-P energy: -81.631
tors. eta vs tors. theta energy: -146.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1675.481565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.481565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.481565 (E_RNA)
where:
Base-Base interactions energy: -1145.409
where: short stacking energy: -488.540
Base-Backbone interact. energy: -2.254
local terms energy: -527.819035
where:
bonds (distance) C4'-P energy: -103.294
bonds (distance) P-C4' energy: -98.381
flat angles C4'-P-C4' energy: -116.971
flat angles P-C4'-P energy: -74.274
tors. eta vs tors. theta energy: -134.899
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: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1545.309340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.309340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.309340 (E_RNA)
where:
Base-Base interactions energy: -1054.155
where: short stacking energy: -454.439
Base-Backbone interact. energy: 0.357
local terms energy: -491.512096
where:
bonds (distance) C4'-P energy: -99.884
bonds (distance) P-C4' energy: -98.228
flat angles C4'-P-C4' energy: -100.608
flat angles P-C4'-P energy: -67.809
tors. eta vs tors. theta energy: -124.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1458.528476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.528476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.528476 (E_RNA)
where:
Base-Base interactions energy: -1000.098
where: short stacking energy: -401.179
Base-Backbone interact. energy: 1.706
local terms energy: -460.136275
where:
bonds (distance) C4'-P energy: -76.452
bonds (distance) P-C4' energy: -99.368
flat angles C4'-P-C4' energy: -112.622
flat angles P-C4'-P energy: -72.568
tors. eta vs tors. theta energy: -99.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1404.834302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.834302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.834302 (E_RNA)
where:
Base-Base interactions energy: -954.521
where: short stacking energy: -398.146
Base-Backbone interact. energy: -0.718
local terms energy: -449.595503
where:
bonds (distance) C4'-P energy: -82.216
bonds (distance) P-C4' energy: -95.511
flat angles C4'-P-C4' energy: -100.390
flat angles P-C4'-P energy: -61.328
tors. eta vs tors. theta energy: -110.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1190.874264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.874264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.874264 (E_RNA)
where:
Base-Base interactions energy: -777.318
where: short stacking energy: -340.406
Base-Backbone interact. energy: -1.340
local terms energy: -412.215632
where:
bonds (distance) C4'-P energy: -88.422
bonds (distance) P-C4' energy: -92.238
flat angles C4'-P-C4' energy: -88.625
flat angles P-C4'-P energy: -64.477
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: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -901.084179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.084179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.084179 (E_RNA)
where:
Base-Base interactions energy: -537.743
where: short stacking energy: -248.054
Base-Backbone interact. energy: 0.651
local terms energy: -363.992928
where:
bonds (distance) C4'-P energy: -86.535
bonds (distance) P-C4' energy: -91.283
flat angles C4'-P-C4' energy: -77.821
flat angles P-C4'-P energy: -63.516
tors. eta vs tors. theta energy: -44.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -522.166641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.166641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.166641 (E_RNA)
where:
Base-Base interactions energy: -231.593
where: short stacking energy: -150.070
Base-Backbone interact. energy: 7.980
local terms energy: -298.553360
where:
bonds (distance) C4'-P energy: -91.110
bonds (distance) P-C4' energy: -84.978
flat angles C4'-P-C4' energy: -70.394
flat angles P-C4'-P energy: -47.775
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1878.729131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.729131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.729131 (E_RNA)
where:
Base-Base interactions energy: -1276.372
where: short stacking energy: -528.002
Base-Backbone interact. energy: -4.229
local terms energy: -598.127812
where:
bonds (distance) C4'-P energy: -104.244
bonds (distance) P-C4' energy: -110.606
flat angles C4'-P-C4' energy: -123.149
flat angles P-C4'-P energy: -100.057
tors. eta vs tors. theta energy: -160.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1863.867822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.867822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.867822 (E_RNA)
where:
Base-Base interactions energy: -1262.083
where: short stacking energy: -563.995
Base-Backbone interact. energy: -1.986
local terms energy: -599.798284
where:
bonds (distance) C4'-P energy: -114.432
bonds (distance) P-C4' energy: -96.793
flat angles C4'-P-C4' energy: -127.779
flat angles P-C4'-P energy: -87.161
tors. eta vs tors. theta energy: -173.633
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: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1708.637230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.637230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.637230 (E_RNA)
where:
Base-Base interactions energy: -1183.489
where: short stacking energy: -471.215
Base-Backbone interact. energy: -5.626
local terms energy: -519.521541
where:
bonds (distance) C4'-P energy: -91.363
bonds (distance) P-C4' energy: -112.303
flat angles C4'-P-C4' energy: -106.426
flat angles P-C4'-P energy: -64.980
tors. eta vs tors. theta energy: -144.449
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: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1702.169864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.169864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.169864 (E_RNA)
where:
Base-Base interactions energy: -1168.631
where: short stacking energy: -502.231
Base-Backbone interact. energy: -0.770
local terms energy: -532.768691
where:
bonds (distance) C4'-P energy: -87.327
bonds (distance) P-C4' energy: -110.486
flat angles C4'-P-C4' energy: -117.266
flat angles P-C4'-P energy: -75.198
tors. eta vs tors. theta energy: -142.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1581.167647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.167647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.167647 (E_RNA)
where:
Base-Base interactions energy: -1059.361
where: short stacking energy: -465.525
Base-Backbone interact. energy: -2.520
local terms energy: -519.286671
where:
bonds (distance) C4'-P energy: -107.237
bonds (distance) P-C4' energy: -107.459
flat angles C4'-P-C4' energy: -105.445
flat angles P-C4'-P energy: -72.673
tors. eta vs tors. theta energy: -126.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1451.813233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.813233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.813233 (E_RNA)
where:
Base-Base interactions energy: -1009.361
where: short stacking energy: -405.616
Base-Backbone interact. energy: 0.403
local terms energy: -442.855200
where:
bonds (distance) C4'-P energy: -88.214
bonds (distance) P-C4' energy: -97.898
flat angles C4'-P-C4' energy: -86.066
flat angles P-C4'-P energy: -72.194
tors. eta vs tors. theta energy: -98.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1414.846269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.846269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.846269 (E_RNA)
where:
Base-Base interactions energy: -950.222
where: short stacking energy: -397.049
Base-Backbone interact. energy: -0.644
local terms energy: -463.980499
where:
bonds (distance) C4'-P energy: -86.633
bonds (distance) P-C4' energy: -96.502
flat angles C4'-P-C4' energy: -104.674
flat angles P-C4'-P energy: -60.658
tors. eta vs tors. theta energy: -115.512
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: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1153.870795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.870795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.870795 (E_RNA)
where:
Base-Base interactions energy: -729.508
where: short stacking energy: -317.157
Base-Backbone interact. energy: -2.695
local terms energy: -421.667934
where:
bonds (distance) C4'-P energy: -78.574
bonds (distance) P-C4' energy: -109.232
flat angles C4'-P-C4' energy: -97.639
flat angles P-C4'-P energy: -62.805
tors. eta vs tors. theta energy: -73.416
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: 127
Temperature: 1.300000
Total energy: -785.366544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.366544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.366544 (E_RNA)
where:
Base-Base interactions energy: -461.745
where: short stacking energy: -203.110
Base-Backbone interact. energy: 3.076
local terms energy: -326.697116
where:
bonds (distance) C4'-P energy: -85.622
bonds (distance) P-C4' energy: -99.955
flat angles C4'-P-C4' energy: -96.009
flat angles P-C4'-P energy: -43.739
tors. eta vs tors. theta energy: -1.373
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: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -545.545098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.545098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.545098 (E_RNA)
where:
Base-Base interactions energy: -244.339
where: short stacking energy: -163.692
Base-Backbone interact. energy: 4.767
local terms energy: -305.973419
where:
bonds (distance) C4'-P energy: -92.835
bonds (distance) P-C4' energy: -78.528
flat angles C4'-P-C4' energy: -89.538
flat angles P-C4'-P energy: -34.385
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1883.862535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.862535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.862535 (E_RNA)
where:
Base-Base interactions energy: -1303.927
where: short stacking energy: -530.806
Base-Backbone interact. energy: -2.695
local terms energy: -577.240764
where:
bonds (distance) C4'-P energy: -95.040
bonds (distance) P-C4' energy: -115.164
flat angles C4'-P-C4' energy: -123.866
flat angles P-C4'-P energy: -94.142
tors. eta vs tors. theta energy: -149.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1833.540449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.540449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.540449 (E_RNA)
where:
Base-Base interactions energy: -1253.588
where: short stacking energy: -556.006
Base-Backbone interact. energy: -2.199
local terms energy: -577.753626
where:
bonds (distance) C4'-P energy: -106.975
bonds (distance) P-C4' energy: -102.762
flat angles C4'-P-C4' energy: -120.267
flat angles P-C4'-P energy: -74.685
tors. eta vs tors. theta energy: -173.065
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: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1729.094790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.094790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.094790 (E_RNA)
where:
Base-Base interactions energy: -1184.957
where: short stacking energy: -490.503
Base-Backbone interact. energy: -4.249
local terms energy: -539.888718
where:
bonds (distance) C4'-P energy: -107.426
bonds (distance) P-C4' energy: -96.338
flat angles C4'-P-C4' energy: -116.254
flat angles P-C4'-P energy: -83.143
tors. eta vs tors. theta energy: -136.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1702.653117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.653117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.653117 (E_RNA)
where:
Base-Base interactions energy: -1161.582
where: short stacking energy: -506.234
Base-Backbone interact. energy: -5.986
local terms energy: -535.084923
where:
bonds (distance) C4'-P energy: -108.093
bonds (distance) P-C4' energy: -92.859
flat angles C4'-P-C4' energy: -121.235
flat angles P-C4'-P energy: -69.293
tors. eta vs tors. theta energy: -143.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1575.032727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.032727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.032727 (E_RNA)
where:
Base-Base interactions energy: -1072.407
where: short stacking energy: -441.714
Base-Backbone interact. energy: 0.687
local terms energy: -503.312985
where:
bonds (distance) C4'-P energy: -102.562
bonds (distance) P-C4' energy: -97.496
flat angles C4'-P-C4' energy: -114.115
flat angles P-C4'-P energy: -64.728
tors. eta vs tors. theta energy: -124.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1463.751795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.751795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.751795 (E_RNA)
where:
Base-Base interactions energy: -1005.748
where: short stacking energy: -420.488
Base-Backbone interact. energy: 3.653
local terms energy: -461.656768
where:
bonds (distance) C4'-P energy: -102.500
bonds (distance) P-C4' energy: -86.693
flat angles C4'-P-C4' energy: -102.471
flat angles P-C4'-P energy: -62.702
tors. eta vs tors. theta energy: -107.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1397.257596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.257596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.257596 (E_RNA)
where:
Base-Base interactions energy: -936.489
where: short stacking energy: -399.782
Base-Backbone interact. energy: -0.653
local terms energy: -460.115487
where:
bonds (distance) C4'-P energy: -97.100
bonds (distance) P-C4' energy: -89.773
flat angles C4'-P-C4' energy: -105.445
flat angles P-C4'-P energy: -58.178
tors. eta vs tors. theta energy: -109.620
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: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1218.933457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.933457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.933457 (E_RNA)
where:
Base-Base interactions energy: -790.603
where: short stacking energy: -340.673
Base-Backbone interact. energy: -1.844
local terms energy: -426.486352
where:
bonds (distance) C4'-P energy: -97.088
bonds (distance) P-C4' energy: -99.292
flat angles C4'-P-C4' energy: -97.820
flat angles P-C4'-P energy: -53.099
tors. eta vs tors. theta energy: -79.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -792.482300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.482300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.482300 (E_RNA)
where:
Base-Base interactions energy: -460.311
where: short stacking energy: -217.622
Base-Backbone interact. energy: -2.982
local terms energy: -329.189434
where:
bonds (distance) C4'-P energy: -84.824
bonds (distance) P-C4' energy: -88.077
flat angles C4'-P-C4' energy: -94.153
flat angles P-C4'-P energy: -56.558
tors. eta vs tors. theta energy: -5.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -576.257965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.257965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.257965 (E_RNA)
where:
Base-Base interactions energy: -283.341
where: short stacking energy: -145.078
Base-Backbone interact. energy: 2.252
local terms energy: -295.168356
where:
bonds (distance) C4'-P energy: -80.753
bonds (distance) P-C4' energy: -83.598
flat angles C4'-P-C4' energy: -89.224
flat angles P-C4'-P energy: -48.347
tors. eta vs tors. theta energy: 6.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1873.799978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.799978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.799978 (E_RNA)
where:
Base-Base interactions energy: -1289.191
where: short stacking energy: -551.101
Base-Backbone interact. energy: -0.257
local terms energy: -584.351221
where:
bonds (distance) C4'-P energy: -103.104
bonds (distance) P-C4' energy: -107.255
flat angles C4'-P-C4' energy: -127.851
flat angles P-C4'-P energy: -91.207
tors. eta vs tors. theta energy: -154.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1864.648845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.648845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.648845 (E_RNA)
where:
Base-Base interactions energy: -1275.450
where: short stacking energy: -581.904
Base-Backbone interact. energy: -0.894
local terms energy: -588.305434
where:
bonds (distance) C4'-P energy: -100.202
bonds (distance) P-C4' energy: -102.969
flat angles C4'-P-C4' energy: -125.727
flat angles P-C4'-P energy: -82.672
tors. eta vs tors. theta energy: -176.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1753.775293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.775293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.775293 (E_RNA)
where:
Base-Base interactions energy: -1207.105
where: short stacking energy: -522.064
Base-Backbone interact. energy: -3.371
local terms energy: -543.299858
where:
bonds (distance) C4'-P energy: -101.942
bonds (distance) P-C4' energy: -88.462
flat angles C4'-P-C4' energy: -113.460
flat angles P-C4'-P energy: -90.642
tors. eta vs tors. theta energy: -148.794
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: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1741.487000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.487000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.487000 (E_RNA)
where:
Base-Base interactions energy: -1191.774
where: short stacking energy: -505.751
Base-Backbone interact. energy: -2.830
local terms energy: -546.882688
where:
bonds (distance) C4'-P energy: -99.751
bonds (distance) P-C4' energy: -100.505
flat angles C4'-P-C4' energy: -111.024
flat angles P-C4'-P energy: -82.534
tors. eta vs tors. theta energy: -153.069
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: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1562.242851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.242851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.242851 (E_RNA)
where:
Base-Base interactions energy: -1069.416
where: short stacking energy: -449.802
Base-Backbone interact. energy: -1.078
local terms energy: -491.748580
where:
bonds (distance) C4'-P energy: -96.925
bonds (distance) P-C4' energy: -93.525
flat angles C4'-P-C4' energy: -108.596
flat angles P-C4'-P energy: -70.881
tors. eta vs tors. theta energy: -121.822
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: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1460.185333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.185333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.185333 (E_RNA)
where:
Base-Base interactions energy: -991.829
where: short stacking energy: -393.543
Base-Backbone interact. energy: -2.722
local terms energy: -465.634276
where:
bonds (distance) C4'-P energy: -90.689
bonds (distance) P-C4' energy: -96.333
flat angles C4'-P-C4' energy: -99.477
flat angles P-C4'-P energy: -66.132
tors. eta vs tors. theta energy: -113.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1410.247700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.247700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.247700 (E_RNA)
where:
Base-Base interactions energy: -960.951
where: short stacking energy: -389.945
Base-Backbone interact. energy: 1.284
local terms energy: -450.580842
where:
bonds (distance) C4'-P energy: -82.825
bonds (distance) P-C4' energy: -103.414
flat angles C4'-P-C4' energy: -104.921
flat angles P-C4'-P energy: -57.428
tors. eta vs tors. theta energy: -101.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1167.871094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.871094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.871094 (E_RNA)
where:
Base-Base interactions energy: -721.967
where: short stacking energy: -313.143
Base-Backbone interact. energy: -2.300
local terms energy: -443.604840
where:
bonds (distance) C4'-P energy: -87.832
bonds (distance) P-C4' energy: -98.060
flat angles C4'-P-C4' energy: -101.206
flat angles P-C4'-P energy: -86.900
tors. eta vs tors. theta energy: -69.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -781.162242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.162242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.162242 (E_RNA)
where:
Base-Base interactions energy: -449.079
where: short stacking energy: -222.408
Base-Backbone interact. energy: 2.486
local terms energy: -334.569782
where:
bonds (distance) C4'-P energy: -92.097
bonds (distance) P-C4' energy: -92.712
flat angles C4'-P-C4' energy: -75.442
flat angles P-C4'-P energy: -55.027
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -597.181378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.181378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.181378 (E_RNA)
where:
Base-Base interactions energy: -311.756
where: short stacking energy: -168.739
Base-Backbone interact. energy: -1.986
local terms energy: -283.439563
where:
bonds (distance) C4'-P energy: -78.898
bonds (distance) P-C4' energy: -97.374
flat angles C4'-P-C4' energy: -72.234
flat angles P-C4'-P energy: -34.945
tors. eta vs tors. theta energy: 0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1861.236342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.236342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.236342 (E_RNA)
where:
Base-Base interactions energy: -1305.308
where: short stacking energy: -547.911
Base-Backbone interact. energy: -0.339
local terms energy: -555.588992
where:
bonds (distance) C4'-P energy: -97.231
bonds (distance) P-C4' energy: -111.467
flat angles C4'-P-C4' energy: -118.927
flat angles P-C4'-P energy: -75.398
tors. eta vs tors. theta energy: -152.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1804.092330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.092330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.092330 (E_RNA)
where:
Base-Base interactions energy: -1218.885
where: short stacking energy: -523.904
Base-Backbone interact. energy: 1.308
local terms energy: -586.515119
where:
bonds (distance) C4'-P energy: -99.364
bonds (distance) P-C4' energy: -115.100
flat angles C4'-P-C4' energy: -124.116
flat angles P-C4'-P energy: -86.664
tors. eta vs tors. theta energy: -161.272
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: 130
Temperature: 1.000000
Total energy: -1746.369711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.369711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.369711 (E_RNA)
where:
Base-Base interactions energy: -1216.167
where: short stacking energy: -506.480
Base-Backbone interact. energy: -1.212
local terms energy: -528.990332
where:
bonds (distance) C4'-P energy: -100.598
bonds (distance) P-C4' energy: -92.650
flat angles C4'-P-C4' energy: -119.167
flat angles P-C4'-P energy: -79.101
tors. eta vs tors. theta energy: -137.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1661.585249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.585249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.585249 (E_RNA)
where:
Base-Base interactions energy: -1119.798
where: short stacking energy: -474.350
Base-Backbone interact. energy: -2.006
local terms energy: -539.780517
where:
bonds (distance) C4'-P energy: -96.355
bonds (distance) P-C4' energy: -103.359
flat angles C4'-P-C4' energy: -114.547
flat angles P-C4'-P energy: -83.062
tors. eta vs tors. theta energy: -142.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1566.922833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.922833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.922833 (E_RNA)
where:
Base-Base interactions energy: -1073.380
where: short stacking energy: -441.191
Base-Backbone interact. energy: -2.815
local terms energy: -490.728064
where:
bonds (distance) C4'-P energy: -101.776
bonds (distance) P-C4' energy: -101.463
flat angles C4'-P-C4' energy: -113.263
flat angles P-C4'-P energy: -52.842
tors. eta vs tors. theta energy: -121.383
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: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1469.912817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.912817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.912817 (E_RNA)
where:
Base-Base interactions energy: -1012.607
where: short stacking energy: -411.700
Base-Backbone interact. energy: -2.886
local terms energy: -454.419672
where:
bonds (distance) C4'-P energy: -94.581
bonds (distance) P-C4' energy: -92.125
flat angles C4'-P-C4' energy: -103.725
flat angles P-C4'-P energy: -63.845
tors. eta vs tors. theta energy: -100.143
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: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1383.534316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.534316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.534316 (E_RNA)
where:
Base-Base interactions energy: -941.433
where: short stacking energy: -376.075
Base-Backbone interact. energy: -5.390
local terms energy: -436.710926
where:
bonds (distance) C4'-P energy: -83.216
bonds (distance) P-C4' energy: -104.079
flat angles C4'-P-C4' energy: -82.580
flat angles P-C4'-P energy: -66.518
tors. eta vs tors. theta energy: -100.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1168.781591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.781591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.781591 (E_RNA)
where:
Base-Base interactions energy: -738.374
where: short stacking energy: -322.714
Base-Backbone interact. energy: 0.366
local terms energy: -430.773464
where:
bonds (distance) C4'-P energy: -92.921
bonds (distance) P-C4' energy: -110.096
flat angles C4'-P-C4' energy: -86.473
flat angles P-C4'-P energy: -68.076
tors. eta vs tors. theta energy: -73.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -776.541365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.541365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.541365 (E_RNA)
where:
Base-Base interactions energy: -439.933
where: short stacking energy: -224.141
Base-Backbone interact. energy: 0.966
local terms energy: -337.574130
where:
bonds (distance) C4'-P energy: -92.148
bonds (distance) P-C4' energy: -98.572
flat angles C4'-P-C4' energy: -79.503
flat angles P-C4'-P energy: -38.330
tors. eta vs tors. theta energy: -29.021
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: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -540.076561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.076561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.076561 (E_RNA)
where:
Base-Base interactions energy: -242.938
where: short stacking energy: -132.289
Base-Backbone interact. energy: -2.437
local terms energy: -294.701019
where:
bonds (distance) C4'-P energy: -77.888
bonds (distance) P-C4' energy: -84.316
flat angles C4'-P-C4' energy: -81.597
flat angles P-C4'-P energy: -63.187
tors. eta vs tors. theta energy: 12.287
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: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1871.291697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.291697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.291697 (E_RNA)
where:
Base-Base interactions energy: -1302.018
where: short stacking energy: -539.716
Base-Backbone interact. energy: -2.753
local terms energy: -566.521049
where:
bonds (distance) C4'-P energy: -102.705
bonds (distance) P-C4' energy: -107.110
flat angles C4'-P-C4' energy: -120.603
flat angles P-C4'-P energy: -85.060
tors. eta vs tors. theta energy: -151.043
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: 2, replica: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1790.892002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.892002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.892002 (E_RNA)
where:
Base-Base interactions energy: -1201.164
where: short stacking energy: -509.351
Base-Backbone interact. energy: -1.397
local terms energy: -588.330996
where:
bonds (distance) C4'-P energy: -113.440
bonds (distance) P-C4' energy: -111.906
flat angles C4'-P-C4' energy: -129.044
flat angles P-C4'-P energy: -76.732
tors. eta vs tors. theta energy: -157.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1741.407665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.407665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.407665 (E_RNA)
where:
Base-Base interactions energy: -1197.020
where: short stacking energy: -475.809
Base-Backbone interact. energy: -2.470
local terms energy: -541.917481
where:
bonds (distance) C4'-P energy: -97.472
bonds (distance) P-C4' energy: -101.354
flat angles C4'-P-C4' energy: -116.741
flat angles P-C4'-P energy: -82.310
tors. eta vs tors. theta energy: -144.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1676.059616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.059616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.059616 (E_RNA)
where:
Base-Base interactions energy: -1135.491
where: short stacking energy: -481.909
Base-Backbone interact. energy: -3.269
local terms energy: -537.299753
where:
bonds (distance) C4'-P energy: -100.497
bonds (distance) P-C4' energy: -108.186
flat angles C4'-P-C4' energy: -117.559
flat angles P-C4'-P energy: -73.342
tors. eta vs tors. theta energy: -137.716
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: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1538.596918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.596918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.596918 (E_RNA)
where:
Base-Base interactions energy: -1070.309
where: short stacking energy: -429.437
Base-Backbone interact. energy: -1.996
local terms energy: -466.292028
where:
bonds (distance) C4'-P energy: -88.750
bonds (distance) P-C4' energy: -100.444
flat angles C4'-P-C4' energy: -105.223
flat angles P-C4'-P energy: -58.275
tors. eta vs tors. theta energy: -113.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1419.721942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.721942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.721942 (E_RNA)
where:
Base-Base interactions energy: -965.150
where: short stacking energy: -397.469
Base-Backbone interact. energy: -1.629
local terms energy: -452.943278
where:
bonds (distance) C4'-P energy: -97.191
bonds (distance) P-C4' energy: -102.992
flat angles C4'-P-C4' energy: -97.833
flat angles P-C4'-P energy: -61.224
tors. eta vs tors. theta energy: -93.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1341.833995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.833995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.833995 (E_RNA)
where:
Base-Base interactions energy: -904.671
where: short stacking energy: -365.090
Base-Backbone interact. energy: -6.100
local terms energy: -431.063086
where:
bonds (distance) C4'-P energy: -92.510
bonds (distance) P-C4' energy: -90.733
flat angles C4'-P-C4' energy: -100.602
flat angles P-C4'-P energy: -63.254
tors. eta vs tors. theta energy: -83.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1224.655543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.655543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.655543 (E_RNA)
where:
Base-Base interactions energy: -822.123
where: short stacking energy: -341.782
Base-Backbone interact. energy: -1.704
local terms energy: -400.828060
where:
bonds (distance) C4'-P energy: -86.490
bonds (distance) P-C4' energy: -82.557
flat angles C4'-P-C4' energy: -96.719
flat angles P-C4'-P energy: -48.635
tors. eta vs tors. theta energy: -86.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -806.642369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.642369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.642369 (E_RNA)
where:
Base-Base interactions energy: -472.811
where: short stacking energy: -247.778
Base-Backbone interact. energy: 0.066
local terms energy: -333.897412
where:
bonds (distance) C4'-P energy: -79.067
bonds (distance) P-C4' energy: -86.894
flat angles C4'-P-C4' energy: -81.909
flat angles P-C4'-P energy: -42.783
tors. eta vs tors. theta energy: -43.244
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: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -543.376107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.376107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.376107 (E_RNA)
where:
Base-Base interactions energy: -261.001
where: short stacking energy: -149.595
Base-Backbone interact. energy: 0.766
local terms energy: -283.141076
where:
bonds (distance) C4'-P energy: -87.440
bonds (distance) P-C4' energy: -99.393
flat angles C4'-P-C4' energy: -78.677
flat angles P-C4'-P energy: -33.186
tors. eta vs tors. theta energy: 15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1864.508460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.508460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.508460 (E_RNA)
where:
Base-Base interactions energy: -1307.331
where: short stacking energy: -544.264
Base-Backbone interact. energy: -0.112
local terms energy: -557.065408
where:
bonds (distance) C4'-P energy: -112.671
bonds (distance) P-C4' energy: -113.819
flat angles C4'-P-C4' energy: -107.873
flat angles P-C4'-P energy: -72.703
tors. eta vs tors. theta energy: -149.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1847.607332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.607332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.607332 (E_RNA)
where:
Base-Base interactions energy: -1252.931
where: short stacking energy: -570.955
Base-Backbone interact. energy: -0.464
local terms energy: -594.213011
where:
bonds (distance) C4'-P energy: -107.636
bonds (distance) P-C4' energy: -103.563
flat angles C4'-P-C4' energy: -126.448
flat angles P-C4'-P energy: -86.741
tors. eta vs tors. theta energy: -169.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1739.279472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.279472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.279472 (E_RNA)
where:
Base-Base interactions energy: -1189.153
where: short stacking energy: -482.531
Base-Backbone interact. energy: -2.928
local terms energy: -547.198471
where:
bonds (distance) C4'-P energy: -95.181
bonds (distance) P-C4' energy: -110.146
flat angles C4'-P-C4' energy: -106.695
flat angles P-C4'-P energy: -90.269
tors. eta vs tors. theta energy: -144.906
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: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1674.747561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.747561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.747561 (E_RNA)
where:
Base-Base interactions energy: -1144.200
where: short stacking energy: -483.250
Base-Backbone interact. energy: -3.149
local terms energy: -527.398577
where:
bonds (distance) C4'-P energy: -96.831
bonds (distance) P-C4' energy: -104.813
flat angles C4'-P-C4' energy: -120.960
flat angles P-C4'-P energy: -76.509
tors. eta vs tors. theta energy: -128.285
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: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1538.747059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.747059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.747059 (E_RNA)
where:
Base-Base interactions energy: -1050.357
where: short stacking energy: -423.251
Base-Backbone interact. energy: -3.518
local terms energy: -484.872322
where:
bonds (distance) C4'-P energy: -86.207
bonds (distance) P-C4' energy: -110.431
flat angles C4'-P-C4' energy: -112.112
flat angles P-C4'-P energy: -64.925
tors. eta vs tors. theta energy: -111.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1440.445776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.445776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.445776 (E_RNA)
where:
Base-Base interactions energy: -971.892
where: short stacking energy: -411.446
Base-Backbone interact. energy: -1.468
local terms energy: -467.085369
where:
bonds (distance) C4'-P energy: -94.776
bonds (distance) P-C4' energy: -94.996
flat angles C4'-P-C4' energy: -102.205
flat angles P-C4'-P energy: -74.972
tors. eta vs tors. theta energy: -100.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1400.019868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.019868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.019868 (E_RNA)
where:
Base-Base interactions energy: -962.236
where: short stacking energy: -397.034
Base-Backbone interact. energy: 1.554
local terms energy: -439.337252
where:
bonds (distance) C4'-P energy: -82.753
bonds (distance) P-C4' energy: -103.507
flat angles C4'-P-C4' energy: -103.499
flat angles P-C4'-P energy: -51.490
tors. eta vs tors. theta energy: -98.089
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: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1298.605719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.605719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.605719 (E_RNA)
where:
Base-Base interactions energy: -865.728
where: short stacking energy: -394.426
Base-Backbone interact. energy: 3.103
local terms energy: -435.980182
where:
bonds (distance) C4'-P energy: -80.248
bonds (distance) P-C4' energy: -97.265
flat angles C4'-P-C4' energy: -87.671
flat angles P-C4'-P energy: -67.004
tors. eta vs tors. theta energy: -103.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -850.428281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.428281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.428281 (E_RNA)
where:
Base-Base interactions energy: -510.346
where: short stacking energy: -215.927
Base-Backbone interact. energy: -4.883
local terms energy: -335.198687
where:
bonds (distance) C4'-P energy: -81.286
bonds (distance) P-C4' energy: -85.408
flat angles C4'-P-C4' energy: -89.877
flat angles P-C4'-P energy: -49.948
tors. eta vs tors. theta energy: -28.680
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: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -581.642916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.642916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.642916 (E_RNA)
where:
Base-Base interactions energy: -284.105
where: short stacking energy: -173.076
Base-Backbone interact. energy: 0.192
local terms energy: -297.730109
where:
bonds (distance) C4'-P energy: -72.539
bonds (distance) P-C4' energy: -72.302
flat angles C4'-P-C4' energy: -95.298
flat angles P-C4'-P energy: -61.807
tors. eta vs tors. theta energy: 4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1881.816919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.816919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.816919 (E_RNA)
where:
Base-Base interactions energy: -1284.949
where: short stacking energy: -548.677
Base-Backbone interact. energy: 0.231
local terms energy: -597.098663
where:
bonds (distance) C4'-P energy: -117.379
bonds (distance) P-C4' energy: -119.152
flat angles C4'-P-C4' energy: -122.981
flat angles P-C4'-P energy: -74.342
tors. eta vs tors. theta energy: -163.245
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: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1825.428465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.428465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.428465 (E_RNA)
where:
Base-Base interactions energy: -1249.018
where: short stacking energy: -543.868
Base-Backbone interact. energy: -2.597
local terms energy: -573.813563
where:
bonds (distance) C4'-P energy: -103.312
bonds (distance) P-C4' energy: -102.590
flat angles C4'-P-C4' energy: -130.400
flat angles P-C4'-P energy: -80.693
tors. eta vs tors. theta energy: -156.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1743.408140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.408140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.408140 (E_RNA)
where:
Base-Base interactions energy: -1211.887
where: short stacking energy: -476.929
Base-Backbone interact. energy: 4.048
local terms energy: -535.569366
where:
bonds (distance) C4'-P energy: -103.356
bonds (distance) P-C4' energy: -99.264
flat angles C4'-P-C4' energy: -118.068
flat angles P-C4'-P energy: -82.273
tors. eta vs tors. theta energy: -132.610
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: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1666.621388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.621388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.621388 (E_RNA)
where:
Base-Base interactions energy: -1142.888
where: short stacking energy: -483.347
Base-Backbone interact. energy: -6.280
local terms energy: -517.453904
where:
bonds (distance) C4'-P energy: -106.243
bonds (distance) P-C4' energy: -96.890
flat angles C4'-P-C4' energy: -103.286
flat angles P-C4'-P energy: -77.597
tors. eta vs tors. theta energy: -133.437
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: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1542.856274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.856274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.856274 (E_RNA)
where:
Base-Base interactions energy: -1055.473
where: short stacking energy: -472.997
Base-Backbone interact. energy: 2.172
local terms energy: -489.554673
where:
bonds (distance) C4'-P energy: -93.367
bonds (distance) P-C4' energy: -103.329
flat angles C4'-P-C4' energy: -104.450
flat angles P-C4'-P energy: -64.514
tors. eta vs tors. theta energy: -123.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1456.407074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.407074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.407074 (E_RNA)
where:
Base-Base interactions energy: -980.548
where: short stacking energy: -405.718
Base-Backbone interact. energy: -1.390
local terms energy: -474.469156
where:
bonds (distance) C4'-P energy: -91.943
bonds (distance) P-C4' energy: -107.194
flat angles C4'-P-C4' energy: -105.782
flat angles P-C4'-P energy: -67.089
tors. eta vs tors. theta energy: -102.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1388.395016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.395016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.395016 (E_RNA)
where:
Base-Base interactions energy: -922.141
where: short stacking energy: -417.967
Base-Backbone interact. energy: 0.475
local terms energy: -466.728712
where:
bonds (distance) C4'-P energy: -90.642
bonds (distance) P-C4' energy: -108.275
flat angles C4'-P-C4' energy: -104.461
flat angles P-C4'-P energy: -58.566
tors. eta vs tors. theta energy: -104.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1328.976317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.976317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.976317 (E_RNA)
where:
Base-Base interactions energy: -893.036
where: short stacking energy: -369.396
Base-Backbone interact. energy: -1.145
local terms energy: -434.795958
where:
bonds (distance) C4'-P energy: -80.753
bonds (distance) P-C4' energy: -82.821
flat angles C4'-P-C4' energy: -92.094
flat angles P-C4'-P energy: -72.837
tors. eta vs tors. theta energy: -106.291
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: 133
Temperature: 1.300000
Total energy: -913.227544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.227544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.227544 (E_RNA)
where:
Base-Base interactions energy: -557.485
where: short stacking energy: -252.360
Base-Backbone interact. energy: -0.596
local terms energy: -355.145773
where:
bonds (distance) C4'-P energy: -83.341
bonds (distance) P-C4' energy: -100.035
flat angles C4'-P-C4' energy: -83.691
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: -45.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -511.834829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.834829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.834829 (E_RNA)
where:
Base-Base interactions energy: -211.751
where: short stacking energy: -132.127
Base-Backbone interact. energy: -1.034
local terms energy: -299.049832
where:
bonds (distance) C4'-P energy: -97.014
bonds (distance) P-C4' energy: -83.156
flat angles C4'-P-C4' energy: -83.200
flat angles P-C4'-P energy: -44.428
tors. eta vs tors. theta energy: 8.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1872.866112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.866112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.866112 (E_RNA)
where:
Base-Base interactions energy: -1286.691
where: short stacking energy: -531.759
Base-Backbone interact. energy: -1.147
local terms energy: -585.029040
where:
bonds (distance) C4'-P energy: -111.059
bonds (distance) P-C4' energy: -113.293
flat angles C4'-P-C4' energy: -120.426
flat angles P-C4'-P energy: -79.198
tors. eta vs tors. theta energy: -161.053
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: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1820.616787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.616787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.616787 (E_RNA)
where:
Base-Base interactions energy: -1228.094
where: short stacking energy: -561.281
Base-Backbone interact. energy: -1.358
local terms energy: -591.165175
where:
bonds (distance) C4'-P energy: -104.243
bonds (distance) P-C4' energy: -105.608
flat angles C4'-P-C4' energy: -121.671
flat angles P-C4'-P energy: -94.748
tors. eta vs tors. theta energy: -164.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1759.360352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.360352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.360352 (E_RNA)
where:
Base-Base interactions energy: -1213.708
where: short stacking energy: -506.256
Base-Backbone interact. energy: -1.529
local terms energy: -544.123488
where:
bonds (distance) C4'-P energy: -119.487
bonds (distance) P-C4' energy: -96.456
flat angles C4'-P-C4' energy: -113.046
flat angles P-C4'-P energy: -71.869
tors. eta vs tors. theta energy: -143.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1681.048134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.048134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.048134 (E_RNA)
where:
Base-Base interactions energy: -1167.246
where: short stacking energy: -513.702
Base-Backbone interact. energy: -1.594
local terms energy: -512.207795
where:
bonds (distance) C4'-P energy: -88.031
bonds (distance) P-C4' energy: -92.128
flat angles C4'-P-C4' energy: -111.225
flat angles P-C4'-P energy: -79.301
tors. eta vs tors. theta energy: -141.523
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: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1566.399975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.399975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.399975 (E_RNA)
where:
Base-Base interactions energy: -1039.278
where: short stacking energy: -439.912
Base-Backbone interact. energy: -2.999
local terms energy: -524.122772
where:
bonds (distance) C4'-P energy: -84.502
bonds (distance) P-C4' energy: -117.486
flat angles C4'-P-C4' energy: -117.669
flat angles P-C4'-P energy: -73.734
tors. eta vs tors. theta energy: -130.732
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: 6, replica: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1479.827358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.827358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.827358 (E_RNA)
where:
Base-Base interactions energy: -1016.166
where: short stacking energy: -442.300
Base-Backbone interact. energy: -2.078
local terms energy: -461.584009
where:
bonds (distance) C4'-P energy: -84.531
bonds (distance) P-C4' energy: -94.978
flat angles C4'-P-C4' energy: -101.593
flat angles P-C4'-P energy: -63.937
tors. eta vs tors. theta energy: -116.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1369.287890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.287890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.287890 (E_RNA)
where:
Base-Base interactions energy: -932.201
where: short stacking energy: -393.931
Base-Backbone interact. energy: 3.867
local terms energy: -440.953992
where:
bonds (distance) C4'-P energy: -82.965
bonds (distance) P-C4' energy: -98.477
flat angles C4'-P-C4' energy: -96.950
flat angles P-C4'-P energy: -65.630
tors. eta vs tors. theta energy: -96.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1345.391141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.391141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.391141 (E_RNA)
where:
Base-Base interactions energy: -894.586
where: short stacking energy: -362.905
Base-Backbone interact. energy: -1.445
local terms energy: -449.359914
where:
bonds (distance) C4'-P energy: -90.926
bonds (distance) P-C4' energy: -101.150
flat angles C4'-P-C4' energy: -95.681
flat angles P-C4'-P energy: -67.760
tors. eta vs tors. theta energy: -93.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -927.338318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.338318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.338318 (E_RNA)
where:
Base-Base interactions energy: -571.802
where: short stacking energy: -259.256
Base-Backbone interact. energy: 1.660
local terms energy: -357.196511
where:
bonds (distance) C4'-P energy: -83.094
bonds (distance) P-C4' energy: -100.943
flat angles C4'-P-C4' energy: -81.405
flat angles P-C4'-P energy: -57.748
tors. eta vs tors. theta energy: -34.006
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: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -550.899132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.899132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.899132 (E_RNA)
where:
Base-Base interactions energy: -261.633
where: short stacking energy: -145.267
Base-Backbone interact. energy: -1.549
local terms energy: -287.717760
where:
bonds (distance) C4'-P energy: -89.233
bonds (distance) P-C4' energy: -81.084
flat angles C4'-P-C4' energy: -83.762
flat angles P-C4'-P energy: -52.225
tors. eta vs tors. theta energy: 18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1887.167696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.167696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.167696 (E_RNA)
where:
Base-Base interactions energy: -1314.814
where: short stacking energy: -541.716
Base-Backbone interact. energy: -2.266
local terms energy: -570.087706
where:
bonds (distance) C4'-P energy: -105.537
bonds (distance) P-C4' energy: -112.116
flat angles C4'-P-C4' energy: -121.996
flat angles P-C4'-P energy: -63.895
tors. eta vs tors. theta energy: -166.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1853.260895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.260895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.260895 (E_RNA)
where:
Base-Base interactions energy: -1266.055
where: short stacking energy: -566.512
Base-Backbone interact. energy: 1.659
local terms energy: -588.865732
where:
bonds (distance) C4'-P energy: -116.405
bonds (distance) P-C4' energy: -97.486
flat angles C4'-P-C4' energy: -119.619
flat angles P-C4'-P energy: -95.114
tors. eta vs tors. theta energy: -160.241
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: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1761.021931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.021931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.021931 (E_RNA)
where:
Base-Base interactions energy: -1218.314
where: short stacking energy: -497.323
Base-Backbone interact. energy: -4.955
local terms energy: -537.752599
where:
bonds (distance) C4'-P energy: -93.851
bonds (distance) P-C4' energy: -108.829
flat angles C4'-P-C4' energy: -120.282
flat angles P-C4'-P energy: -83.063
tors. eta vs tors. theta energy: -131.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1702.350803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.350803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.350803 (E_RNA)
where:
Base-Base interactions energy: -1151.025
where: short stacking energy: -507.894
Base-Backbone interact. energy: -2.410
local terms energy: -548.916332
where:
bonds (distance) C4'-P energy: -96.427
bonds (distance) P-C4' energy: -112.853
flat angles C4'-P-C4' energy: -119.663
flat angles P-C4'-P energy: -80.142
tors. eta vs tors. theta energy: -139.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1555.253542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.253542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.253542 (E_RNA)
where:
Base-Base interactions energy: -1041.470
where: short stacking energy: -439.135
Base-Backbone interact. energy: -3.812
local terms energy: -509.971629
where:
bonds (distance) C4'-P energy: -103.979
bonds (distance) P-C4' energy: -111.843
flat angles C4'-P-C4' energy: -105.088
flat angles P-C4'-P energy: -68.705
tors. eta vs tors. theta energy: -120.357
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: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1473.934139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.934139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.934139 (E_RNA)
where:
Base-Base interactions energy: -992.945
where: short stacking energy: -425.784
Base-Backbone interact. energy: -2.582
local terms energy: -478.407272
where:
bonds (distance) C4'-P energy: -101.564
bonds (distance) P-C4' energy: -90.712
flat angles C4'-P-C4' energy: -110.530
flat angles P-C4'-P energy: -58.348
tors. eta vs tors. theta energy: -117.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1453.760912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.760912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.760912 (E_RNA)
where:
Base-Base interactions energy: -994.321
where: short stacking energy: -410.710
Base-Backbone interact. energy: 1.940
local terms energy: -461.379438
where:
bonds (distance) C4'-P energy: -106.990
bonds (distance) P-C4' energy: -102.171
flat angles C4'-P-C4' energy: -83.797
flat angles P-C4'-P energy: -72.439
tors. eta vs tors. theta energy: -95.983
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: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1247.918340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.918340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.918340 (E_RNA)
where:
Base-Base interactions energy: -818.012
where: short stacking energy: -355.793
Base-Backbone interact. energy: -1.412
local terms energy: -428.494981
where:
bonds (distance) C4'-P energy: -85.972
bonds (distance) P-C4' energy: -92.758
flat angles C4'-P-C4' energy: -104.860
flat angles P-C4'-P energy: -49.278
tors. eta vs tors. theta energy: -95.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -945.688601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.688601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.688601 (E_RNA)
where:
Base-Base interactions energy: -549.324
where: short stacking energy: -245.493
Base-Backbone interact. energy: -4.367
local terms energy: -391.997711
where:
bonds (distance) C4'-P energy: -99.036
bonds (distance) P-C4' energy: -102.707
flat angles C4'-P-C4' energy: -94.715
flat angles P-C4'-P energy: -48.841
tors. eta vs tors. theta energy: -46.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -576.472853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.472853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.472853 (E_RNA)
where:
Base-Base interactions energy: -272.249
where: short stacking energy: -162.844
Base-Backbone interact. energy: 1.650
local terms energy: -305.873339
where:
bonds (distance) C4'-P energy: -89.393
bonds (distance) P-C4' energy: -95.583
flat angles C4'-P-C4' energy: -83.390
flat angles P-C4'-P energy: -37.669
tors. eta vs tors. theta energy: 0.162
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: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1886.356198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.356198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.356198 (E_RNA)
where:
Base-Base interactions energy: -1303.551
where: short stacking energy: -541.291
Base-Backbone interact. energy: -3.062
local terms energy: -579.743173
where:
bonds (distance) C4'-P energy: -108.356
bonds (distance) P-C4' energy: -95.702
flat angles C4'-P-C4' energy: -118.820
flat angles P-C4'-P energy: -87.042
tors. eta vs tors. theta energy: -169.823
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: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1834.640687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.640687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.640687 (E_RNA)
where:
Base-Base interactions energy: -1228.296
where: short stacking energy: -544.723
Base-Backbone interact. energy: -3.294
local terms energy: -603.050336
where:
bonds (distance) C4'-P energy: -106.523
bonds (distance) P-C4' energy: -125.895
flat angles C4'-P-C4' energy: -122.615
flat angles P-C4'-P energy: -89.397
tors. eta vs tors. theta energy: -158.619
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: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1773.138709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.138709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.138709 (E_RNA)
where:
Base-Base interactions energy: -1224.903
where: short stacking energy: -481.749
Base-Backbone interact. energy: -3.493
local terms energy: -544.743104
where:
bonds (distance) C4'-P energy: -105.328
bonds (distance) P-C4' energy: -98.967
flat angles C4'-P-C4' energy: -121.862
flat angles P-C4'-P energy: -77.811
tors. eta vs tors. theta energy: -140.774
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: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1651.112893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.112893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.112893 (E_RNA)
where:
Base-Base interactions energy: -1143.074
where: short stacking energy: -468.788
Base-Backbone interact. energy: -1.474
local terms energy: -506.565020
where:
bonds (distance) C4'-P energy: -92.931
bonds (distance) P-C4' energy: -97.986
flat angles C4'-P-C4' energy: -114.952
flat angles P-C4'-P energy: -73.002
tors. eta vs tors. theta energy: -127.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1578.576143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.576143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.576143 (E_RNA)
where:
Base-Base interactions energy: -1080.499
where: short stacking energy: -482.103
Base-Backbone interact. energy: -1.398
local terms energy: -496.679139
where:
bonds (distance) C4'-P energy: -75.929
bonds (distance) P-C4' energy: -105.764
flat angles C4'-P-C4' energy: -112.663
flat angles P-C4'-P energy: -74.100
tors. eta vs tors. theta energy: -128.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1521.882245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.882245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.882245 (E_RNA)
where:
Base-Base interactions energy: -1058.678
where: short stacking energy: -454.928
Base-Backbone interact. energy: -4.023
local terms energy: -459.181414
where:
bonds (distance) C4'-P energy: -69.535
bonds (distance) P-C4' energy: -88.186
flat angles C4'-P-C4' energy: -104.754
flat angles P-C4'-P energy: -68.566
tors. eta vs tors. theta energy: -128.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1379.287312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.287312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.287312 (E_RNA)
where:
Base-Base interactions energy: -939.345
where: short stacking energy: -382.712
Base-Backbone interact. energy: -0.569
local terms energy: -439.373721
where:
bonds (distance) C4'-P energy: -98.105
bonds (distance) P-C4' energy: -102.260
flat angles C4'-P-C4' energy: -95.814
flat angles P-C4'-P energy: -56.561
tors. eta vs tors. theta energy: -86.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1253.283443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.283443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.283443 (E_RNA)
where:
Base-Base interactions energy: -854.267
where: short stacking energy: -370.972
Base-Backbone interact. energy: -2.567
local terms energy: -396.449008
where:
bonds (distance) C4'-P energy: -72.676
bonds (distance) P-C4' energy: -86.688
flat angles C4'-P-C4' energy: -93.711
flat angles P-C4'-P energy: -57.988
tors. eta vs tors. theta energy: -85.386
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: 136
Temperature: 1.300000
Total energy: -871.124709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.124709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.124709 (E_RNA)
where:
Base-Base interactions energy: -544.556
where: short stacking energy: -251.782
Base-Backbone interact. energy: -2.512
local terms energy: -324.056976
where:
bonds (distance) C4'-P energy: -78.818
bonds (distance) P-C4' energy: -116.214
flat angles C4'-P-C4' energy: -67.903
flat angles P-C4'-P energy: -36.963
tors. eta vs tors. theta energy: -24.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -554.349614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.349614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.349614 (E_RNA)
where:
Base-Base interactions energy: -226.461
where: short stacking energy: -169.298
Base-Backbone interact. energy: 1.012
local terms energy: -328.900698
where:
bonds (distance) C4'-P energy: -100.131
bonds (distance) P-C4' energy: -88.779
flat angles C4'-P-C4' energy: -80.966
flat angles P-C4'-P energy: -52.219
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1886.317679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.317679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.317679 (E_RNA)
where:
Base-Base interactions energy: -1305.804
where: short stacking energy: -554.532
Base-Backbone interact. energy: -0.717
local terms energy: -579.796235
where:
bonds (distance) C4'-P energy: -103.007
bonds (distance) P-C4' energy: -107.505
flat angles C4'-P-C4' energy: -123.938
flat angles P-C4'-P energy: -81.576
tors. eta vs tors. theta energy: -163.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1833.985064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.985064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.985064 (E_RNA)
where:
Base-Base interactions energy: -1245.052
where: short stacking energy: -536.636
Base-Backbone interact. energy: -2.486
local terms energy: -586.447735
where:
bonds (distance) C4'-P energy: -112.498
bonds (distance) P-C4' energy: -93.385
flat angles C4'-P-C4' energy: -129.426
flat angles P-C4'-P energy: -91.333
tors. eta vs tors. theta energy: -159.806
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: 3, replica: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1759.636546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.636546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.636546 (E_RNA)
where:
Base-Base interactions energy: -1207.058
where: short stacking energy: -480.829
Base-Backbone interact. energy: -2.310
local terms energy: -550.269254
where:
bonds (distance) C4'-P energy: -92.005
bonds (distance) P-C4' energy: -115.704
flat angles C4'-P-C4' energy: -118.572
flat angles P-C4'-P energy: -80.198
tors. eta vs tors. theta energy: -143.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1700.649721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.649721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.649721 (E_RNA)
where:
Base-Base interactions energy: -1166.584
where: short stacking energy: -514.821
Base-Backbone interact. energy: 0.451
local terms energy: -534.516779
where:
bonds (distance) C4'-P energy: -83.799
bonds (distance) P-C4' energy: -106.389
flat angles C4'-P-C4' energy: -119.318
flat angles P-C4'-P energy: -78.452
tors. eta vs tors. theta energy: -146.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1584.740082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.740082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.740082 (E_RNA)
where:
Base-Base interactions energy: -1084.020
where: short stacking energy: -446.362
Base-Backbone interact. energy: -2.890
local terms energy: -497.830561
where:
bonds (distance) C4'-P energy: -94.053
bonds (distance) P-C4' energy: -117.941
flat angles C4'-P-C4' energy: -115.910
flat angles P-C4'-P energy: -55.991
tors. eta vs tors. theta energy: -113.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1525.556462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.556462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.556462 (E_RNA)
where:
Base-Base interactions energy: -1036.005
where: short stacking energy: -433.317
Base-Backbone interact. energy: 0.643
local terms energy: -490.194312
where:
bonds (distance) C4'-P energy: -94.868
bonds (distance) P-C4' energy: -99.162
flat angles C4'-P-C4' energy: -109.201
flat angles P-C4'-P energy: -60.297
tors. eta vs tors. theta energy: -126.666
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: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1399.936215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.936215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.936215 (E_RNA)
where:
Base-Base interactions energy: -944.037
where: short stacking energy: -398.045
Base-Backbone interact. energy: 2.311
local terms energy: -458.209832
where:
bonds (distance) C4'-P energy: -91.874
bonds (distance) P-C4' energy: -88.244
flat angles C4'-P-C4' energy: -113.674
flat angles P-C4'-P energy: -61.802
tors. eta vs tors. theta energy: -102.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1238.578175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.578175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.578175 (E_RNA)
where:
Base-Base interactions energy: -815.036
where: short stacking energy: -373.316
Base-Backbone interact. energy: -0.801
local terms energy: -422.740767
where:
bonds (distance) C4'-P energy: -91.123
bonds (distance) P-C4' energy: -101.776
flat angles C4'-P-C4' energy: -93.142
flat angles P-C4'-P energy: -48.960
tors. eta vs tors. theta energy: -87.740
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: 137
Temperature: 1.300000
Total energy: -877.578648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.578648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.578648 (E_RNA)
where:
Base-Base interactions energy: -509.491
where: short stacking energy: -240.490
Base-Backbone interact. energy: 1.923
local terms energy: -370.011062
where:
bonds (distance) C4'-P energy: -101.413
bonds (distance) P-C4' energy: -98.727
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -52.542
tors. eta vs tors. theta energy: -27.019
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: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -497.224273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.224273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.224273 (E_RNA)
where:
Base-Base interactions energy: -203.010
where: short stacking energy: -132.961
Base-Backbone interact. energy: 5.100
local terms energy: -299.313936
where:
bonds (distance) C4'-P energy: -90.971
bonds (distance) P-C4' energy: -109.844
flat angles C4'-P-C4' energy: -78.325
flat angles P-C4'-P energy: -40.801
tors. eta vs tors. theta energy: 20.626
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: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1866.556255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.556255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.556255 (E_RNA)
where:
Base-Base interactions energy: -1263.413
where: short stacking energy: -540.595
Base-Backbone interact. energy: -0.834
local terms energy: -602.309046
where:
bonds (distance) C4'-P energy: -115.109
bonds (distance) P-C4' energy: -115.215
flat angles C4'-P-C4' energy: -128.551
flat angles P-C4'-P energy: -75.462
tors. eta vs tors. theta energy: -167.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1831.123510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.123510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.123510 (E_RNA)
where:
Base-Base interactions energy: -1251.332
where: short stacking energy: -566.168
Base-Backbone interact. energy: -0.755
local terms energy: -579.036489
where:
bonds (distance) C4'-P energy: -107.471
bonds (distance) P-C4' energy: -103.918
flat angles C4'-P-C4' energy: -116.023
flat angles P-C4'-P energy: -85.631
tors. eta vs tors. theta energy: -165.992
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: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1760.870437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.870437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.870437 (E_RNA)
where:
Base-Base interactions energy: -1219.570
where: short stacking energy: -498.095
Base-Backbone interact. energy: -2.235
local terms energy: -539.065584
where:
bonds (distance) C4'-P energy: -98.293
bonds (distance) P-C4' energy: -116.054
flat angles C4'-P-C4' energy: -116.347
flat angles P-C4'-P energy: -74.110
tors. eta vs tors. theta energy: -134.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1658.464390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.464390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.464390 (E_RNA)
where:
Base-Base interactions energy: -1136.252
where: short stacking energy: -470.037
Base-Backbone interact. energy: -3.332
local terms energy: -518.880213
where:
bonds (distance) C4'-P energy: -96.747
bonds (distance) P-C4' energy: -104.971
flat angles C4'-P-C4' energy: -118.286
flat angles P-C4'-P energy: -78.637
tors. eta vs tors. theta energy: -120.240
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: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1553.328105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.328105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.328105 (E_RNA)
where:
Base-Base interactions energy: -1085.670
where: short stacking energy: -446.414
Base-Backbone interact. energy: -2.699
local terms energy: -464.958795
where:
bonds (distance) C4'-P energy: -85.792
bonds (distance) P-C4' energy: -85.426
flat angles C4'-P-C4' energy: -117.467
flat angles P-C4'-P energy: -63.582
tors. eta vs tors. theta energy: -112.691
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: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1509.074530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.074530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.074530 (E_RNA)
where:
Base-Base interactions energy: -1018.442
where: short stacking energy: -428.327
Base-Backbone interact. energy: -2.335
local terms energy: -488.297479
where:
bonds (distance) C4'-P energy: -95.031
bonds (distance) P-C4' energy: -100.959
flat angles C4'-P-C4' energy: -115.169
flat angles P-C4'-P energy: -50.247
tors. eta vs tors. theta energy: -126.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1415.698566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.698566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.698566 (E_RNA)
where:
Base-Base interactions energy: -951.088
where: short stacking energy: -408.888
Base-Backbone interact. energy: -1.691
local terms energy: -462.919474
where:
bonds (distance) C4'-P energy: -91.288
bonds (distance) P-C4' energy: -93.248
flat angles C4'-P-C4' energy: -113.755
flat angles P-C4'-P energy: -62.799
tors. eta vs tors. theta energy: -101.831
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: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1185.155270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.155270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.155270 (E_RNA)
where:
Base-Base interactions energy: -771.388
where: short stacking energy: -352.881
Base-Backbone interact. energy: -0.780
local terms energy: -412.987489
where:
bonds (distance) C4'-P energy: -85.662
bonds (distance) P-C4' energy: -87.801
flat angles C4'-P-C4' energy: -104.511
flat angles P-C4'-P energy: -65.755
tors. eta vs tors. theta energy: -69.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -891.187904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.187904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.187904 (E_RNA)
where:
Base-Base interactions energy: -573.422
where: short stacking energy: -254.729
Base-Backbone interact. energy: 1.830
local terms energy: -319.596195
where:
bonds (distance) C4'-P energy: -87.933
bonds (distance) P-C4' energy: -90.495
flat angles C4'-P-C4' energy: -67.283
flat angles P-C4'-P energy: -43.637
tors. eta vs tors. theta energy: -30.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -524.683116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.683116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.683116 (E_RNA)
where:
Base-Base interactions energy: -240.369
where: short stacking energy: -147.300
Base-Backbone interact. energy: 2.448
local terms energy: -286.761796
where:
bonds (distance) C4'-P energy: -77.693
bonds (distance) P-C4' energy: -92.270
flat angles C4'-P-C4' energy: -69.027
flat angles P-C4'-P energy: -56.083
tors. eta vs tors. theta energy: 8.311
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: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1850.793384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.793384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.793384 (E_RNA)
where:
Base-Base interactions energy: -1262.842
where: short stacking energy: -536.995
Base-Backbone interact. energy: -5.326
local terms energy: -582.624877
where:
bonds (distance) C4'-P energy: -109.506
bonds (distance) P-C4' energy: -117.776
flat angles C4'-P-C4' energy: -115.010
flat angles P-C4'-P energy: -89.013
tors. eta vs tors. theta energy: -151.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1825.273983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.273983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.273983 (E_RNA)
where:
Base-Base interactions energy: -1232.814
where: short stacking energy: -545.801
Base-Backbone interact. energy: -2.291
local terms energy: -590.169036
where:
bonds (distance) C4'-P energy: -113.778
bonds (distance) P-C4' energy: -109.428
flat angles C4'-P-C4' energy: -121.464
flat angles P-C4'-P energy: -84.679
tors. eta vs tors. theta energy: -160.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1761.604415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.604415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.604415 (E_RNA)
where:
Base-Base interactions energy: -1234.375
where: short stacking energy: -498.868
Base-Backbone interact. energy: -1.808
local terms energy: -525.421625
where:
bonds (distance) C4'-P energy: -103.297
bonds (distance) P-C4' energy: -101.001
flat angles C4'-P-C4' energy: -120.063
flat angles P-C4'-P energy: -73.029
tors. eta vs tors. theta energy: -128.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1639.390705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.390705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.390705 (E_RNA)
where:
Base-Base interactions energy: -1129.799
where: short stacking energy: -470.776
Base-Backbone interact. energy: -3.001
local terms energy: -506.590709
where:
bonds (distance) C4'-P energy: -92.283
bonds (distance) P-C4' energy: -95.304
flat angles C4'-P-C4' energy: -103.321
flat angles P-C4'-P energy: -84.643
tors. eta vs tors. theta energy: -131.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1600.967448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.967448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.967448 (E_RNA)
where:
Base-Base interactions energy: -1096.919
where: short stacking energy: -483.763
Base-Backbone interact. energy: -0.721
local terms energy: -503.326735
where:
bonds (distance) C4'-P energy: -104.004
bonds (distance) P-C4' energy: -89.922
flat angles C4'-P-C4' energy: -105.709
flat angles P-C4'-P energy: -75.026
tors. eta vs tors. theta energy: -128.666
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: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1516.615896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.615896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.615896 (E_RNA)
where:
Base-Base interactions energy: -1024.403
where: short stacking energy: -426.523
Base-Backbone interact. energy: 3.916
local terms energy: -496.129579
where:
bonds (distance) C4'-P energy: -95.571
bonds (distance) P-C4' energy: -92.710
flat angles C4'-P-C4' energy: -109.612
flat angles P-C4'-P energy: -76.640
tors. eta vs tors. theta energy: -121.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1394.072398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.072398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.072398 (E_RNA)
where:
Base-Base interactions energy: -984.936
where: short stacking energy: -400.588
Base-Backbone interact. energy: 0.559
local terms energy: -409.695436
where:
bonds (distance) C4'-P energy: -56.021
bonds (distance) P-C4' energy: -92.428
flat angles C4'-P-C4' energy: -100.042
flat angles P-C4'-P energy: -57.948
tors. eta vs tors. theta energy: -103.257
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: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1205.262742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.262742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.262742 (E_RNA)
where:
Base-Base interactions energy: -794.247
where: short stacking energy: -344.878
Base-Backbone interact. energy: 3.150
local terms energy: -414.166409
where:
bonds (distance) C4'-P energy: -76.931
bonds (distance) P-C4' energy: -109.436
flat angles C4'-P-C4' energy: -105.592
flat angles P-C4'-P energy: -44.247
tors. eta vs tors. theta energy: -77.961
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: 139
Temperature: 1.300000
Total energy: -931.583639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.583639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.583639 (E_RNA)
where:
Base-Base interactions energy: -571.410
where: short stacking energy: -294.041
Base-Backbone interact. energy: 3.560
local terms energy: -363.733196
where:
bonds (distance) C4'-P energy: -70.830
bonds (distance) P-C4' energy: -89.509
flat angles C4'-P-C4' energy: -93.707
flat angles P-C4'-P energy: -48.075
tors. eta vs tors. theta energy: -61.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -597.656969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.656969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.656969 (E_RNA)
where:
Base-Base interactions energy: -289.013
where: short stacking energy: -168.694
Base-Backbone interact. energy: 1.084
local terms energy: -309.727969
where:
bonds (distance) C4'-P energy: -86.232
bonds (distance) P-C4' energy: -109.936
flat angles C4'-P-C4' energy: -69.753
flat angles P-C4'-P energy: -34.372
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1879.769626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.769626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.769626 (E_RNA)
where:
Base-Base interactions energy: -1299.549
where: short stacking energy: -557.136
Base-Backbone interact. energy: -1.760
local terms energy: -578.460945
where:
bonds (distance) C4'-P energy: -107.329
bonds (distance) P-C4' energy: -111.448
flat angles C4'-P-C4' energy: -127.206
flat angles P-C4'-P energy: -84.271
tors. eta vs tors. theta energy: -148.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1827.946209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.946209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.946209 (E_RNA)
where:
Base-Base interactions energy: -1266.145
where: short stacking energy: -519.887
Base-Backbone interact. energy: -0.001
local terms energy: -561.800534
where:
bonds (distance) C4'-P energy: -98.396
bonds (distance) P-C4' energy: -103.286
flat angles C4'-P-C4' energy: -120.784
flat angles P-C4'-P energy: -76.024
tors. eta vs tors. theta energy: -163.310
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: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1753.008094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.008094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.008094 (E_RNA)
where:
Base-Base interactions energy: -1223.373
where: short stacking energy: -480.893
Base-Backbone interact. energy: -3.623
local terms energy: -526.012912
where:
bonds (distance) C4'-P energy: -102.754
bonds (distance) P-C4' energy: -107.605
flat angles C4'-P-C4' energy: -114.647
flat angles P-C4'-P energy: -67.216
tors. eta vs tors. theta energy: -133.789
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: 140
Temperature: 1.050000
Total energy: -1666.862338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.862338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.862338 (E_RNA)
where:
Base-Base interactions energy: -1149.196
where: short stacking energy: -486.993
Base-Backbone interact. energy: -3.308
local terms energy: -514.358060
where:
bonds (distance) C4'-P energy: -104.025
bonds (distance) P-C4' energy: -94.582
flat angles C4'-P-C4' energy: -107.981
flat angles P-C4'-P energy: -74.659
tors. eta vs tors. theta energy: -133.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1553.903277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.903277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.903277 (E_RNA)
where:
Base-Base interactions energy: -1060.054
where: short stacking energy: -447.893
Base-Backbone interact. energy: -2.419
local terms energy: -491.430277
where:
bonds (distance) C4'-P energy: -91.092
bonds (distance) P-C4' energy: -101.389
flat angles C4'-P-C4' energy: -97.395
flat angles P-C4'-P energy: -74.346
tors. eta vs tors. theta energy: -127.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1509.778308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.778308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.778308 (E_RNA)
where:
Base-Base interactions energy: -1038.087
where: short stacking energy: -423.714
Base-Backbone interact. energy: -2.041
local terms energy: -469.650291
where:
bonds (distance) C4'-P energy: -79.523
bonds (distance) P-C4' energy: -92.153
flat angles C4'-P-C4' energy: -106.952
flat angles P-C4'-P energy: -78.269
tors. eta vs tors. theta energy: -112.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1355.973876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.973876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.973876 (E_RNA)
where:
Base-Base interactions energy: -912.077
where: short stacking energy: -387.723
Base-Backbone interact. energy: -2.852
local terms energy: -441.044500
where:
bonds (distance) C4'-P energy: -76.302
bonds (distance) P-C4' energy: -97.037
flat angles C4'-P-C4' energy: -101.639
flat angles P-C4'-P energy: -69.749
tors. eta vs tors. theta energy: -96.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1267.643729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.643729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.643729 (E_RNA)
where:
Base-Base interactions energy: -857.293
where: short stacking energy: -382.373
Base-Backbone interact. energy: 1.340
local terms energy: -411.690467
where:
bonds (distance) C4'-P energy: -81.128
bonds (distance) P-C4' energy: -91.330
flat angles C4'-P-C4' energy: -96.581
flat angles P-C4'-P energy: -57.147
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: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -838.330790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.330790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.330790 (E_RNA)
where:
Base-Base interactions energy: -499.712
where: short stacking energy: -223.803
Base-Backbone interact. energy: 1.838
local terms energy: -340.456786
where:
bonds (distance) C4'-P energy: -102.531
bonds (distance) P-C4' energy: -91.516
flat angles C4'-P-C4' energy: -75.514
flat angles P-C4'-P energy: -58.668
tors. eta vs tors. theta energy: -12.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -582.008026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.008026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.008026 (E_RNA)
where:
Base-Base interactions energy: -281.409
where: short stacking energy: -155.255
Base-Backbone interact. energy: -1.971
local terms energy: -298.628105
where:
bonds (distance) C4'-P energy: -97.258
bonds (distance) P-C4' energy: -108.269
flat angles C4'-P-C4' energy: -53.603
flat angles P-C4'-P energy: -44.448
tors. eta vs tors. theta energy: 4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1888.885011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.885011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.885011 (E_RNA)
where:
Base-Base interactions energy: -1293.810
where: short stacking energy: -567.004
Base-Backbone interact. energy: -1.178
local terms energy: -593.897258
where:
bonds (distance) C4'-P energy: -99.828
bonds (distance) P-C4' energy: -119.433
flat angles C4'-P-C4' energy: -122.320
flat angles P-C4'-P energy: -81.371
tors. eta vs tors. theta energy: -170.946
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: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1830.149507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.149507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.149507 (E_RNA)
where:
Base-Base interactions energy: -1252.427
where: short stacking energy: -524.175
Base-Backbone interact. energy: -4.235
local terms energy: -573.487352
where:
bonds (distance) C4'-P energy: -117.157
bonds (distance) P-C4' energy: -106.481
flat angles C4'-P-C4' energy: -122.949
flat angles P-C4'-P energy: -74.135
tors. eta vs tors. theta energy: -152.766
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: 141
Temperature: 1.000000
Total energy: -1735.435710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.435710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.435710 (E_RNA)
where:
Base-Base interactions energy: -1198.704
where: short stacking energy: -511.899
Base-Backbone interact. energy: -3.202
local terms energy: -533.529617
where:
bonds (distance) C4'-P energy: -100.031
bonds (distance) P-C4' energy: -99.377
flat angles C4'-P-C4' energy: -105.554
flat angles P-C4'-P energy: -71.540
tors. eta vs tors. theta energy: -157.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1671.566303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.566303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.566303 (E_RNA)
where:
Base-Base interactions energy: -1124.696
where: short stacking energy: -503.378
Base-Backbone interact. energy: -1.824
local terms energy: -545.046480
where:
bonds (distance) C4'-P energy: -103.509
bonds (distance) P-C4' energy: -93.265
flat angles C4'-P-C4' energy: -123.945
flat angles P-C4'-P energy: -74.597
tors. eta vs tors. theta energy: -149.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1554.302182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.302182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.302182 (E_RNA)
where:
Base-Base interactions energy: -1047.666
where: short stacking energy: -470.021
Base-Backbone interact. energy: 0.321
local terms energy: -506.957070
where:
bonds (distance) C4'-P energy: -90.065
bonds (distance) P-C4' energy: -100.336
flat angles C4'-P-C4' energy: -116.872
flat angles P-C4'-P energy: -72.064
tors. eta vs tors. theta energy: -127.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1506.949469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.949469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.949469 (E_RNA)
where:
Base-Base interactions energy: -1023.084
where: short stacking energy: -419.206
Base-Backbone interact. energy: -2.591
local terms energy: -481.274284
where:
bonds (distance) C4'-P energy: -84.156
bonds (distance) P-C4' energy: -101.165
flat angles C4'-P-C4' energy: -108.570
flat angles P-C4'-P energy: -71.460
tors. eta vs tors. theta energy: -115.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1376.990188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.990188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.990188 (E_RNA)
where:
Base-Base interactions energy: -946.090
where: short stacking energy: -383.532
Base-Backbone interact. energy: 0.604
local terms energy: -431.504548
where:
bonds (distance) C4'-P energy: -79.952
bonds (distance) P-C4' energy: -91.718
flat angles C4'-P-C4' energy: -100.779
flat angles P-C4'-P energy: -61.363
tors. eta vs tors. theta energy: -97.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1256.657819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.657819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.657819 (E_RNA)
where:
Base-Base interactions energy: -835.527
where: short stacking energy: -335.939
Base-Backbone interact. energy: -0.424
local terms energy: -420.706625
where:
bonds (distance) C4'-P energy: -95.436
bonds (distance) P-C4' energy: -87.882
flat angles C4'-P-C4' energy: -107.654
flat angles P-C4'-P energy: -60.932
tors. eta vs tors. theta energy: -68.803
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: 141
Temperature: 1.300000
Total energy: -865.081003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.081003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.081003 (E_RNA)
where:
Base-Base interactions energy: -511.987
where: short stacking energy: -272.448
Base-Backbone interact. energy: 1.115
local terms energy: -354.208870
where:
bonds (distance) C4'-P energy: -94.794
bonds (distance) P-C4' energy: -84.005
flat angles C4'-P-C4' energy: -67.536
flat angles P-C4'-P energy: -58.523
tors. eta vs tors. theta energy: -49.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -589.678910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.678910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.678910 (E_RNA)
where:
Base-Base interactions energy: -319.593
where: short stacking energy: -167.954
Base-Backbone interact. energy: 8.795
local terms energy: -278.881151
where:
bonds (distance) C4'-P energy: -88.647
bonds (distance) P-C4' energy: -84.780
flat angles C4'-P-C4' energy: -72.477
flat angles P-C4'-P energy: -35.350
tors. eta vs tors. theta energy: 2.374
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: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1911.816978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.816978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.816978 (E_RNA)
where:
Base-Base interactions energy: -1304.600
where: short stacking energy: -583.111
Base-Backbone interact. energy: 0.234
local terms energy: -607.450884
where:
bonds (distance) C4'-P energy: -105.427
bonds (distance) P-C4' energy: -120.805
flat angles C4'-P-C4' energy: -125.807
flat angles P-C4'-P energy: -83.311
tors. eta vs tors. theta energy: -172.101
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: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1828.947399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.947399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.947399 (E_RNA)
where:
Base-Base interactions energy: -1241.174
where: short stacking energy: -528.832
Base-Backbone interact. energy: -0.429
local terms energy: -587.344670
where:
bonds (distance) C4'-P energy: -120.665
bonds (distance) P-C4' energy: -116.376
flat angles C4'-P-C4' energy: -117.413
flat angles P-C4'-P energy: -81.944
tors. eta vs tors. theta energy: -150.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1768.281328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.281328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.281328 (E_RNA)
where:
Base-Base interactions energy: -1206.556
where: short stacking energy: -496.448
Base-Backbone interact. energy: -3.246
local terms energy: -558.479973
where:
bonds (distance) C4'-P energy: -109.947
bonds (distance) P-C4' energy: -98.331
flat angles C4'-P-C4' energy: -118.733
flat angles P-C4'-P energy: -80.949
tors. eta vs tors. theta energy: -150.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1670.498489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.498489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.498489 (E_RNA)
where:
Base-Base interactions energy: -1148.524
where: short stacking energy: -499.527
Base-Backbone interact. energy: -0.942
local terms energy: -521.032217
where:
bonds (distance) C4'-P energy: -97.433
bonds (distance) P-C4' energy: -99.247
flat angles C4'-P-C4' energy: -105.485
flat angles P-C4'-P energy: -78.172
tors. eta vs tors. theta energy: -140.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1541.035776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.035776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.035776 (E_RNA)
where:
Base-Base interactions energy: -1035.700
where: short stacking energy: -424.550
Base-Backbone interact. energy: -3.516
local terms energy: -501.819219
where:
bonds (distance) C4'-P energy: -108.547
bonds (distance) P-C4' energy: -94.774
flat angles C4'-P-C4' energy: -111.154
flat angles P-C4'-P energy: -70.348
tors. eta vs tors. theta energy: -116.997
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: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1510.127143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.127143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.127143 (E_RNA)
where:
Base-Base interactions energy: -1051.076
where: short stacking energy: -438.325
Base-Backbone interact. energy: 1.630
local terms energy: -460.681467
where:
bonds (distance) C4'-P energy: -83.065
bonds (distance) P-C4' energy: -96.950
flat angles C4'-P-C4' energy: -95.383
flat angles P-C4'-P energy: -71.007
tors. eta vs tors. theta energy: -114.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1403.816670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.816670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.816670 (E_RNA)
where:
Base-Base interactions energy: -938.884
where: short stacking energy: -395.084
Base-Backbone interact. energy: -2.033
local terms energy: -462.899371
where:
bonds (distance) C4'-P energy: -91.174
bonds (distance) P-C4' energy: -91.511
flat angles C4'-P-C4' energy: -103.918
flat angles P-C4'-P energy: -75.441
tors. eta vs tors. theta energy: -100.856
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: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1279.011269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.011269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.011269 (E_RNA)
where:
Base-Base interactions energy: -841.881
where: short stacking energy: -374.557
Base-Backbone interact. energy: 0.884
local terms energy: -438.014164
where:
bonds (distance) C4'-P energy: -95.608
bonds (distance) P-C4' energy: -90.402
flat angles C4'-P-C4' energy: -94.126
flat angles P-C4'-P energy: -64.828
tors. eta vs tors. theta energy: -93.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -859.761409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.761409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.761409 (E_RNA)
where:
Base-Base interactions energy: -510.502
where: short stacking energy: -241.048
Base-Backbone interact. energy: -1.786
local terms energy: -347.474045
where:
bonds (distance) C4'-P energy: -82.768
bonds (distance) P-C4' energy: -79.177
flat angles C4'-P-C4' energy: -91.749
flat angles P-C4'-P energy: -61.153
tors. eta vs tors. theta energy: -32.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -576.794592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.794592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.794592 (E_RNA)
where:
Base-Base interactions energy: -280.794
where: short stacking energy: -169.907
Base-Backbone interact. energy: 2.369
local terms energy: -298.368931
where:
bonds (distance) C4'-P energy: -80.400
bonds (distance) P-C4' energy: -104.931
flat angles C4'-P-C4' energy: -61.910
flat angles P-C4'-P energy: -49.316
tors. eta vs tors. theta energy: -1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1915.331111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.331111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.331111 (E_RNA)
where:
Base-Base interactions energy: -1332.285
where: short stacking energy: -566.759
Base-Backbone interact. energy: -4.055
local terms energy: -578.991096
where:
bonds (distance) C4'-P energy: -98.871
bonds (distance) P-C4' energy: -112.090
flat angles C4'-P-C4' energy: -124.445
flat angles P-C4'-P energy: -80.771
tors. eta vs tors. theta energy: -162.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1821.060453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.060453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.060453 (E_RNA)
where:
Base-Base interactions energy: -1266.695
where: short stacking energy: -533.096
Base-Backbone interact. energy: -2.685
local terms energy: -551.681043
where:
bonds (distance) C4'-P energy: -96.784
bonds (distance) P-C4' energy: -115.561
flat angles C4'-P-C4' energy: -114.661
flat angles P-C4'-P energy: -67.077
tors. eta vs tors. theta energy: -157.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1764.755318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.755318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.755318 (E_RNA)
where:
Base-Base interactions energy: -1210.894
where: short stacking energy: -478.072
Base-Backbone interact. energy: -2.383
local terms energy: -551.478852
where:
bonds (distance) C4'-P energy: -114.508
bonds (distance) P-C4' energy: -101.026
flat angles C4'-P-C4' energy: -122.627
flat angles P-C4'-P energy: -76.033
tors. eta vs tors. theta energy: -137.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1629.958058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.958058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.958058 (E_RNA)
where:
Base-Base interactions energy: -1119.135
where: short stacking energy: -475.526
Base-Backbone interact. energy: 0.472
local terms energy: -511.295673
where:
bonds (distance) C4'-P energy: -89.546
bonds (distance) P-C4' energy: -97.412
flat angles C4'-P-C4' energy: -116.269
flat angles P-C4'-P energy: -74.807
tors. eta vs tors. theta energy: -133.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1545.071997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.071997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.071997 (E_RNA)
where:
Base-Base interactions energy: -1053.435
where: short stacking energy: -433.642
Base-Backbone interact. energy: -1.428
local terms energy: -490.208693
where:
bonds (distance) C4'-P energy: -98.859
bonds (distance) P-C4' energy: -100.644
flat angles C4'-P-C4' energy: -90.964
flat angles P-C4'-P energy: -76.363
tors. eta vs tors. theta energy: -123.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1502.183674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.183674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.183674 (E_RNA)
where:
Base-Base interactions energy: -1044.507
where: short stacking energy: -422.927
Base-Backbone interact. energy: 5.968
local terms energy: -463.644354
where:
bonds (distance) C4'-P energy: -104.665
bonds (distance) P-C4' energy: -94.881
flat angles C4'-P-C4' energy: -95.636
flat angles P-C4'-P energy: -60.466
tors. eta vs tors. theta energy: -107.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1380.949055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.949055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.949055 (E_RNA)
where:
Base-Base interactions energy: -950.653
where: short stacking energy: -391.105
Base-Backbone interact. energy: -1.120
local terms energy: -429.176298
where:
bonds (distance) C4'-P energy: -89.882
bonds (distance) P-C4' energy: -80.142
flat angles C4'-P-C4' energy: -102.542
flat angles P-C4'-P energy: -63.387
tors. eta vs tors. theta energy: -93.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1266.151845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.151845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.151845 (E_RNA)
where:
Base-Base interactions energy: -811.516
where: short stacking energy: -338.825
Base-Backbone interact. energy: -2.031
local terms energy: -452.605389
where:
bonds (distance) C4'-P energy: -86.025
bonds (distance) P-C4' energy: -104.793
flat angles C4'-P-C4' energy: -100.523
flat angles P-C4'-P energy: -72.189
tors. eta vs tors. theta energy: -89.075
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: 143
Temperature: 1.300000
Total energy: -880.951106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.951106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.951106 (E_RNA)
where:
Base-Base interactions energy: -524.548
where: short stacking energy: -253.839
Base-Backbone interact. energy: 0.085
local terms energy: -356.487203
where:
bonds (distance) C4'-P energy: -79.529
bonds (distance) P-C4' energy: -90.178
flat angles C4'-P-C4' energy: -90.811
flat angles P-C4'-P energy: -63.387
tors. eta vs tors. theta energy: -32.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -570.272851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.272851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.272851 (E_RNA)
where:
Base-Base interactions energy: -282.587
where: short stacking energy: -153.101
Base-Backbone interact. energy: -0.917
local terms energy: -286.768680
where:
bonds (distance) C4'-P energy: -88.187
bonds (distance) P-C4' energy: -97.932
flat angles C4'-P-C4' energy: -61.386
flat angles P-C4'-P energy: -41.607
tors. eta vs tors. theta energy: 2.344
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: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1891.516448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.516448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.516448 (E_RNA)
where:
Base-Base interactions energy: -1299.571
where: short stacking energy: -559.968
Base-Backbone interact. energy: -1.723
local terms energy: -590.222673
where:
bonds (distance) C4'-P energy: -108.204
bonds (distance) P-C4' energy: -91.556
flat angles C4'-P-C4' energy: -127.305
flat angles P-C4'-P energy: -94.044
tors. eta vs tors. theta energy: -169.113
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: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1841.574554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.574554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.574554 (E_RNA)
where:
Base-Base interactions energy: -1281.208
where: short stacking energy: -518.310
Base-Backbone interact. energy: -3.536
local terms energy: -556.830551
where:
bonds (distance) C4'-P energy: -107.953
bonds (distance) P-C4' energy: -107.176
flat angles C4'-P-C4' energy: -105.061
flat angles P-C4'-P energy: -76.396
tors. eta vs tors. theta energy: -160.246
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: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1756.100052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.100052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.100052 (E_RNA)
where:
Base-Base interactions energy: -1223.256
where: short stacking energy: -494.899
Base-Backbone interact. energy: 3.197
local terms energy: -536.040930
where:
bonds (distance) C4'-P energy: -101.025
bonds (distance) P-C4' energy: -99.314
flat angles C4'-P-C4' energy: -117.485
flat angles P-C4'-P energy: -78.857
tors. eta vs tors. theta energy: -139.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1656.463030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.463030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.463030 (E_RNA)
where:
Base-Base interactions energy: -1137.160
where: short stacking energy: -483.531
Base-Backbone interact. energy: 2.138
local terms energy: -521.440615
where:
bonds (distance) C4'-P energy: -86.110
bonds (distance) P-C4' energy: -106.810
flat angles C4'-P-C4' energy: -113.220
flat angles P-C4'-P energy: -76.438
tors. eta vs tors. theta energy: -138.863
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: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1536.327265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.327265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.327265 (E_RNA)
where:
Base-Base interactions energy: -1047.697
where: short stacking energy: -439.218
Base-Backbone interact. energy: -1.461
local terms energy: -487.168429
where:
bonds (distance) C4'-P energy: -97.311
bonds (distance) P-C4' energy: -90.149
flat angles C4'-P-C4' energy: -109.339
flat angles P-C4'-P energy: -67.241
tors. eta vs tors. theta energy: -123.128
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: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1500.079181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.079181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.079181 (E_RNA)
where:
Base-Base interactions energy: -1051.523
where: short stacking energy: -398.125
Base-Backbone interact. energy: 3.549
local terms energy: -452.105156
where:
bonds (distance) C4'-P energy: -83.215
bonds (distance) P-C4' energy: -92.314
flat angles C4'-P-C4' energy: -106.173
flat angles P-C4'-P energy: -72.995
tors. eta vs tors. theta energy: -97.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1389.082622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.082622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.082622 (E_RNA)
where:
Base-Base interactions energy: -947.855
where: short stacking energy: -383.679
Base-Backbone interact. energy: -2.422
local terms energy: -438.805781
where:
bonds (distance) C4'-P energy: -76.249
bonds (distance) P-C4' energy: -85.490
flat angles C4'-P-C4' energy: -109.130
flat angles P-C4'-P energy: -76.382
tors. eta vs tors. theta energy: -91.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1252.672925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.672925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.672925 (E_RNA)
where:
Base-Base interactions energy: -836.465
where: short stacking energy: -352.410
Base-Backbone interact. energy: 2.928
local terms energy: -419.136099
where:
bonds (distance) C4'-P energy: -92.529
bonds (distance) P-C4' energy: -95.405
flat angles C4'-P-C4' energy: -95.083
flat angles P-C4'-P energy: -55.293
tors. eta vs tors. theta energy: -80.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -877.702528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.702528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.702528 (E_RNA)
where:
Base-Base interactions energy: -515.657
where: short stacking energy: -257.764
Base-Backbone interact. energy: -1.854
local terms energy: -360.191310
where:
bonds (distance) C4'-P energy: -97.588
bonds (distance) P-C4' energy: -100.563
flat angles C4'-P-C4' energy: -78.925
flat angles P-C4'-P energy: -53.714
tors. eta vs tors. theta energy: -29.401
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: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -610.516701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.516701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.516701 (E_RNA)
where:
Base-Base interactions energy: -303.178
where: short stacking energy: -177.431
Base-Backbone interact. energy: -2.044
local terms energy: -305.294603
where:
bonds (distance) C4'-P energy: -91.125
bonds (distance) P-C4' energy: -104.161
flat angles C4'-P-C4' energy: -72.858
flat angles P-C4'-P energy: -38.052
tors. eta vs tors. theta energy: 0.902
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: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1901.079193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.079193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.079193 (E_RNA)
where:
Base-Base interactions energy: -1298.364
where: short stacking energy: -567.554
Base-Backbone interact. energy: 0.342
local terms energy: -603.056831
where:
bonds (distance) C4'-P energy: -106.035
bonds (distance) P-C4' energy: -109.442
flat angles C4'-P-C4' energy: -118.421
flat angles P-C4'-P energy: -93.906
tors. eta vs tors. theta energy: -175.253
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: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1811.271868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.271868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.271868 (E_RNA)
where:
Base-Base interactions energy: -1225.542
where: short stacking energy: -528.790
Base-Backbone interact. energy: -3.855
local terms energy: -581.875247
where:
bonds (distance) C4'-P energy: -104.681
bonds (distance) P-C4' energy: -103.928
flat angles C4'-P-C4' energy: -125.975
flat angles P-C4'-P energy: -84.563
tors. eta vs tors. theta energy: -162.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1767.200779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.200779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.200779 (E_RNA)
where:
Base-Base interactions energy: -1240.321
where: short stacking energy: -513.199
Base-Backbone interact. energy: 0.963
local terms energy: -527.842594
where:
bonds (distance) C4'-P energy: -98.325
bonds (distance) P-C4' energy: -110.293
flat angles C4'-P-C4' energy: -110.089
flat angles P-C4'-P energy: -81.486
tors. eta vs tors. theta energy: -127.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1690.227048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.227048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.227048 (E_RNA)
where:
Base-Base interactions energy: -1160.306
where: short stacking energy: -490.135
Base-Backbone interact. energy: -3.115
local terms energy: -526.806039
where:
bonds (distance) C4'-P energy: -92.530
bonds (distance) P-C4' energy: -106.899
flat angles C4'-P-C4' energy: -110.662
flat angles P-C4'-P energy: -72.984
tors. eta vs tors. theta energy: -143.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1608.656202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.656202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.656202 (E_RNA)
where:
Base-Base interactions energy: -1094.435
where: short stacking energy: -463.685
Base-Backbone interact. energy: -3.609
local terms energy: -510.612294
where:
bonds (distance) C4'-P energy: -77.527
bonds (distance) P-C4' energy: -115.146
flat angles C4'-P-C4' energy: -105.645
flat angles P-C4'-P energy: -85.452
tors. eta vs tors. theta energy: -126.843
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: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1505.047119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.047119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.047119 (E_RNA)
where:
Base-Base interactions energy: -1039.353
where: short stacking energy: -429.898
Base-Backbone interact. energy: -1.205
local terms energy: -464.489222
where:
bonds (distance) C4'-P energy: -94.582
bonds (distance) P-C4' energy: -95.126
flat angles C4'-P-C4' energy: -88.888
flat angles P-C4'-P energy: -70.420
tors. eta vs tors. theta energy: -115.474
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: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1401.640901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.640901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.640901 (E_RNA)
where:
Base-Base interactions energy: -951.123
where: short stacking energy: -404.707
Base-Backbone interact. energy: -3.196
local terms energy: -447.322411
where:
bonds (distance) C4'-P energy: -88.048
bonds (distance) P-C4' energy: -93.462
flat angles C4'-P-C4' energy: -94.433
flat angles P-C4'-P energy: -69.795
tors. eta vs tors. theta energy: -101.585
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: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1285.763409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.763409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.763409 (E_RNA)
where:
Base-Base interactions energy: -845.567
where: short stacking energy: -373.475
Base-Backbone interact. energy: -0.589
local terms energy: -439.607193
where:
bonds (distance) C4'-P energy: -96.927
bonds (distance) P-C4' energy: -97.281
flat angles C4'-P-C4' energy: -93.895
flat angles P-C4'-P energy: -65.027
tors. eta vs tors. theta energy: -86.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -922.280283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.280283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.280283 (E_RNA)
where:
Base-Base interactions energy: -567.080
where: short stacking energy: -253.467
Base-Backbone interact. energy: 1.160
local terms energy: -356.360243
where:
bonds (distance) C4'-P energy: -88.806
bonds (distance) P-C4' energy: -96.638
flat angles C4'-P-C4' energy: -84.518
flat angles P-C4'-P energy: -50.952
tors. eta vs tors. theta energy: -35.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -615.563909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.563909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.563909 (E_RNA)
where:
Base-Base interactions energy: -302.097
where: short stacking energy: -149.846
Base-Backbone interact. energy: 9.233
local terms energy: -322.699700
where:
bonds (distance) C4'-P energy: -105.350
bonds (distance) P-C4' energy: -95.780
flat angles C4'-P-C4' energy: -84.795
flat angles P-C4'-P energy: -38.493
tors. eta vs tors. theta energy: 1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1874.171788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.171788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.171788 (E_RNA)
where:
Base-Base interactions energy: -1269.306
where: short stacking energy: -562.344
Base-Backbone interact. energy: 2.810
local terms energy: -607.675612
where:
bonds (distance) C4'-P energy: -106.544
bonds (distance) P-C4' energy: -108.415
flat angles C4'-P-C4' energy: -129.775
flat angles P-C4'-P energy: -86.382
tors. eta vs tors. theta energy: -176.559
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: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1794.075915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.075915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.075915 (E_RNA)
where:
Base-Base interactions energy: -1222.530
where: short stacking energy: -505.522
Base-Backbone interact. energy: -3.580
local terms energy: -567.966285
where:
bonds (distance) C4'-P energy: -109.565
bonds (distance) P-C4' energy: -114.068
flat angles C4'-P-C4' energy: -121.129
flat angles P-C4'-P energy: -74.833
tors. eta vs tors. theta energy: -148.372
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: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1779.152639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.152639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.152639 (E_RNA)
where:
Base-Base interactions energy: -1244.103
where: short stacking energy: -500.915
Base-Backbone interact. energy: -0.829
local terms energy: -534.220737
where:
bonds (distance) C4'-P energy: -105.771
bonds (distance) P-C4' energy: -102.628
flat angles C4'-P-C4' energy: -111.462
flat angles P-C4'-P energy: -75.318
tors. eta vs tors. theta energy: -139.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1637.843837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.843837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.843837 (E_RNA)
where:
Base-Base interactions energy: -1148.188
where: short stacking energy: -486.923
Base-Backbone interact. energy: -3.878
local terms energy: -485.777775
where:
bonds (distance) C4'-P energy: -105.319
bonds (distance) P-C4' energy: -82.500
flat angles C4'-P-C4' energy: -103.019
flat angles P-C4'-P energy: -68.260
tors. eta vs tors. theta energy: -126.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1623.994024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.994024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.994024 (E_RNA)
where:
Base-Base interactions energy: -1120.193
where: short stacking energy: -470.237
Base-Backbone interact. energy: 1.698
local terms energy: -505.498167
where:
bonds (distance) C4'-P energy: -97.373
bonds (distance) P-C4' energy: -93.071
flat angles C4'-P-C4' energy: -115.263
flat angles P-C4'-P energy: -68.504
tors. eta vs tors. theta energy: -131.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1518.450292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.450292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.450292 (E_RNA)
where:
Base-Base interactions energy: -1023.208
where: short stacking energy: -447.766
Base-Backbone interact. energy: 1.196
local terms energy: -496.438084
where:
bonds (distance) C4'-P energy: -105.983
bonds (distance) P-C4' energy: -88.058
flat angles C4'-P-C4' energy: -110.311
flat angles P-C4'-P energy: -75.990
tors. eta vs tors. theta energy: -116.097
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: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1398.250112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.250112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.250112 (E_RNA)
where:
Base-Base interactions energy: -930.640
where: short stacking energy: -381.487
Base-Backbone interact. energy: 0.301
local terms energy: -467.911734
where:
bonds (distance) C4'-P energy: -101.969
bonds (distance) P-C4' energy: -106.690
flat angles C4'-P-C4' energy: -103.336
flat angles P-C4'-P energy: -69.981
tors. eta vs tors. theta energy: -85.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1224.393591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.393591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.393591 (E_RNA)
where:
Base-Base interactions energy: -826.501
where: short stacking energy: -359.024
Base-Backbone interact. energy: 0.488
local terms energy: -398.380076
where:
bonds (distance) C4'-P energy: -84.176
bonds (distance) P-C4' energy: -106.092
flat angles C4'-P-C4' energy: -82.380
flat angles P-C4'-P energy: -51.039
tors. eta vs tors. theta energy: -74.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -926.420792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.420792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.420792 (E_RNA)
where:
Base-Base interactions energy: -586.582
where: short stacking energy: -280.915
Base-Backbone interact. energy: 1.516
local terms energy: -341.354487
where:
bonds (distance) C4'-P energy: -96.797
bonds (distance) P-C4' energy: -79.656
flat angles C4'-P-C4' energy: -84.211
flat angles P-C4'-P energy: -39.739
tors. eta vs tors. theta energy: -40.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -596.146020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.146020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.146020 (E_RNA)
where:
Base-Base interactions energy: -292.765
where: short stacking energy: -167.371
Base-Backbone interact. energy: 0.670
local terms energy: -304.051070
where:
bonds (distance) C4'-P energy: -89.267
bonds (distance) P-C4' energy: -84.911
flat angles C4'-P-C4' energy: -87.979
flat angles P-C4'-P energy: -42.381
tors. eta vs tors. theta energy: 0.488
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: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1888.500635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.500635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.500635 (E_RNA)
where:
Base-Base interactions energy: -1281.802
where: short stacking energy: -590.687
Base-Backbone interact. energy: -3.229
local terms energy: -603.469697
where:
bonds (distance) C4'-P energy: -116.600
bonds (distance) P-C4' energy: -109.844
flat angles C4'-P-C4' energy: -126.019
flat angles P-C4'-P energy: -75.588
tors. eta vs tors. theta energy: -175.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1798.989206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.989206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.989206 (E_RNA)
where:
Base-Base interactions energy: -1251.376
where: short stacking energy: -505.419
Base-Backbone interact. energy: -3.927
local terms energy: -543.686400
where:
bonds (distance) C4'-P energy: -107.776
bonds (distance) P-C4' energy: -99.618
flat angles C4'-P-C4' energy: -113.506
flat angles P-C4'-P energy: -78.118
tors. eta vs tors. theta energy: -144.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1773.749254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.749254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.749254 (E_RNA)
where:
Base-Base interactions energy: -1230.619
where: short stacking energy: -508.460
Base-Backbone interact. energy: -3.306
local terms energy: -539.824514
where:
bonds (distance) C4'-P energy: -89.963
bonds (distance) P-C4' energy: -106.339
flat angles C4'-P-C4' energy: -112.853
flat angles P-C4'-P energy: -81.782
tors. eta vs tors. theta energy: -148.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1658.079833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.079833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.079833 (E_RNA)
where:
Base-Base interactions energy: -1120.285
where: short stacking energy: -479.848
Base-Backbone interact. energy: -2.512
local terms energy: -535.282931
where:
bonds (distance) C4'-P energy: -101.000
bonds (distance) P-C4' energy: -104.761
flat angles C4'-P-C4' energy: -123.151
flat angles P-C4'-P energy: -73.759
tors. eta vs tors. theta energy: -132.611
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: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1578.731746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.731746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.731746 (E_RNA)
where:
Base-Base interactions energy: -1087.977
where: short stacking energy: -429.286
Base-Backbone interact. energy: -3.281
local terms energy: -487.473722
where:
bonds (distance) C4'-P energy: -90.094
bonds (distance) P-C4' energy: -88.261
flat angles C4'-P-C4' energy: -110.239
flat angles P-C4'-P energy: -78.514
tors. eta vs tors. theta energy: -120.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1502.843968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.843968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.843968 (E_RNA)
where:
Base-Base interactions energy: -1002.143
where: short stacking energy: -420.660
Base-Backbone interact. energy: -3.735
local terms energy: -496.966255
where:
bonds (distance) C4'-P energy: -107.033
bonds (distance) P-C4' energy: -102.027
flat angles C4'-P-C4' energy: -108.305
flat angles P-C4'-P energy: -71.167
tors. eta vs tors. theta energy: -108.434
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: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1359.066586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.066586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.066586 (E_RNA)
where:
Base-Base interactions energy: -909.498
where: short stacking energy: -380.099
Base-Backbone interact. energy: -2.242
local terms energy: -447.326245
where:
bonds (distance) C4'-P energy: -79.093
bonds (distance) P-C4' energy: -103.687
flat angles C4'-P-C4' energy: -105.677
flat angles P-C4'-P energy: -60.213
tors. eta vs tors. theta energy: -98.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1249.835011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.835011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.835011 (E_RNA)
where:
Base-Base interactions energy: -813.399
where: short stacking energy: -336.422
Base-Backbone interact. energy: 1.158
local terms energy: -437.593679
where:
bonds (distance) C4'-P energy: -105.638
bonds (distance) P-C4' energy: -91.780
flat angles C4'-P-C4' energy: -94.394
flat angles P-C4'-P energy: -70.674
tors. eta vs tors. theta energy: -75.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -853.584797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.584797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.584797 (E_RNA)
where:
Base-Base interactions energy: -542.098
where: short stacking energy: -212.111
Base-Backbone interact. energy: -0.909
local terms energy: -310.577762
where:
bonds (distance) C4'-P energy: -86.839
bonds (distance) P-C4' energy: -80.213
flat angles C4'-P-C4' energy: -82.132
flat angles P-C4'-P energy: -57.376
tors. eta vs tors. theta energy: -4.017
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: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -603.935510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.935510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.935510 (E_RNA)
where:
Base-Base interactions energy: -287.045
where: short stacking energy: -154.109
Base-Backbone interact. energy: -0.450
local terms energy: -316.440754
where:
bonds (distance) C4'-P energy: -95.756
bonds (distance) P-C4' energy: -104.671
flat angles C4'-P-C4' energy: -56.710
flat angles P-C4'-P energy: -60.304
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1878.418605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.418605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.418605 (E_RNA)
where:
Base-Base interactions energy: -1281.413
where: short stacking energy: -561.162
Base-Backbone interact. energy: 0.499
local terms energy: -597.504022
where:
bonds (distance) C4'-P energy: -116.095
bonds (distance) P-C4' energy: -116.261
flat angles C4'-P-C4' energy: -118.236
flat angles P-C4'-P energy: -80.075
tors. eta vs tors. theta energy: -166.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1788.910051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.910051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.910051 (E_RNA)
where:
Base-Base interactions energy: -1232.796
where: short stacking energy: -512.097
Base-Backbone interact. energy: -1.108
local terms energy: -555.005844
where:
bonds (distance) C4'-P energy: -102.648
bonds (distance) P-C4' energy: -111.718
flat angles C4'-P-C4' energy: -110.223
flat angles P-C4'-P energy: -90.063
tors. eta vs tors. theta energy: -140.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1752.908451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.908451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.908451 (E_RNA)
where:
Base-Base interactions energy: -1188.537
where: short stacking energy: -486.417
Base-Backbone interact. energy: -6.342
local terms energy: -558.029326
where:
bonds (distance) C4'-P energy: -108.884
bonds (distance) P-C4' energy: -110.777
flat angles C4'-P-C4' energy: -119.425
flat angles P-C4'-P energy: -80.075
tors. eta vs tors. theta energy: -138.869
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: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1620.841003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.841003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.841003 (E_RNA)
where:
Base-Base interactions energy: -1128.403
where: short stacking energy: -488.068
Base-Backbone interact. energy: -1.205
local terms energy: -491.233415
where:
bonds (distance) C4'-P energy: -97.421
bonds (distance) P-C4' energy: -97.367
flat angles C4'-P-C4' energy: -111.004
flat angles P-C4'-P energy: -61.743
tors. eta vs tors. theta energy: -123.698
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: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1574.564197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.564197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.564197 (E_RNA)
where:
Base-Base interactions energy: -1056.425
where: short stacking energy: -453.197
Base-Backbone interact. energy: 3.270
local terms energy: -521.408914
where:
bonds (distance) C4'-P energy: -88.166
bonds (distance) P-C4' energy: -105.746
flat angles C4'-P-C4' energy: -115.144
flat angles P-C4'-P energy: -77.764
tors. eta vs tors. theta energy: -134.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1560.141128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.141128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.141128 (E_RNA)
where:
Base-Base interactions energy: -1096.011
where: short stacking energy: -440.234
Base-Backbone interact. energy: -2.118
local terms energy: -462.011659
where:
bonds (distance) C4'-P energy: -88.303
bonds (distance) P-C4' energy: -82.609
flat angles C4'-P-C4' energy: -98.432
flat angles P-C4'-P energy: -65.577
tors. eta vs tors. theta energy: -127.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1344.976374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.976374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.976374 (E_RNA)
where:
Base-Base interactions energy: -874.930
where: short stacking energy: -368.520
Base-Backbone interact. energy: -0.612
local terms energy: -469.434158
where:
bonds (distance) C4'-P energy: -94.269
bonds (distance) P-C4' energy: -95.978
flat angles C4'-P-C4' energy: -99.298
flat angles P-C4'-P energy: -73.296
tors. eta vs tors. theta energy: -106.593
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: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1292.950797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.950797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.950797 (E_RNA)
where:
Base-Base interactions energy: -865.996
where: short stacking energy: -376.155
Base-Backbone interact. energy: -1.990
local terms energy: -424.964716
where:
bonds (distance) C4'-P energy: -87.491
bonds (distance) P-C4' energy: -100.403
flat angles C4'-P-C4' energy: -82.322
flat angles P-C4'-P energy: -65.392
tors. eta vs tors. theta energy: -89.356
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: 148
Temperature: 1.300000
Total energy: -830.511410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.511410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.511410 (E_RNA)
where:
Base-Base interactions energy: -494.406
where: short stacking energy: -226.354
Base-Backbone interact. energy: -1.805
local terms energy: -334.300642
where:
bonds (distance) C4'-P energy: -89.616
bonds (distance) P-C4' energy: -100.226
flat angles C4'-P-C4' energy: -92.054
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: -15.104
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: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -581.389468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.389468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.389468 (E_RNA)
where:
Base-Base interactions energy: -298.774
where: short stacking energy: -157.694
Base-Backbone interact. energy: -2.861
local terms energy: -279.754677
where:
bonds (distance) C4'-P energy: -90.553
bonds (distance) P-C4' energy: -81.688
flat angles C4'-P-C4' energy: -66.507
flat angles P-C4'-P energy: -43.853
tors. eta vs tors. theta energy: 2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1908.634147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.634147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.634147 (E_RNA)
where:
Base-Base interactions energy: -1312.436
where: short stacking energy: -564.180
Base-Backbone interact. energy: -0.492
local terms energy: -595.706020
where:
bonds (distance) C4'-P energy: -105.686
bonds (distance) P-C4' energy: -111.497
flat angles C4'-P-C4' energy: -120.500
flat angles P-C4'-P energy: -88.958
tors. eta vs tors. theta energy: -169.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1794.107257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.107257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.107257 (E_RNA)
where:
Base-Base interactions energy: -1246.685
where: short stacking energy: -519.014
Base-Backbone interact. energy: -3.557
local terms energy: -543.864889
where:
bonds (distance) C4'-P energy: -115.422
bonds (distance) P-C4' energy: -105.532
flat angles C4'-P-C4' energy: -107.132
flat angles P-C4'-P energy: -76.986
tors. eta vs tors. theta energy: -138.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1717.735788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.735788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.735788 (E_RNA)
where:
Base-Base interactions energy: -1179.095
where: short stacking energy: -492.817
Base-Backbone interact. energy: -4.096
local terms energy: -534.544732
where:
bonds (distance) C4'-P energy: -100.545
bonds (distance) P-C4' energy: -110.297
flat angles C4'-P-C4' energy: -118.095
flat angles P-C4'-P energy: -63.645
tors. eta vs tors. theta energy: -141.963
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: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1615.550102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.550102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.550102 (E_RNA)
where:
Base-Base interactions energy: -1094.973
where: short stacking energy: -457.040
Base-Backbone interact. energy: -1.780
local terms energy: -518.797106
where:
bonds (distance) C4'-P energy: -101.449
bonds (distance) P-C4' energy: -108.590
flat angles C4'-P-C4' energy: -111.545
flat angles P-C4'-P energy: -72.065
tors. eta vs tors. theta energy: -125.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1620.952291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.952291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.952291 (E_RNA)
where:
Base-Base interactions energy: -1125.511
where: short stacking energy: -467.498
Base-Backbone interact. energy: 1.600
local terms energy: -497.040739
where:
bonds (distance) C4'-P energy: -102.569
bonds (distance) P-C4' energy: -94.286
flat angles C4'-P-C4' energy: -108.266
flat angles P-C4'-P energy: -61.649
tors. eta vs tors. theta energy: -130.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1479.704398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.704398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.704398 (E_RNA)
where:
Base-Base interactions energy: -1033.664
where: short stacking energy: -426.670
Base-Backbone interact. energy: -2.927
local terms energy: -443.113516
where:
bonds (distance) C4'-P energy: -80.170
bonds (distance) P-C4' energy: -85.893
flat angles C4'-P-C4' energy: -110.981
flat angles P-C4'-P energy: -65.647
tors. eta vs tors. theta energy: -100.423
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: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1357.952264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.952264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.952264 (E_RNA)
where:
Base-Base interactions energy: -917.028
where: short stacking energy: -393.939
Base-Backbone interact. energy: 0.730
local terms energy: -441.653891
where:
bonds (distance) C4'-P energy: -86.712
bonds (distance) P-C4' energy: -98.519
flat angles C4'-P-C4' energy: -97.162
flat angles P-C4'-P energy: -61.855
tors. eta vs tors. theta energy: -97.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1296.201866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.201866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.201866 (E_RNA)
where:
Base-Base interactions energy: -851.110
where: short stacking energy: -388.644
Base-Backbone interact. energy: -1.901
local terms energy: -443.190203
where:
bonds (distance) C4'-P energy: -103.886
bonds (distance) P-C4' energy: -88.333
flat angles C4'-P-C4' energy: -91.885
flat angles P-C4'-P energy: -47.604
tors. eta vs tors. theta energy: -111.482
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: 149
Temperature: 1.300000
Total energy: -833.319242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.319242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.319242 (E_RNA)
where:
Base-Base interactions energy: -482.449
where: short stacking energy: -244.338
Base-Backbone interact. energy: -0.409
local terms energy: -350.461456
where:
bonds (distance) C4'-P energy: -84.480
bonds (distance) P-C4' energy: -100.051
flat angles C4'-P-C4' energy: -80.633
flat angles P-C4'-P energy: -57.661
tors. eta vs tors. theta energy: -27.637
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: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -615.465524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.465524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.465524 (E_RNA)
where:
Base-Base interactions energy: -333.072
where: short stacking energy: -159.927
Base-Backbone interact. energy: -1.528
local terms energy: -280.865169
where:
bonds (distance) C4'-P energy: -71.892
bonds (distance) P-C4' energy: -66.662
flat angles C4'-P-C4' energy: -86.491
flat angles P-C4'-P energy: -59.301
tors. eta vs tors. theta energy: 3.482
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: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1903.195515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.195515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.195515 (E_RNA)
where:
Base-Base interactions energy: -1294.489
where: short stacking energy: -559.828
Base-Backbone interact. energy: -0.584
local terms energy: -608.123239
where:
bonds (distance) C4'-P energy: -118.046
bonds (distance) P-C4' energy: -118.879
flat angles C4'-P-C4' energy: -122.436
flat angles P-C4'-P energy: -81.201
tors. eta vs tors. theta energy: -167.561
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: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1785.515556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.515556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.515556 (E_RNA)
where:
Base-Base interactions energy: -1216.211
where: short stacking energy: -514.383
Base-Backbone interact. energy: 1.379
local terms energy: -570.683962
where:
bonds (distance) C4'-P energy: -102.985
bonds (distance) P-C4' energy: -108.665
flat angles C4'-P-C4' energy: -128.274
flat angles P-C4'-P energy: -90.195
tors. eta vs tors. theta energy: -140.566
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: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1722.172235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.172235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.172235 (E_RNA)
where:
Base-Base interactions energy: -1173.528
where: short stacking energy: -483.802
Base-Backbone interact. energy: -4.635
local terms energy: -544.009190
where:
bonds (distance) C4'-P energy: -101.278
bonds (distance) P-C4' energy: -112.763
flat angles C4'-P-C4' energy: -116.059
flat angles P-C4'-P energy: -78.178
tors. eta vs tors. theta energy: -135.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1622.039286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.039286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.039286 (E_RNA)
where:
Base-Base interactions energy: -1108.909
where: short stacking energy: -479.454
Base-Backbone interact. energy: 1.759
local terms energy: -514.889014
where:
bonds (distance) C4'-P energy: -108.815
bonds (distance) P-C4' energy: -99.408
flat angles C4'-P-C4' energy: -107.776
flat angles P-C4'-P energy: -70.540
tors. eta vs tors. theta energy: -128.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1667.356273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.356273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.356273 (E_RNA)
where:
Base-Base interactions energy: -1151.805
where: short stacking energy: -490.861
Base-Backbone interact. energy: 0.433
local terms energy: -515.984081
where:
bonds (distance) C4'-P energy: -92.406
bonds (distance) P-C4' energy: -97.805
flat angles C4'-P-C4' energy: -108.441
flat angles P-C4'-P energy: -65.121
tors. eta vs tors. theta energy: -152.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1480.218674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.218674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.218674 (E_RNA)
where:
Base-Base interactions energy: -1008.632
where: short stacking energy: -432.453
Base-Backbone interact. energy: -2.214
local terms energy: -469.372362
where:
bonds (distance) C4'-P energy: -78.527
bonds (distance) P-C4' energy: -94.068
flat angles C4'-P-C4' energy: -121.094
flat angles P-C4'-P energy: -64.486
tors. eta vs tors. theta energy: -111.197
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: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1372.074800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.074800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.074800 (E_RNA)
where:
Base-Base interactions energy: -910.006
where: short stacking energy: -368.058
Base-Backbone interact. energy: -1.119
local terms energy: -460.950499
where:
bonds (distance) C4'-P energy: -103.395
bonds (distance) P-C4' energy: -101.044
flat angles C4'-P-C4' energy: -104.472
flat angles P-C4'-P energy: -66.637
tors. eta vs tors. theta energy: -85.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1347.293407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.293407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.293407 (E_RNA)
where:
Base-Base interactions energy: -902.131
where: short stacking energy: -386.926
Base-Backbone interact. energy: 0.052
local terms energy: -445.214808
where:
bonds (distance) C4'-P energy: -91.989
bonds (distance) P-C4' energy: -101.970
flat angles C4'-P-C4' energy: -101.875
flat angles P-C4'-P energy: -59.641
tors. eta vs tors. theta energy: -89.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -809.008573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.008573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.008573 (E_RNA)
where:
Base-Base interactions energy: -480.014
where: short stacking energy: -222.103
Base-Backbone interact. energy: -1.286
local terms energy: -327.708126
where:
bonds (distance) C4'-P energy: -74.811
bonds (distance) P-C4' energy: -90.775
flat angles C4'-P-C4' energy: -84.640
flat angles P-C4'-P energy: -51.130
tors. eta vs tors. theta energy: -26.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -661.269936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.269936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.269936 (E_RNA)
where:
Base-Base interactions energy: -348.550
where: short stacking energy: -171.965
Base-Backbone interact. energy: 4.167
local terms energy: -316.887254
where:
bonds (distance) C4'-P energy: -85.871
bonds (distance) P-C4' energy: -96.268
flat angles C4'-P-C4' energy: -77.670
flat angles P-C4'-P energy: -55.724
tors. eta vs tors. theta energy: -1.355
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: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1905.288760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.288760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.288760 (E_RNA)
where:
Base-Base interactions energy: -1307.258
where: short stacking energy: -561.674
Base-Backbone interact. energy: -2.992
local terms energy: -595.039124
where:
bonds (distance) C4'-P energy: -110.757
bonds (distance) P-C4' energy: -106.864
flat angles C4'-P-C4' energy: -127.449
flat angles P-C4'-P energy: -83.962
tors. eta vs tors. theta energy: -166.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1814.359789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.359789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.359789 (E_RNA)
where:
Base-Base interactions energy: -1263.470
where: short stacking energy: -524.062
Base-Backbone interact. energy: -2.350
local terms energy: -548.539501
where:
bonds (distance) C4'-P energy: -103.665
bonds (distance) P-C4' energy: -100.143
flat angles C4'-P-C4' energy: -118.198
flat angles P-C4'-P energy: -75.752
tors. eta vs tors. theta energy: -150.781
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: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1721.921325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.921325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.921325 (E_RNA)
where:
Base-Base interactions energy: -1194.210
where: short stacking energy: -470.974
Base-Backbone interact. energy: -1.569
local terms energy: -526.143105
where:
bonds (distance) C4'-P energy: -93.506
bonds (distance) P-C4' energy: -111.235
flat angles C4'-P-C4' energy: -114.644
flat angles P-C4'-P energy: -76.306
tors. eta vs tors. theta energy: -130.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1698.309876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.309876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.309876 (E_RNA)
where:
Base-Base interactions energy: -1174.080
where: short stacking energy: -481.338
Base-Backbone interact. energy: 1.937
local terms energy: -526.167075
where:
bonds (distance) C4'-P energy: -100.605
bonds (distance) P-C4' energy: -90.558
flat angles C4'-P-C4' energy: -117.985
flat angles P-C4'-P energy: -75.254
tors. eta vs tors. theta energy: -141.765
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: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1587.851810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.851810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.851810 (E_RNA)
where:
Base-Base interactions energy: -1077.396
where: short stacking energy: -434.106
Base-Backbone interact. energy: -3.034
local terms energy: -507.421389
where:
bonds (distance) C4'-P energy: -98.457
bonds (distance) P-C4' energy: -106.127
flat angles C4'-P-C4' energy: -102.796
flat angles P-C4'-P energy: -69.255
tors. eta vs tors. theta energy: -130.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1523.484322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.484322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.484322 (E_RNA)
where:
Base-Base interactions energy: -1033.040
where: short stacking energy: -447.305
Base-Backbone interact. energy: -1.631
local terms energy: -488.813499
where:
bonds (distance) C4'-P energy: -89.525
bonds (distance) P-C4' energy: -97.200
flat angles C4'-P-C4' energy: -115.142
flat angles P-C4'-P energy: -72.723
tors. eta vs tors. theta energy: -114.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1371.269420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.269420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.269420 (E_RNA)
where:
Base-Base interactions energy: -922.066
where: short stacking energy: -380.710
Base-Backbone interact. energy: -0.834
local terms energy: -448.370081
where:
bonds (distance) C4'-P energy: -86.139
bonds (distance) P-C4' energy: -98.478
flat angles C4'-P-C4' energy: -103.826
flat angles P-C4'-P energy: -62.813
tors. eta vs tors. theta energy: -97.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1309.703135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.703135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.703135 (E_RNA)
where:
Base-Base interactions energy: -863.775
where: short stacking energy: -364.203
Base-Backbone interact. energy: -2.097
local terms energy: -443.831741
where:
bonds (distance) C4'-P energy: -97.186
bonds (distance) P-C4' energy: -85.889
flat angles C4'-P-C4' energy: -98.522
flat angles P-C4'-P energy: -73.098
tors. eta vs tors. theta energy: -89.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -851.959211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.959211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.959211 (E_RNA)
where:
Base-Base interactions energy: -497.886
where: short stacking energy: -255.418
Base-Backbone interact. energy: 2.815
local terms energy: -356.888133
where:
bonds (distance) C4'-P energy: -90.953
bonds (distance) P-C4' energy: -100.301
flat angles C4'-P-C4' energy: -83.651
flat angles P-C4'-P energy: -50.575
tors. eta vs tors. theta energy: -31.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -629.685728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.685728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.685728 (E_RNA)
where:
Base-Base interactions energy: -344.314
where: short stacking energy: -210.747
Base-Backbone interact. energy: 1.948
local terms energy: -287.319787
where:
bonds (distance) C4'-P energy: -76.309
bonds (distance) P-C4' energy: -84.603
flat angles C4'-P-C4' energy: -77.963
flat angles P-C4'-P energy: -30.367
tors. eta vs tors. theta energy: -18.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1920.962500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.962500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.962500 (E_RNA)
where:
Base-Base interactions energy: -1322.277
where: short stacking energy: -598.560
Base-Backbone interact. energy: -2.590
local terms energy: -596.095363
where:
bonds (distance) C4'-P energy: -92.652
bonds (distance) P-C4' energy: -106.920
flat angles C4'-P-C4' energy: -132.013
flat angles P-C4'-P energy: -84.438
tors. eta vs tors. theta energy: -180.073
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: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1810.623076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.623076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.623076 (E_RNA)
where:
Base-Base interactions energy: -1233.540
where: short stacking energy: -532.432
Base-Backbone interact. energy: -2.776
local terms energy: -574.307119
where:
bonds (distance) C4'-P energy: -106.940
bonds (distance) P-C4' energy: -107.599
flat angles C4'-P-C4' energy: -125.402
flat angles P-C4'-P energy: -75.300
tors. eta vs tors. theta energy: -159.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1728.656758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.656758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.656758 (E_RNA)
where:
Base-Base interactions energy: -1213.432
where: short stacking energy: -499.988
Base-Backbone interact. energy: -0.660
local terms energy: -514.564303
where:
bonds (distance) C4'-P energy: -94.718
bonds (distance) P-C4' energy: -98.497
flat angles C4'-P-C4' energy: -109.565
flat angles P-C4'-P energy: -73.376
tors. eta vs tors. theta energy: -138.408
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: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1680.315617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.315617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.315617 (E_RNA)
where:
Base-Base interactions energy: -1152.315
where: short stacking energy: -483.760
Base-Backbone interact. energy: -3.509
local terms energy: -524.491992
where:
bonds (distance) C4'-P energy: -94.316
bonds (distance) P-C4' energy: -93.675
flat angles C4'-P-C4' energy: -130.237
flat angles P-C4'-P energy: -69.878
tors. eta vs tors. theta energy: -136.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1594.411975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.411975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.411975 (E_RNA)
where:
Base-Base interactions energy: -1081.389
where: short stacking energy: -458.586
Base-Backbone interact. energy: 1.909
local terms energy: -514.932339
where:
bonds (distance) C4'-P energy: -100.597
bonds (distance) P-C4' energy: -99.875
flat angles C4'-P-C4' energy: -117.652
flat angles P-C4'-P energy: -70.349
tors. eta vs tors. theta energy: -126.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1492.076597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.076597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.076597 (E_RNA)
where:
Base-Base interactions energy: -1001.986
where: short stacking energy: -428.016
Base-Backbone interact. energy: -0.224
local terms energy: -489.867539
where:
bonds (distance) C4'-P energy: -88.338
bonds (distance) P-C4' energy: -102.681
flat angles C4'-P-C4' energy: -107.035
flat angles P-C4'-P energy: -66.646
tors. eta vs tors. theta energy: -125.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1374.202542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.202542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.202542 (E_RNA)
where:
Base-Base interactions energy: -922.980
where: short stacking energy: -385.626
Base-Backbone interact. energy: -0.671
local terms energy: -450.552145
where:
bonds (distance) C4'-P energy: -93.723
bonds (distance) P-C4' energy: -95.599
flat angles C4'-P-C4' energy: -103.263
flat angles P-C4'-P energy: -65.929
tors. eta vs tors. theta energy: -92.038
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: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1290.293961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.293961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.293961 (E_RNA)
where:
Base-Base interactions energy: -871.933
where: short stacking energy: -355.594
Base-Backbone interact. energy: -1.283
local terms energy: -417.077897
where:
bonds (distance) C4'-P energy: -86.473
bonds (distance) P-C4' energy: -89.052
flat angles C4'-P-C4' energy: -100.561
flat angles P-C4'-P energy: -58.827
tors. eta vs tors. theta energy: -82.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -905.142035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.142035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.142035 (E_RNA)
where:
Base-Base interactions energy: -553.403
where: short stacking energy: -265.063
Base-Backbone interact. energy: -2.346
local terms energy: -349.393585
where:
bonds (distance) C4'-P energy: -83.504
bonds (distance) P-C4' energy: -87.842
flat angles C4'-P-C4' energy: -77.296
flat angles P-C4'-P energy: -59.736
tors. eta vs tors. theta energy: -41.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -654.004378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.004378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.004378 (E_RNA)
where:
Base-Base interactions energy: -349.679
where: short stacking energy: -168.889
Base-Backbone interact. energy: -2.786
local terms energy: -301.540237
where:
bonds (distance) C4'-P energy: -85.691
bonds (distance) P-C4' energy: -90.172
flat angles C4'-P-C4' energy: -79.376
flat angles P-C4'-P energy: -47.560
tors. eta vs tors. theta energy: 1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1906.737335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.737335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.737335 (E_RNA)
where:
Base-Base interactions energy: -1312.883
where: short stacking energy: -570.403
Base-Backbone interact. energy: -2.373
local terms energy: -591.482058
where:
bonds (distance) C4'-P energy: -100.661
bonds (distance) P-C4' energy: -109.594
flat angles C4'-P-C4' energy: -133.382
flat angles P-C4'-P energy: -75.764
tors. eta vs tors. theta energy: -172.081
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: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1796.991762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.991762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.991762 (E_RNA)
where:
Base-Base interactions energy: -1229.270
where: short stacking energy: -521.143
Base-Backbone interact. energy: -0.167
local terms energy: -567.554975
where:
bonds (distance) C4'-P energy: -106.713
bonds (distance) P-C4' energy: -104.815
flat angles C4'-P-C4' energy: -125.994
flat angles P-C4'-P energy: -82.493
tors. eta vs tors. theta energy: -147.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1749.889964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.889964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.889964 (E_RNA)
where:
Base-Base interactions energy: -1197.239
where: short stacking energy: -501.218
Base-Backbone interact. energy: -2.962
local terms energy: -549.688528
where:
bonds (distance) C4'-P energy: -94.196
bonds (distance) P-C4' energy: -103.972
flat angles C4'-P-C4' energy: -132.251
flat angles P-C4'-P energy: -76.506
tors. eta vs tors. theta energy: -142.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1626.259314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.259314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.259314 (E_RNA)
where:
Base-Base interactions energy: -1119.823
where: short stacking energy: -474.559
Base-Backbone interact. energy: -2.135
local terms energy: -504.301161
where:
bonds (distance) C4'-P energy: -96.172
bonds (distance) P-C4' energy: -95.543
flat angles C4'-P-C4' energy: -111.809
flat angles P-C4'-P energy: -67.163
tors. eta vs tors. theta energy: -133.614
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: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1642.334312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.334312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.334312 (E_RNA)
where:
Base-Base interactions energy: -1138.096
where: short stacking energy: -481.914
Base-Backbone interact. energy: -1.315
local terms energy: -502.923452
where:
bonds (distance) C4'-P energy: -105.055
bonds (distance) P-C4' energy: -98.065
flat angles C4'-P-C4' energy: -110.777
flat angles P-C4'-P energy: -59.037
tors. eta vs tors. theta energy: -129.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1497.956288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.956288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.956288 (E_RNA)
where:
Base-Base interactions energy: -1022.437
where: short stacking energy: -422.736
Base-Backbone interact. energy: -3.771
local terms energy: -471.747790
where:
bonds (distance) C4'-P energy: -85.434
bonds (distance) P-C4' energy: -94.588
flat angles C4'-P-C4' energy: -101.255
flat angles P-C4'-P energy: -69.578
tors. eta vs tors. theta energy: -120.892
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: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1380.192202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.192202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.192202 (E_RNA)
where:
Base-Base interactions energy: -941.194
where: short stacking energy: -402.099
Base-Backbone interact. energy: -4.071
local terms energy: -434.926937
where:
bonds (distance) C4'-P energy: -93.236
bonds (distance) P-C4' energy: -90.627
flat angles C4'-P-C4' energy: -105.009
flat angles P-C4'-P energy: -56.393
tors. eta vs tors. theta energy: -89.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1316.482367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.482367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.482367 (E_RNA)
where:
Base-Base interactions energy: -889.236
where: short stacking energy: -399.097
Base-Backbone interact. energy: -1.108
local terms energy: -426.138292
where:
bonds (distance) C4'-P energy: -102.128
bonds (distance) P-C4' energy: -74.827
flat angles C4'-P-C4' energy: -95.614
flat angles P-C4'-P energy: -57.043
tors. eta vs tors. theta energy: -96.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -878.460232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.460232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.460232 (E_RNA)
where:
Base-Base interactions energy: -510.799
where: short stacking energy: -248.155
Base-Backbone interact. energy: -0.211
local terms energy: -367.450898
where:
bonds (distance) C4'-P energy: -94.238
bonds (distance) P-C4' energy: -88.725
flat angles C4'-P-C4' energy: -95.454
flat angles P-C4'-P energy: -56.338
tors. eta vs tors. theta energy: -32.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -599.655458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.655458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.655458 (E_RNA)
where:
Base-Base interactions energy: -297.612
where: short stacking energy: -159.081
Base-Backbone interact. energy: 2.111
local terms energy: -304.153976
where:
bonds (distance) C4'-P energy: -84.960
bonds (distance) P-C4' energy: -90.993
flat angles C4'-P-C4' energy: -80.881
flat angles P-C4'-P energy: -55.693
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: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1887.291134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.291134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.291134 (E_RNA)
where:
Base-Base interactions energy: -1281.876
where: short stacking energy: -547.814
Base-Backbone interact. energy: -2.094
local terms energy: -603.320569
where:
bonds (distance) C4'-P energy: -117.420
bonds (distance) P-C4' energy: -114.519
flat angles C4'-P-C4' energy: -116.840
flat angles P-C4'-P energy: -92.673
tors. eta vs tors. theta energy: -161.867
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: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1787.086961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.086961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.086961 (E_RNA)
where:
Base-Base interactions energy: -1231.466
where: short stacking energy: -543.460
Base-Backbone interact. energy: 1.174
local terms energy: -556.795447
where:
bonds (distance) C4'-P energy: -97.916
bonds (distance) P-C4' energy: -109.831
flat angles C4'-P-C4' energy: -117.192
flat angles P-C4'-P energy: -65.574
tors. eta vs tors. theta energy: -166.282
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: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1676.909852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.909852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.909852 (E_RNA)
where:
Base-Base interactions energy: -1126.907
where: short stacking energy: -497.495
Base-Backbone interact. energy: -1.364
local terms energy: -548.639746
where:
bonds (distance) C4'-P energy: -108.388
bonds (distance) P-C4' energy: -113.972
flat angles C4'-P-C4' energy: -103.428
flat angles P-C4'-P energy: -77.983
tors. eta vs tors. theta energy: -144.869
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: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1654.626324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.626324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.626324 (E_RNA)
where:
Base-Base interactions energy: -1143.573
where: short stacking energy: -466.236
Base-Backbone interact. energy: -0.379
local terms energy: -510.674519
where:
bonds (distance) C4'-P energy: -94.669
bonds (distance) P-C4' energy: -103.894
flat angles C4'-P-C4' energy: -117.026
flat angles P-C4'-P energy: -64.171
tors. eta vs tors. theta energy: -130.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1611.331065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.331065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.331065 (E_RNA)
where:
Base-Base interactions energy: -1088.948
where: short stacking energy: -445.758
Base-Backbone interact. energy: -2.255
local terms energy: -520.128137
where:
bonds (distance) C4'-P energy: -100.439
bonds (distance) P-C4' energy: -98.591
flat angles C4'-P-C4' energy: -113.426
flat angles P-C4'-P energy: -78.513
tors. eta vs tors. theta energy: -129.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1503.999036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.999036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.999036 (E_RNA)
where:
Base-Base interactions energy: -1023.533
where: short stacking energy: -435.135
Base-Backbone interact. energy: -0.006
local terms energy: -480.459585
where:
bonds (distance) C4'-P energy: -101.662
bonds (distance) P-C4' energy: -93.544
flat angles C4'-P-C4' energy: -100.878
flat angles P-C4'-P energy: -58.984
tors. eta vs tors. theta energy: -125.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1297.793842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.793842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.793842 (E_RNA)
where:
Base-Base interactions energy: -855.039
where: short stacking energy: -352.407
Base-Backbone interact. energy: -0.316
local terms energy: -442.438297
where:
bonds (distance) C4'-P energy: -104.012
bonds (distance) P-C4' energy: -95.524
flat angles C4'-P-C4' energy: -102.149
flat angles P-C4'-P energy: -52.032
tors. eta vs tors. theta energy: -88.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1289.888107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.888107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.888107 (E_RNA)
where:
Base-Base interactions energy: -871.226
where: short stacking energy: -362.001
Base-Backbone interact. energy: -0.490
local terms energy: -418.172748
where:
bonds (distance) C4'-P energy: -87.951
bonds (distance) P-C4' energy: -69.600
flat angles C4'-P-C4' energy: -117.470
flat angles P-C4'-P energy: -63.726
tors. eta vs tors. theta energy: -79.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -875.800490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.800490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.800490 (E_RNA)
where:
Base-Base interactions energy: -546.661
where: short stacking energy: -262.790
Base-Backbone interact. energy: -0.282
local terms energy: -328.856992
where:
bonds (distance) C4'-P energy: -76.902
bonds (distance) P-C4' energy: -82.249
flat angles C4'-P-C4' energy: -92.931
flat angles P-C4'-P energy: -46.196
tors. eta vs tors. theta energy: -30.579
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: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -616.200010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.200010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.200010 (E_RNA)
where:
Base-Base interactions energy: -286.770
where: short stacking energy: -168.000
Base-Backbone interact. energy: -2.684
local terms energy: -326.745876
where:
bonds (distance) C4'-P energy: -85.423
bonds (distance) P-C4' energy: -96.353
flat angles C4'-P-C4' energy: -80.792
flat angles P-C4'-P energy: -57.180
tors. eta vs tors. theta energy: -6.998
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: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1914.055169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.055169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.055169 (E_RNA)
where:
Base-Base interactions energy: -1328.280
where: short stacking energy: -574.285
Base-Backbone interact. energy: -1.795
local terms energy: -583.979925
where:
bonds (distance) C4'-P energy: -106.385
bonds (distance) P-C4' energy: -110.807
flat angles C4'-P-C4' energy: -115.511
flat angles P-C4'-P energy: -82.973
tors. eta vs tors. theta energy: -168.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1804.107899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.107899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.107899 (E_RNA)
where:
Base-Base interactions energy: -1222.007
where: short stacking energy: -547.567
Base-Backbone interact. energy: 2.667
local terms energy: -584.768167
where:
bonds (distance) C4'-P energy: -112.346
bonds (distance) P-C4' energy: -106.740
flat angles C4'-P-C4' energy: -118.659
flat angles P-C4'-P energy: -84.165
tors. eta vs tors. theta energy: -162.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1692.772695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.772695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.772695 (E_RNA)
where:
Base-Base interactions energy: -1158.084
where: short stacking energy: -493.038
Base-Backbone interact. energy: -3.794
local terms energy: -530.895154
where:
bonds (distance) C4'-P energy: -100.681
bonds (distance) P-C4' energy: -107.881
flat angles C4'-P-C4' energy: -113.457
flat angles P-C4'-P energy: -73.918
tors. eta vs tors. theta energy: -134.957
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: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1662.714363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.714363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.714363 (E_RNA)
where:
Base-Base interactions energy: -1122.634
where: short stacking energy: -469.754
Base-Backbone interact. energy: -3.931
local terms energy: -536.148863
where:
bonds (distance) C4'-P energy: -107.451
bonds (distance) P-C4' energy: -109.852
flat angles C4'-P-C4' energy: -114.774
flat angles P-C4'-P energy: -81.415
tors. eta vs tors. theta energy: -122.656
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: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1581.358256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.358256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.358256 (E_RNA)
where:
Base-Base interactions energy: -1077.008
where: short stacking energy: -442.314
Base-Backbone interact. energy: -3.489
local terms energy: -500.861249
where:
bonds (distance) C4'-P energy: -99.221
bonds (distance) P-C4' energy: -112.872
flat angles C4'-P-C4' energy: -108.148
flat angles P-C4'-P energy: -63.901
tors. eta vs tors. theta energy: -116.720
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: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1514.719483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.719483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.719483 (E_RNA)
where:
Base-Base interactions energy: -1011.057
where: short stacking energy: -440.224
Base-Backbone interact. energy: -5.239
local terms energy: -498.424093
where:
bonds (distance) C4'-P energy: -109.528
bonds (distance) P-C4' energy: -95.994
flat angles C4'-P-C4' energy: -107.298
flat angles P-C4'-P energy: -62.495
tors. eta vs tors. theta energy: -123.109
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: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1366.445093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.445093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.445093 (E_RNA)
where:
Base-Base interactions energy: -937.284
where: short stacking energy: -393.063
Base-Backbone interact. energy: -0.447
local terms energy: -428.713919
where:
bonds (distance) C4'-P energy: -73.021
bonds (distance) P-C4' energy: -92.089
flat angles C4'-P-C4' energy: -101.893
flat angles P-C4'-P energy: -61.020
tors. eta vs tors. theta energy: -100.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1297.036594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.036594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.036594 (E_RNA)
where:
Base-Base interactions energy: -876.726
where: short stacking energy: -378.161
Base-Backbone interact. energy: 7.988
local terms energy: -428.299130
where:
bonds (distance) C4'-P energy: -105.077
bonds (distance) P-C4' energy: -82.557
flat angles C4'-P-C4' energy: -96.211
flat angles P-C4'-P energy: -67.146
tors. eta vs tors. theta energy: -77.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -928.621581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.621581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.621581 (E_RNA)
where:
Base-Base interactions energy: -550.844
where: short stacking energy: -253.392
Base-Backbone interact. energy: -2.640
local terms energy: -375.137550
where:
bonds (distance) C4'-P energy: -101.058
bonds (distance) P-C4' energy: -95.581
flat angles C4'-P-C4' energy: -84.321
flat angles P-C4'-P energy: -52.806
tors. eta vs tors. theta energy: -41.372
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: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -610.909767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.909767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.909767 (E_RNA)
where:
Base-Base interactions energy: -323.310
where: short stacking energy: -173.827
Base-Backbone interact. energy: -2.130
local terms energy: -285.470318
where:
bonds (distance) C4'-P energy: -79.885
bonds (distance) P-C4' energy: -84.634
flat angles C4'-P-C4' energy: -52.591
flat angles P-C4'-P energy: -60.132
tors. eta vs tors. theta energy: -8.229
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: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1910.428705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.428705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.428705 (E_RNA)
where:
Base-Base interactions energy: -1306.412
where: short stacking energy: -582.798
Base-Backbone interact. energy: -0.020
local terms energy: -603.996883
where:
bonds (distance) C4'-P energy: -117.223
bonds (distance) P-C4' energy: -112.446
flat angles C4'-P-C4' energy: -124.042
flat angles P-C4'-P energy: -80.452
tors. eta vs tors. theta energy: -169.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1798.207160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.207160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.207160 (E_RNA)
where:
Base-Base interactions energy: -1221.136
where: short stacking energy: -531.142
Base-Backbone interact. energy: -2.172
local terms energy: -574.898826
where:
bonds (distance) C4'-P energy: -111.315
bonds (distance) P-C4' energy: -101.126
flat angles C4'-P-C4' energy: -124.707
flat angles P-C4'-P energy: -82.695
tors. eta vs tors. theta energy: -155.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1669.481411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.481411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.481411 (E_RNA)
where:
Base-Base interactions energy: -1140.085
where: short stacking energy: -480.060
Base-Backbone interact. energy: -2.573
local terms energy: -526.823064
where:
bonds (distance) C4'-P energy: -94.819
bonds (distance) P-C4' energy: -109.319
flat angles C4'-P-C4' energy: -118.202
flat angles P-C4'-P energy: -78.493
tors. eta vs tors. theta energy: -125.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1716.479234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.479234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.479234 (E_RNA)
where:
Base-Base interactions energy: -1170.733
where: short stacking energy: -498.601
Base-Backbone interact. energy: 2.122
local terms energy: -547.867869
where:
bonds (distance) C4'-P energy: -99.303
bonds (distance) P-C4' energy: -111.828
flat angles C4'-P-C4' energy: -113.107
flat angles P-C4'-P energy: -78.074
tors. eta vs tors. theta energy: -145.556
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: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1601.798414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.798414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.798414 (E_RNA)
where:
Base-Base interactions energy: -1097.644
where: short stacking energy: -458.912
Base-Backbone interact. energy: -2.058
local terms energy: -502.096484
where:
bonds (distance) C4'-P energy: -98.200
bonds (distance) P-C4' energy: -101.216
flat angles C4'-P-C4' energy: -103.372
flat angles P-C4'-P energy: -73.112
tors. eta vs tors. theta energy: -126.196
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: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1494.022575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.022575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.022575 (E_RNA)
where:
Base-Base interactions energy: -1026.953
where: short stacking energy: -426.040
Base-Backbone interact. energy: -0.778
local terms energy: -466.291857
where:
bonds (distance) C4'-P energy: -96.154
bonds (distance) P-C4' energy: -96.164
flat angles C4'-P-C4' energy: -100.649
flat angles P-C4'-P energy: -63.652
tors. eta vs tors. theta energy: -109.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1421.975738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.975738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.975738 (E_RNA)
where:
Base-Base interactions energy: -969.094
where: short stacking energy: -452.196
Base-Backbone interact. energy: -1.543
local terms energy: -451.338985
where:
bonds (distance) C4'-P energy: -95.718
bonds (distance) P-C4' energy: -73.150
flat angles C4'-P-C4' energy: -112.151
flat angles P-C4'-P energy: -54.767
tors. eta vs tors. theta energy: -115.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1289.754184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.754184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.754184 (E_RNA)
where:
Base-Base interactions energy: -894.874
where: short stacking energy: -397.466
Base-Backbone interact. energy: 2.807
local terms energy: -397.687968
where:
bonds (distance) C4'-P energy: -84.995
bonds (distance) P-C4' energy: -69.374
flat angles C4'-P-C4' energy: -89.343
flat angles P-C4'-P energy: -60.500
tors. eta vs tors. theta energy: -93.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -910.050385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.050385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.050385 (E_RNA)
where:
Base-Base interactions energy: -562.948
where: short stacking energy: -272.493
Base-Backbone interact. energy: -2.402
local terms energy: -344.701015
where:
bonds (distance) C4'-P energy: -66.484
bonds (distance) P-C4' energy: -90.027
flat angles C4'-P-C4' energy: -94.095
flat angles P-C4'-P energy: -48.223
tors. eta vs tors. theta energy: -45.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -614.444871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.444871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.444871 (E_RNA)
where:
Base-Base interactions energy: -307.125
where: short stacking energy: -162.911
Base-Backbone interact. energy: -0.670
local terms energy: -306.649556
where:
bonds (distance) C4'-P energy: -73.086
bonds (distance) P-C4' energy: -97.480
flat angles C4'-P-C4' energy: -94.124
flat angles P-C4'-P energy: -43.535
tors. eta vs tors. theta energy: 1.576
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: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1906.482104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.482104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.482104 (E_RNA)
where:
Base-Base interactions energy: -1286.986
where: short stacking energy: -568.973
Base-Backbone interact. energy: -1.915
local terms energy: -617.580302
where:
bonds (distance) C4'-P energy: -115.501
bonds (distance) P-C4' energy: -116.140
flat angles C4'-P-C4' energy: -120.639
flat angles P-C4'-P energy: -86.806
tors. eta vs tors. theta energy: -178.495
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: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1808.073741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.073741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.073741 (E_RNA)
where:
Base-Base interactions energy: -1242.303
where: short stacking energy: -538.925
Base-Backbone interact. energy: 0.376
local terms energy: -566.147149
where:
bonds (distance) C4'-P energy: -106.603
bonds (distance) P-C4' energy: -98.408
flat angles C4'-P-C4' energy: -118.509
flat angles P-C4'-P energy: -82.639
tors. eta vs tors. theta energy: -159.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1671.731169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.731169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.731169 (E_RNA)
where:
Base-Base interactions energy: -1138.003
where: short stacking energy: -504.716
Base-Backbone interact. energy: 3.221
local terms energy: -536.949014
where:
bonds (distance) C4'-P energy: -101.273
bonds (distance) P-C4' energy: -106.665
flat angles C4'-P-C4' energy: -118.816
flat angles P-C4'-P energy: -84.111
tors. eta vs tors. theta energy: -126.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1714.710362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.710362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.710362 (E_RNA)
where:
Base-Base interactions energy: -1175.338
where: short stacking energy: -499.949
Base-Backbone interact. energy: 0.415
local terms energy: -539.787564
where:
bonds (distance) C4'-P energy: -93.719
bonds (distance) P-C4' energy: -103.876
flat angles C4'-P-C4' energy: -118.121
flat angles P-C4'-P energy: -73.039
tors. eta vs tors. theta energy: -151.032
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: 5, replica: 1
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1592.775484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.775484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.775484 (E_RNA)
where:
Base-Base interactions energy: -1131.652
where: short stacking energy: -432.157
Base-Backbone interact. energy: 2.180
local terms energy: -463.303446
where:
bonds (distance) C4'-P energy: -88.463
bonds (distance) P-C4' energy: -84.108
flat angles C4'-P-C4' energy: -115.624
flat angles P-C4'-P energy: -66.797
tors. eta vs tors. theta energy: -108.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1477.400797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.400797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.400797 (E_RNA)
where:
Base-Base interactions energy: -1006.102
where: short stacking energy: -425.752
Base-Backbone interact. energy: -1.590
local terms energy: -469.709099
where:
bonds (distance) C4'-P energy: -97.544
bonds (distance) P-C4' energy: -93.374
flat angles C4'-P-C4' energy: -91.961
flat angles P-C4'-P energy: -66.436
tors. eta vs tors. theta energy: -120.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1421.728663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.728663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.728663 (E_RNA)
where:
Base-Base interactions energy: -964.951
where: short stacking energy: -423.108
Base-Backbone interact. energy: -1.464
local terms energy: -455.314070
where:
bonds (distance) C4'-P energy: -81.685
bonds (distance) P-C4' energy: -103.153
flat angles C4'-P-C4' energy: -108.689
flat angles P-C4'-P energy: -51.706
tors. eta vs tors. theta energy: -110.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1263.988451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.988451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.988451 (E_RNA)
where:
Base-Base interactions energy: -842.021
where: short stacking energy: -357.863
Base-Backbone interact. energy: -0.875
local terms energy: -421.092689
where:
bonds (distance) C4'-P energy: -81.027
bonds (distance) P-C4' energy: -89.940
flat angles C4'-P-C4' energy: -99.222
flat angles P-C4'-P energy: -64.190
tors. eta vs tors. theta energy: -86.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1013.960134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.960134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.960134 (E_RNA)
where:
Base-Base interactions energy: -653.734
where: short stacking energy: -293.922
Base-Backbone interact. energy: 1.402
local terms energy: -361.628330
where:
bonds (distance) C4'-P energy: -87.578
bonds (distance) P-C4' energy: -93.080
flat angles C4'-P-C4' energy: -86.392
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: -53.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -598.713021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.713021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.713021 (E_RNA)
where:
Base-Base interactions energy: -292.374
where: short stacking energy: -153.546
Base-Backbone interact. energy: 0.177
local terms energy: -306.516759
where:
bonds (distance) C4'-P energy: -68.048
bonds (distance) P-C4' energy: -105.559
flat angles C4'-P-C4' energy: -81.301
flat angles P-C4'-P energy: -57.531
tors. eta vs tors. theta energy: 5.922
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: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1895.628429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.628429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.628429 (E_RNA)
where:
Base-Base interactions energy: -1275.036
where: short stacking energy: -566.126
Base-Backbone interact. energy: -0.046
local terms energy: -620.546850
where:
bonds (distance) C4'-P energy: -105.420
bonds (distance) P-C4' energy: -115.268
flat angles C4'-P-C4' energy: -133.628
flat angles P-C4'-P energy: -94.198
tors. eta vs tors. theta energy: -172.033
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: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1787.436894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.436894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.436894 (E_RNA)
where:
Base-Base interactions energy: -1231.427
where: short stacking energy: -519.520
Base-Backbone interact. energy: -3.566
local terms energy: -552.444059
where:
bonds (distance) C4'-P energy: -90.919
bonds (distance) P-C4' energy: -95.435
flat angles C4'-P-C4' energy: -123.609
flat angles P-C4'-P energy: -83.120
tors. eta vs tors. theta energy: -159.361
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: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1760.479020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.479020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.479020 (E_RNA)
where:
Base-Base interactions energy: -1217.458
where: short stacking energy: -531.565
Base-Backbone interact. energy: -2.400
local terms energy: -540.621100
where:
bonds (distance) C4'-P energy: -90.519
bonds (distance) P-C4' energy: -101.014
flat angles C4'-P-C4' energy: -118.335
flat angles P-C4'-P energy: -80.497
tors. eta vs tors. theta energy: -150.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1652.078455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.078455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.078455 (E_RNA)
where:
Base-Base interactions energy: -1135.851
where: short stacking energy: -488.700
Base-Backbone interact. energy: -2.308
local terms energy: -513.918856
where:
bonds (distance) C4'-P energy: -99.995
bonds (distance) P-C4' energy: -95.092
flat angles C4'-P-C4' energy: -110.140
flat angles P-C4'-P energy: -73.206
tors. eta vs tors. theta energy: -135.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1624.870844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.870844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.870844 (E_RNA)
where:
Base-Base interactions energy: -1129.440
where: short stacking energy: -470.597
Base-Backbone interact. energy: -2.512
local terms energy: -492.918299
where:
bonds (distance) C4'-P energy: -95.085
bonds (distance) P-C4' energy: -99.151
flat angles C4'-P-C4' energy: -101.034
flat angles P-C4'-P energy: -68.685
tors. eta vs tors. theta energy: -128.964
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: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1480.773527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.773527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.773527 (E_RNA)
where:
Base-Base interactions energy: -1028.007
where: short stacking energy: -433.878
Base-Backbone interact. energy: -1.856
local terms energy: -450.910408
where:
bonds (distance) C4'-P energy: -88.020
bonds (distance) P-C4' energy: -99.336
flat angles C4'-P-C4' energy: -92.122
flat angles P-C4'-P energy: -56.696
tors. eta vs tors. theta energy: -114.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1456.136970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.136970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.136970 (E_RNA)
where:
Base-Base interactions energy: -978.530
where: short stacking energy: -425.349
Base-Backbone interact. energy: -1.107
local terms energy: -476.499982
where:
bonds (distance) C4'-P energy: -90.735
bonds (distance) P-C4' energy: -84.008
flat angles C4'-P-C4' energy: -121.244
flat angles P-C4'-P energy: -64.480
tors. eta vs tors. theta energy: -116.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1326.978083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.978083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.978083 (E_RNA)
where:
Base-Base interactions energy: -857.941
where: short stacking energy: -362.346
Base-Backbone interact. energy: 3.433
local terms energy: -472.470339
where:
bonds (distance) C4'-P energy: -110.523
bonds (distance) P-C4' energy: -97.367
flat angles C4'-P-C4' energy: -106.903
flat angles P-C4'-P energy: -60.952
tors. eta vs tors. theta energy: -96.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -918.743888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.743888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.743888 (E_RNA)
where:
Base-Base interactions energy: -570.326
where: short stacking energy: -249.041
Base-Backbone interact. energy: 2.824
local terms energy: -351.241210
where:
bonds (distance) C4'-P energy: -83.994
bonds (distance) P-C4' energy: -88.752
flat angles C4'-P-C4' energy: -92.261
flat angles P-C4'-P energy: -53.887
tors. eta vs tors. theta energy: -32.349
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: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -574.259018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.259018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.259018 (E_RNA)
where:
Base-Base interactions energy: -278.504
where: short stacking energy: -160.180
Base-Backbone interact. energy: 1.319
local terms energy: -297.073855
where:
bonds (distance) C4'-P energy: -90.463
bonds (distance) P-C4' energy: -87.447
flat angles C4'-P-C4' energy: -71.896
flat angles P-C4'-P energy: -48.382
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1894.838868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.838868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.838868 (E_RNA)
where:
Base-Base interactions energy: -1303.982
where: short stacking energy: -561.475
Base-Backbone interact. energy: -1.727
local terms energy: -589.130329
where:
bonds (distance) C4'-P energy: -101.353
bonds (distance) P-C4' energy: -103.463
flat angles C4'-P-C4' energy: -122.584
flat angles P-C4'-P energy: -93.103
tors. eta vs tors. theta energy: -168.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1788.139099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.139099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.139099 (E_RNA)
where:
Base-Base interactions energy: -1215.631
where: short stacking energy: -538.914
Base-Backbone interact. energy: 0.377
local terms energy: -572.885598
where:
bonds (distance) C4'-P energy: -106.083
bonds (distance) P-C4' energy: -113.964
flat angles C4'-P-C4' energy: -122.834
flat angles P-C4'-P energy: -72.115
tors. eta vs tors. theta energy: -157.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1768.896435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.896435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.896435 (E_RNA)
where:
Base-Base interactions energy: -1202.855
where: short stacking energy: -516.943
Base-Backbone interact. energy: 0.312
local terms energy: -566.353534
where:
bonds (distance) C4'-P energy: -100.187
bonds (distance) P-C4' energy: -104.458
flat angles C4'-P-C4' energy: -121.821
flat angles P-C4'-P energy: -80.530
tors. eta vs tors. theta energy: -159.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1621.051672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.051672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.051672 (E_RNA)
where:
Base-Base interactions energy: -1108.588
where: short stacking energy: -456.853
Base-Backbone interact. energy: -0.528
local terms energy: -511.935444
where:
bonds (distance) C4'-P energy: -90.066
bonds (distance) P-C4' energy: -105.862
flat angles C4'-P-C4' energy: -110.753
flat angles P-C4'-P energy: -68.543
tors. eta vs tors. theta energy: -136.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1566.675832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.675832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.675832 (E_RNA)
where:
Base-Base interactions energy: -1061.267
where: short stacking energy: -450.473
Base-Backbone interact. energy: -2.577
local terms energy: -502.831005
where:
bonds (distance) C4'-P energy: -99.383
bonds (distance) P-C4' energy: -111.596
flat angles C4'-P-C4' energy: -106.533
flat angles P-C4'-P energy: -60.495
tors. eta vs tors. theta energy: -124.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1448.816732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.816732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.816732 (E_RNA)
where:
Base-Base interactions energy: -989.556
where: short stacking energy: -430.536
Base-Backbone interact. energy: -0.894
local terms energy: -458.367113
where:
bonds (distance) C4'-P energy: -92.927
bonds (distance) P-C4' energy: -91.413
flat angles C4'-P-C4' energy: -100.599
flat angles P-C4'-P energy: -59.030
tors. eta vs tors. theta energy: -114.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1391.839228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.839228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.839228 (E_RNA)
where:
Base-Base interactions energy: -929.317
where: short stacking energy: -396.457
Base-Backbone interact. energy: -1.692
local terms energy: -460.830795
where:
bonds (distance) C4'-P energy: -111.761
bonds (distance) P-C4' energy: -82.737
flat angles C4'-P-C4' energy: -99.581
flat angles P-C4'-P energy: -66.256
tors. eta vs tors. theta energy: -100.495
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: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1318.463755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.463755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.463755 (E_RNA)
where:
Base-Base interactions energy: -892.170
where: short stacking energy: -364.602
Base-Backbone interact. energy: 0.448
local terms energy: -426.742547
where:
bonds (distance) C4'-P energy: -71.419
bonds (distance) P-C4' energy: -90.015
flat angles C4'-P-C4' energy: -102.653
flat angles P-C4'-P energy: -72.310
tors. eta vs tors. theta energy: -90.344
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: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -966.413649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.413649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.413649 (E_RNA)
where:
Base-Base interactions energy: -595.904
where: short stacking energy: -286.498
Base-Backbone interact. energy: -3.366
local terms energy: -367.143681
where:
bonds (distance) C4'-P energy: -88.145
bonds (distance) P-C4' energy: -103.655
flat angles C4'-P-C4' energy: -82.194
flat angles P-C4'-P energy: -47.711
tors. eta vs tors. theta energy: -45.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -671.215593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.215593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.215593 (E_RNA)
where:
Base-Base interactions energy: -372.537
where: short stacking energy: -189.374
Base-Backbone interact. energy: 3.932
local terms energy: -302.609874
where:
bonds (distance) C4'-P energy: -81.921
bonds (distance) P-C4' energy: -93.613
flat angles C4'-P-C4' energy: -71.908
flat angles P-C4'-P energy: -45.513
tors. eta vs tors. theta energy: -9.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1871.563815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.563815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.563815 (E_RNA)
where:
Base-Base interactions energy: -1286.017
where: short stacking energy: -573.367
Base-Backbone interact. energy: -2.210
local terms energy: -583.336042
where:
bonds (distance) C4'-P energy: -99.321
bonds (distance) P-C4' energy: -103.672
flat angles C4'-P-C4' energy: -127.691
flat angles P-C4'-P energy: -80.126
tors. eta vs tors. theta energy: -172.526
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: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1767.236646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.236646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.236646 (E_RNA)
where:
Base-Base interactions energy: -1191.149
where: short stacking energy: -522.263
Base-Backbone interact. energy: 1.881
local terms energy: -577.969076
where:
bonds (distance) C4'-P energy: -106.045
bonds (distance) P-C4' energy: -107.050
flat angles C4'-P-C4' energy: -131.651
flat angles P-C4'-P energy: -85.283
tors. eta vs tors. theta energy: -147.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1766.928296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.928296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.928296 (E_RNA)
where:
Base-Base interactions energy: -1223.188
where: short stacking energy: -520.698
Base-Backbone interact. energy: -2.156
local terms energy: -541.584146
where:
bonds (distance) C4'-P energy: -90.357
bonds (distance) P-C4' energy: -111.479
flat angles C4'-P-C4' energy: -105.971
flat angles P-C4'-P energy: -83.250
tors. eta vs tors. theta energy: -150.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1688.125526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.125526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.125526 (E_RNA)
where:
Base-Base interactions energy: -1155.708
where: short stacking energy: -486.378
Base-Backbone interact. energy: -3.362
local terms energy: -529.056054
where:
bonds (distance) C4'-P energy: -87.610
bonds (distance) P-C4' energy: -101.316
flat angles C4'-P-C4' energy: -112.575
flat angles P-C4'-P energy: -79.905
tors. eta vs tors. theta energy: -147.651
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: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1565.219040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.219040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.219040 (E_RNA)
where:
Base-Base interactions energy: -1057.190
where: short stacking energy: -430.560
Base-Backbone interact. energy: -4.139
local terms energy: -503.889690
where:
bonds (distance) C4'-P energy: -105.288
bonds (distance) P-C4' energy: -104.693
flat angles C4'-P-C4' energy: -110.352
flat angles P-C4'-P energy: -66.391
tors. eta vs tors. theta energy: -117.165
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: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1447.866347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.866347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.866347 (E_RNA)
where:
Base-Base interactions energy: -990.537
where: short stacking energy: -407.455
Base-Backbone interact. energy: -0.621
local terms energy: -456.707829
where:
bonds (distance) C4'-P energy: -102.921
bonds (distance) P-C4' energy: -97.818
flat angles C4'-P-C4' energy: -105.855
flat angles P-C4'-P energy: -60.388
tors. eta vs tors. theta energy: -89.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1374.030606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.030606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.030606 (E_RNA)
where:
Base-Base interactions energy: -938.706
where: short stacking energy: -401.292
Base-Backbone interact. energy: -1.809
local terms energy: -433.515867
where:
bonds (distance) C4'-P energy: -77.390
bonds (distance) P-C4' energy: -91.403
flat angles C4'-P-C4' energy: -97.386
flat angles P-C4'-P energy: -59.309
tors. eta vs tors. theta energy: -108.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1307.841018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.841018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.841018 (E_RNA)
where:
Base-Base interactions energy: -882.822
where: short stacking energy: -360.467
Base-Backbone interact. energy: 1.831
local terms energy: -426.849967
where:
bonds (distance) C4'-P energy: -88.985
bonds (distance) P-C4' energy: -94.464
flat angles C4'-P-C4' energy: -88.005
flat angles P-C4'-P energy: -73.769
tors. eta vs tors. theta energy: -81.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1002.141725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.141725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.141725 (E_RNA)
where:
Base-Base interactions energy: -648.988
where: short stacking energy: -278.021
Base-Backbone interact. energy: 0.099
local terms energy: -353.252848
where:
bonds (distance) C4'-P energy: -86.316
bonds (distance) P-C4' energy: -89.245
flat angles C4'-P-C4' energy: -81.092
flat angles P-C4'-P energy: -48.747
tors. eta vs tors. theta energy: -47.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -669.546501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.546501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.546501 (E_RNA)
where:
Base-Base interactions energy: -361.562
where: short stacking energy: -169.263
Base-Backbone interact. energy: 0.320
local terms energy: -308.304047
where:
bonds (distance) C4'-P energy: -90.024
bonds (distance) P-C4' energy: -102.142
flat angles C4'-P-C4' energy: -70.615
flat angles P-C4'-P energy: -37.130
tors. eta vs tors. theta energy: -8.393
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: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1892.396942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.396942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.396942 (E_RNA)
where:
Base-Base interactions energy: -1284.684
where: short stacking energy: -551.576
Base-Backbone interact. energy: -1.932
local terms energy: -605.780700
where:
bonds (distance) C4'-P energy: -106.141
bonds (distance) P-C4' energy: -111.556
flat angles C4'-P-C4' energy: -126.226
flat angles P-C4'-P energy: -93.413
tors. eta vs tors. theta energy: -168.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1835.393377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.393377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.393377 (E_RNA)
where:
Base-Base interactions energy: -1261.572
where: short stacking energy: -551.788
Base-Backbone interact. energy: -2.342
local terms energy: -571.479837
where:
bonds (distance) C4'-P energy: -96.565
bonds (distance) P-C4' energy: -104.443
flat angles C4'-P-C4' energy: -125.613
flat angles P-C4'-P energy: -90.516
tors. eta vs tors. theta energy: -154.344
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: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1742.784872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.784872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.784872 (E_RNA)
where:
Base-Base interactions energy: -1162.867
where: short stacking energy: -520.137
Base-Backbone interact. energy: -2.492
local terms energy: -577.426435
where:
bonds (distance) C4'-P energy: -111.997
bonds (distance) P-C4' energy: -94.455
flat angles C4'-P-C4' energy: -123.232
flat angles P-C4'-P energy: -88.261
tors. eta vs tors. theta energy: -159.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1649.648502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.648502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.648502 (E_RNA)
where:
Base-Base interactions energy: -1122.609
where: short stacking energy: -468.025
Base-Backbone interact. energy: -3.019
local terms energy: -524.020090
where:
bonds (distance) C4'-P energy: -98.933
bonds (distance) P-C4' energy: -99.483
flat angles C4'-P-C4' energy: -118.577
flat angles P-C4'-P energy: -71.510
tors. eta vs tors. theta energy: -135.516
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: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1567.558714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.558714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.558714 (E_RNA)
where:
Base-Base interactions energy: -1058.288
where: short stacking energy: -443.437
Base-Backbone interact. energy: -1.168
local terms energy: -508.102707
where:
bonds (distance) C4'-P energy: -93.586
bonds (distance) P-C4' energy: -115.523
flat angles C4'-P-C4' energy: -107.772
flat angles P-C4'-P energy: -64.317
tors. eta vs tors. theta energy: -126.904
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: 6, replica: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1480.609308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.609308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.609308 (E_RNA)
where:
Base-Base interactions energy: -965.706
where: short stacking energy: -433.569
Base-Backbone interact. energy: -1.638
local terms energy: -513.265201
where:
bonds (distance) C4'-P energy: -95.199
bonds (distance) P-C4' energy: -106.530
flat angles C4'-P-C4' energy: -111.263
flat angles P-C4'-P energy: -72.026
tors. eta vs tors. theta energy: -128.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1383.240009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.240009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.240009 (E_RNA)
where:
Base-Base interactions energy: -934.258
where: short stacking energy: -417.031
Base-Backbone interact. energy: 0.563
local terms energy: -449.544681
where:
bonds (distance) C4'-P energy: -79.615
bonds (distance) P-C4' energy: -100.982
flat angles C4'-P-C4' energy: -95.357
flat angles P-C4'-P energy: -67.969
tors. eta vs tors. theta energy: -105.622
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: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1274.801591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.801591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.801591 (E_RNA)
where:
Base-Base interactions energy: -850.883
where: short stacking energy: -346.859
Base-Backbone interact. energy: -0.140
local terms energy: -423.778318
where:
bonds (distance) C4'-P energy: -89.421
bonds (distance) P-C4' energy: -102.145
flat angles C4'-P-C4' energy: -97.546
flat angles P-C4'-P energy: -63.042
tors. eta vs tors. theta energy: -71.625
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: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1038.241270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.241270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.241270 (E_RNA)
where:
Base-Base interactions energy: -676.585
where: short stacking energy: -310.095
Base-Backbone interact. energy: 1.704
local terms energy: -363.361145
where:
bonds (distance) C4'-P energy: -80.539
bonds (distance) P-C4' energy: -91.187
flat angles C4'-P-C4' energy: -86.641
flat angles P-C4'-P energy: -43.829
tors. eta vs tors. theta energy: -61.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -608.890024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.890024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.890024 (E_RNA)
where:
Base-Base interactions energy: -323.960
where: short stacking energy: -163.612
Base-Backbone interact. energy: 0.448
local terms energy: -285.377517
where:
bonds (distance) C4'-P energy: -90.229
bonds (distance) P-C4' energy: -98.069
flat angles C4'-P-C4' energy: -65.448
flat angles P-C4'-P energy: -35.670
tors. eta vs tors. theta energy: 4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1903.958511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.958511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.958511 (E_RNA)
where:
Base-Base interactions energy: -1304.883
where: short stacking energy: -573.146
Base-Backbone interact. energy: -0.164
local terms energy: -598.911725
where:
bonds (distance) C4'-P energy: -111.901
bonds (distance) P-C4' energy: -119.122
flat angles C4'-P-C4' energy: -116.555
flat angles P-C4'-P energy: -82.693
tors. eta vs tors. theta energy: -168.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1780.233470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.233470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.233470 (E_RNA)
where:
Base-Base interactions energy: -1198.941
where: short stacking energy: -515.930
Base-Backbone interact. energy: -1.776
local terms energy: -579.515714
where:
bonds (distance) C4'-P energy: -107.589
bonds (distance) P-C4' energy: -109.794
flat angles C4'-P-C4' energy: -119.864
flat angles P-C4'-P energy: -86.556
tors. eta vs tors. theta energy: -155.713
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: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1740.196201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.196201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.196201 (E_RNA)
where:
Base-Base interactions energy: -1200.543
where: short stacking energy: -519.708
Base-Backbone interact. energy: -3.710
local terms energy: -535.943382
where:
bonds (distance) C4'-P energy: -97.975
bonds (distance) P-C4' energy: -95.441
flat angles C4'-P-C4' energy: -117.502
flat angles P-C4'-P energy: -70.554
tors. eta vs tors. theta energy: -154.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1640.751969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.751969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.751969 (E_RNA)
where:
Base-Base interactions energy: -1131.547
where: short stacking energy: -457.345
Base-Backbone interact. energy: -2.186
local terms energy: -507.018891
where:
bonds (distance) C4'-P energy: -114.733
bonds (distance) P-C4' energy: -108.589
flat angles C4'-P-C4' energy: -102.615
flat angles P-C4'-P energy: -59.261
tors. eta vs tors. theta energy: -121.820
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: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1597.601349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.601349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.601349 (E_RNA)
where:
Base-Base interactions energy: -1134.933
where: short stacking energy: -475.266
Base-Backbone interact. energy: -3.254
local terms energy: -459.414925
where:
bonds (distance) C4'-P energy: -83.105
bonds (distance) P-C4' energy: -97.258
flat angles C4'-P-C4' energy: -93.819
flat angles P-C4'-P energy: -57.956
tors. eta vs tors. theta energy: -127.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1437.709796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.709796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.709796 (E_RNA)
where:
Base-Base interactions energy: -986.465
where: short stacking energy: -442.076
Base-Backbone interact. energy: 2.620
local terms energy: -453.865135
where:
bonds (distance) C4'-P energy: -82.392
bonds (distance) P-C4' energy: -80.768
flat angles C4'-P-C4' energy: -102.328
flat angles P-C4'-P energy: -67.643
tors. eta vs tors. theta energy: -120.734
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: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1341.424020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.424020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.424020 (E_RNA)
where:
Base-Base interactions energy: -910.791
where: short stacking energy: -380.750
Base-Backbone interact. energy: -1.246
local terms energy: -429.387218
where:
bonds (distance) C4'-P energy: -90.618
bonds (distance) P-C4' energy: -103.870
flat angles C4'-P-C4' energy: -90.385
flat angles P-C4'-P energy: -39.842
tors. eta vs tors. theta energy: -104.672
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: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1237.192170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.192170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.192170 (E_RNA)
where:
Base-Base interactions energy: -827.350
where: short stacking energy: -330.788
Base-Backbone interact. energy: 0.941
local terms energy: -410.783259
where:
bonds (distance) C4'-P energy: -86.017
bonds (distance) P-C4' energy: -97.545
flat angles C4'-P-C4' energy: -102.545
flat angles P-C4'-P energy: -61.829
tors. eta vs tors. theta energy: -62.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1070.889754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.889754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.889754 (E_RNA)
where:
Base-Base interactions energy: -707.743
where: short stacking energy: -287.889
Base-Backbone interact. energy: 6.560
local terms energy: -369.707086
where:
bonds (distance) C4'-P energy: -89.528
bonds (distance) P-C4' energy: -91.316
flat angles C4'-P-C4' energy: -95.709
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -49.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -699.244530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.244530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.244530 (E_RNA)
where:
Base-Base interactions energy: -346.566
where: short stacking energy: -185.823
Base-Backbone interact. energy: -1.847
local terms energy: -350.831301
where:
bonds (distance) C4'-P energy: -96.082
bonds (distance) P-C4' energy: -86.790
flat angles C4'-P-C4' energy: -80.909
flat angles P-C4'-P energy: -66.069
tors. eta vs tors. theta energy: -20.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1870.476084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.476084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.476084 (E_RNA)
where:
Base-Base interactions energy: -1259.930
where: short stacking energy: -535.466
Base-Backbone interact. energy: -0.433
local terms energy: -610.112282
where:
bonds (distance) C4'-P energy: -126.239
bonds (distance) P-C4' energy: -108.043
flat angles C4'-P-C4' energy: -125.520
flat angles P-C4'-P energy: -84.956
tors. eta vs tors. theta energy: -165.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1793.701312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.701312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.701312 (E_RNA)
where:
Base-Base interactions energy: -1217.164
where: short stacking energy: -532.528
Base-Backbone interact. energy: -3.605
local terms energy: -572.932518
where:
bonds (distance) C4'-P energy: -102.560
bonds (distance) P-C4' energy: -104.924
flat angles C4'-P-C4' energy: -125.976
flat angles P-C4'-P energy: -80.959
tors. eta vs tors. theta energy: -158.513
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: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1719.168688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.168688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.168688 (E_RNA)
where:
Base-Base interactions energy: -1169.566
where: short stacking energy: -505.014
Base-Backbone interact. energy: -0.152
local terms energy: -549.451112
where:
bonds (distance) C4'-P energy: -101.426
bonds (distance) P-C4' energy: -109.531
flat angles C4'-P-C4' energy: -112.661
flat angles P-C4'-P energy: -70.444
tors. eta vs tors. theta energy: -155.389
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: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1638.532357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.532357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.532357 (E_RNA)
where:
Base-Base interactions energy: -1134.342
where: short stacking energy: -451.979
Base-Backbone interact. energy: -1.902
local terms energy: -502.288497
where:
bonds (distance) C4'-P energy: -91.260
bonds (distance) P-C4' energy: -93.219
flat angles C4'-P-C4' energy: -113.325
flat angles P-C4'-P energy: -71.076
tors. eta vs tors. theta energy: -133.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1594.542901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.542901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.542901 (E_RNA)
where:
Base-Base interactions energy: -1104.712
where: short stacking energy: -485.705
Base-Backbone interact. energy: 2.056
local terms energy: -491.887429
where:
bonds (distance) C4'-P energy: -86.793
bonds (distance) P-C4' energy: -101.388
flat angles C4'-P-C4' energy: -104.708
flat angles P-C4'-P energy: -70.267
tors. eta vs tors. theta energy: -128.731
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: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1405.695225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.695225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.695225 (E_RNA)
where:
Base-Base interactions energy: -915.810
where: short stacking energy: -386.035
Base-Backbone interact. energy: -4.668
local terms energy: -485.216757
where:
bonds (distance) C4'-P energy: -93.377
bonds (distance) P-C4' energy: -91.986
flat angles C4'-P-C4' energy: -113.501
flat angles P-C4'-P energy: -68.476
tors. eta vs tors. theta energy: -117.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1352.494607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.494607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.494607 (E_RNA)
where:
Base-Base interactions energy: -913.637
where: short stacking energy: -360.843
Base-Backbone interact. energy: 0.485
local terms energy: -439.343036
where:
bonds (distance) C4'-P energy: -88.019
bonds (distance) P-C4' energy: -90.974
flat angles C4'-P-C4' energy: -100.372
flat angles P-C4'-P energy: -65.093
tors. eta vs tors. theta energy: -94.886
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: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1244.014789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.014789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.014789 (E_RNA)
where:
Base-Base interactions energy: -834.051
where: short stacking energy: -368.119
Base-Backbone interact. energy: 1.056
local terms energy: -411.019414
where:
bonds (distance) C4'-P energy: -72.201
bonds (distance) P-C4' energy: -100.086
flat angles C4'-P-C4' energy: -93.196
flat angles P-C4'-P energy: -54.794
tors. eta vs tors. theta energy: -90.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -1039.274416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.274416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.274416 (E_RNA)
where:
Base-Base interactions energy: -672.258
where: short stacking energy: -289.758
Base-Backbone interact. energy: -1.712
local terms energy: -365.304063
where:
bonds (distance) C4'-P energy: -83.235
bonds (distance) P-C4' energy: -91.707
flat angles C4'-P-C4' energy: -83.175
flat angles P-C4'-P energy: -52.049
tors. eta vs tors. theta energy: -55.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -594.125840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.125840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.125840 (E_RNA)
where:
Base-Base interactions energy: -308.903
where: short stacking energy: -158.218
Base-Backbone interact. energy: 4.937
local terms energy: -290.159681
where:
bonds (distance) C4'-P energy: -88.440
bonds (distance) P-C4' energy: -87.028
flat angles C4'-P-C4' energy: -84.344
flat angles P-C4'-P energy: -31.413
tors. eta vs tors. theta energy: 1.065
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: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1904.360811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.360811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.360811 (E_RNA)
where:
Base-Base interactions energy: -1289.048
where: short stacking energy: -563.995
Base-Backbone interact. energy: 3.202
local terms energy: -618.513872
where:
bonds (distance) C4'-P energy: -111.752
bonds (distance) P-C4' energy: -121.529
flat angles C4'-P-C4' energy: -126.843
flat angles P-C4'-P energy: -87.763
tors. eta vs tors. theta energy: -170.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1801.862647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.862647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.862647 (E_RNA)
where:
Base-Base interactions energy: -1240.453
where: short stacking energy: -510.931
Base-Backbone interact. energy: -0.348
local terms energy: -561.061883
where:
bonds (distance) C4'-P energy: -104.873
bonds (distance) P-C4' energy: -115.964
flat angles C4'-P-C4' energy: -118.835
flat angles P-C4'-P energy: -73.418
tors. eta vs tors. theta energy: -147.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1696.429331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.429331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.429331 (E_RNA)
where:
Base-Base interactions energy: -1180.615
where: short stacking energy: -477.571
Base-Backbone interact. energy: -0.844
local terms energy: -514.970825
where:
bonds (distance) C4'-P energy: -94.596
bonds (distance) P-C4' energy: -101.382
flat angles C4'-P-C4' energy: -115.937
flat angles P-C4'-P energy: -68.430
tors. eta vs tors. theta energy: -134.627
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: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1657.948143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.948143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.948143 (E_RNA)
where:
Base-Base interactions energy: -1118.223
where: short stacking energy: -475.516
Base-Backbone interact. energy: -2.808
local terms energy: -536.917259
where:
bonds (distance) C4'-P energy: -100.456
bonds (distance) P-C4' energy: -116.650
flat angles C4'-P-C4' energy: -111.380
flat angles P-C4'-P energy: -74.231
tors. eta vs tors. theta energy: -134.200
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: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1533.143768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.143768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.143768 (E_RNA)
where:
Base-Base interactions energy: -1054.602
where: short stacking energy: -437.011
Base-Backbone interact. energy: 1.978
local terms energy: -480.519765
where:
bonds (distance) C4'-P energy: -82.728
bonds (distance) P-C4' energy: -114.803
flat angles C4'-P-C4' energy: -106.137
flat angles P-C4'-P energy: -62.020
tors. eta vs tors. theta energy: -114.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1407.769996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.769996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.769996 (E_RNA)
where:
Base-Base interactions energy: -944.957
where: short stacking energy: -402.786
Base-Backbone interact. energy: 5.904
local terms energy: -468.717492
where:
bonds (distance) C4'-P energy: -90.803
bonds (distance) P-C4' energy: -112.376
flat angles C4'-P-C4' energy: -98.858
flat angles P-C4'-P energy: -70.881
tors. eta vs tors. theta energy: -95.799
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: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1390.975340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.975340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.975340 (E_RNA)
where:
Base-Base interactions energy: -960.971
where: short stacking energy: -420.337
Base-Backbone interact. energy: 2.135
local terms energy: -432.139193
where:
bonds (distance) C4'-P energy: -66.888
bonds (distance) P-C4' energy: -80.059
flat angles C4'-P-C4' energy: -108.240
flat angles P-C4'-P energy: -76.573
tors. eta vs tors. theta energy: -100.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1194.581044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.581044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.581044 (E_RNA)
where:
Base-Base interactions energy: -794.953
where: short stacking energy: -341.233
Base-Backbone interact. energy: -2.574
local terms energy: -397.053293
where:
bonds (distance) C4'-P energy: -89.567
bonds (distance) P-C4' energy: -79.112
flat angles C4'-P-C4' energy: -105.727
flat angles P-C4'-P energy: -51.918
tors. eta vs tors. theta energy: -70.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1072.193499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.193499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.193499 (E_RNA)
where:
Base-Base interactions energy: -669.689
where: short stacking energy: -293.464
Base-Backbone interact. energy: -2.737
local terms energy: -399.767920
where:
bonds (distance) C4'-P energy: -90.192
bonds (distance) P-C4' energy: -91.550
flat angles C4'-P-C4' energy: -93.396
flat angles P-C4'-P energy: -58.141
tors. eta vs tors. theta energy: -66.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -563.767637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.767637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.767637 (E_RNA)
where:
Base-Base interactions energy: -274.667
where: short stacking energy: -163.443
Base-Backbone interact. energy: 1.613
local terms energy: -290.714035
where:
bonds (distance) C4'-P energy: -91.713
bonds (distance) P-C4' energy: -68.456
flat angles C4'-P-C4' energy: -68.828
flat angles P-C4'-P energy: -62.147
tors. eta vs tors. theta energy: 0.430
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: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1874.311324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.311324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.311324 (E_RNA)
where:
Base-Base interactions energy: -1288.541
where: short stacking energy: -578.679
Base-Backbone interact. energy: 4.224
local terms energy: -589.994315
where:
bonds (distance) C4'-P energy: -104.707
bonds (distance) P-C4' energy: -102.108
flat angles C4'-P-C4' energy: -127.533
flat angles P-C4'-P energy: -88.058
tors. eta vs tors. theta energy: -167.589
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: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1811.872944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.872944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.872944 (E_RNA)
where:
Base-Base interactions energy: -1251.562
where: short stacking energy: -543.083
Base-Backbone interact. energy: -1.816
local terms energy: -558.494485
where:
bonds (distance) C4'-P energy: -90.235
bonds (distance) P-C4' energy: -106.600
flat angles C4'-P-C4' energy: -121.622
flat angles P-C4'-P energy: -84.386
tors. eta vs tors. theta energy: -155.652
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: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1714.753623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.753623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.753623 (E_RNA)
where:
Base-Base interactions energy: -1183.862
where: short stacking energy: -492.153
Base-Backbone interact. energy: -3.874
local terms energy: -527.017682
where:
bonds (distance) C4'-P energy: -94.144
bonds (distance) P-C4' energy: -109.649
flat angles C4'-P-C4' energy: -116.012
flat angles P-C4'-P energy: -69.695
tors. eta vs tors. theta energy: -137.518
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: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1653.587480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.587480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.587480 (E_RNA)
where:
Base-Base interactions energy: -1128.179
where: short stacking energy: -457.672
Base-Backbone interact. energy: -3.322
local terms energy: -522.086137
where:
bonds (distance) C4'-P energy: -101.563
bonds (distance) P-C4' energy: -108.746
flat angles C4'-P-C4' energy: -118.430
flat angles P-C4'-P energy: -63.924
tors. eta vs tors. theta energy: -129.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1572.978350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.978350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.978350 (E_RNA)
where:
Base-Base interactions energy: -1086.324
where: short stacking energy: -454.370
Base-Backbone interact. energy: -3.223
local terms energy: -483.430448
where:
bonds (distance) C4'-P energy: -92.483
bonds (distance) P-C4' energy: -104.937
flat angles C4'-P-C4' energy: -110.900
flat angles P-C4'-P energy: -60.981
tors. eta vs tors. theta energy: -114.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1444.633009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.633009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.633009 (E_RNA)
where:
Base-Base interactions energy: -964.366
where: short stacking energy: -397.735
Base-Backbone interact. energy: -0.444
local terms energy: -479.823162
where:
bonds (distance) C4'-P energy: -100.174
bonds (distance) P-C4' energy: -102.820
flat angles C4'-P-C4' energy: -113.355
flat angles P-C4'-P energy: -68.477
tors. eta vs tors. theta energy: -94.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1390.763872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.763872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.763872 (E_RNA)
where:
Base-Base interactions energy: -950.570
where: short stacking energy: -405.308
Base-Backbone interact. energy: -2.103
local terms energy: -438.090714
where:
bonds (distance) C4'-P energy: -87.683
bonds (distance) P-C4' energy: -86.806
flat angles C4'-P-C4' energy: -99.556
flat angles P-C4'-P energy: -54.533
tors. eta vs tors. theta energy: -109.512
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: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1246.041616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.041616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.041616 (E_RNA)
where:
Base-Base interactions energy: -844.856
where: short stacking energy: -347.471
Base-Backbone interact. energy: -2.045
local terms energy: -399.141421
where:
bonds (distance) C4'-P energy: -85.030
bonds (distance) P-C4' energy: -89.803
flat angles C4'-P-C4' energy: -88.349
flat angles P-C4'-P energy: -69.149
tors. eta vs tors. theta energy: -66.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1036.835504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.835504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.835504 (E_RNA)
where:
Base-Base interactions energy: -669.526
where: short stacking energy: -298.375
Base-Backbone interact. energy: -2.663
local terms energy: -364.646471
where:
bonds (distance) C4'-P energy: -69.774
bonds (distance) P-C4' energy: -106.166
flat angles C4'-P-C4' energy: -82.839
flat angles P-C4'-P energy: -53.043
tors. eta vs tors. theta energy: -52.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -532.747361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.747361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.747361 (E_RNA)
where:
Base-Base interactions energy: -219.717
where: short stacking energy: -126.776
Base-Backbone interact. energy: -3.615
local terms energy: -309.415596
where:
bonds (distance) C4'-P energy: -104.984
bonds (distance) P-C4' energy: -90.590
flat angles C4'-P-C4' energy: -85.466
flat angles P-C4'-P energy: -44.636
tors. eta vs tors. theta energy: 16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1899.410837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.410837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.410837 (E_RNA)
where:
Base-Base interactions energy: -1300.164
where: short stacking energy: -572.929
Base-Backbone interact. energy: -0.748
local terms energy: -598.498151
where:
bonds (distance) C4'-P energy: -100.671
bonds (distance) P-C4' energy: -119.111
flat angles C4'-P-C4' energy: -129.563
flat angles P-C4'-P energy: -84.139
tors. eta vs tors. theta energy: -165.015
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: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1807.295050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.295050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.295050 (E_RNA)
where:
Base-Base interactions energy: -1265.708
where: short stacking energy: -509.593
Base-Backbone interact. energy: -0.544
local terms energy: -541.043001
where:
bonds (distance) C4'-P energy: -110.879
bonds (distance) P-C4' energy: -104.334
flat angles C4'-P-C4' energy: -115.122
flat angles P-C4'-P energy: -60.554
tors. eta vs tors. theta energy: -150.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1712.086706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.086706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.086706 (E_RNA)
where:
Base-Base interactions energy: -1182.476
where: short stacking energy: -484.373
Base-Backbone interact. energy: -1.992
local terms energy: -527.618689
where:
bonds (distance) C4'-P energy: -104.950
bonds (distance) P-C4' energy: -109.984
flat angles C4'-P-C4' energy: -114.882
flat angles P-C4'-P energy: -66.614
tors. eta vs tors. theta energy: -131.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1660.558606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.558606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.558606 (E_RNA)
where:
Base-Base interactions energy: -1148.987
where: short stacking energy: -490.436
Base-Backbone interact. energy: -2.946
local terms energy: -508.625255
where:
bonds (distance) C4'-P energy: -103.841
bonds (distance) P-C4' energy: -101.642
flat angles C4'-P-C4' energy: -109.319
flat angles P-C4'-P energy: -54.305
tors. eta vs tors. theta energy: -139.519
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: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1581.848909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.848909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.848909 (E_RNA)
where:
Base-Base interactions energy: -1073.673
where: short stacking energy: -447.921
Base-Backbone interact. energy: 0.980
local terms energy: -509.155479
where:
bonds (distance) C4'-P energy: -87.714
bonds (distance) P-C4' energy: -105.625
flat angles C4'-P-C4' energy: -119.558
flat angles P-C4'-P energy: -74.236
tors. eta vs tors. theta energy: -122.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1462.210502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.210502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.210502 (E_RNA)
where:
Base-Base interactions energy: -973.157
where: short stacking energy: -416.315
Base-Backbone interact. energy: -4.800
local terms energy: -484.253784
where:
bonds (distance) C4'-P energy: -107.232
bonds (distance) P-C4' energy: -91.552
flat angles C4'-P-C4' energy: -97.868
flat angles P-C4'-P energy: -65.514
tors. eta vs tors. theta energy: -122.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1401.870268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.870268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.870268 (E_RNA)
where:
Base-Base interactions energy: -955.162
where: short stacking energy: -413.788
Base-Backbone interact. energy: -1.447
local terms energy: -445.260927
where:
bonds (distance) C4'-P energy: -92.773
bonds (distance) P-C4' energy: -94.337
flat angles C4'-P-C4' energy: -105.131
flat angles P-C4'-P energy: -53.999
tors. eta vs tors. theta energy: -99.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1230.678646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.678646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.678646 (E_RNA)
where:
Base-Base interactions energy: -800.162
where: short stacking energy: -327.249
Base-Backbone interact. energy: 0.120
local terms energy: -430.636899
where:
bonds (distance) C4'-P energy: -102.997
bonds (distance) P-C4' energy: -89.293
flat angles C4'-P-C4' energy: -93.446
flat angles P-C4'-P energy: -70.822
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: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1018.614833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.614833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.614833 (E_RNA)
where:
Base-Base interactions energy: -641.692
where: short stacking energy: -297.300
Base-Backbone interact. energy: -1.745
local terms energy: -375.177691
where:
bonds (distance) C4'-P energy: -93.161
bonds (distance) P-C4' energy: -93.642
flat angles C4'-P-C4' energy: -92.176
flat angles P-C4'-P energy: -44.686
tors. eta vs tors. theta energy: -51.513
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: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -538.957277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.957277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.957277 (E_RNA)
where:
Base-Base interactions energy: -229.297
where: short stacking energy: -156.441
Base-Backbone interact. energy: -1.586
local terms energy: -308.074094
where:
bonds (distance) C4'-P energy: -96.707
bonds (distance) P-C4' energy: -77.718
flat angles C4'-P-C4' energy: -75.633
flat angles P-C4'-P energy: -50.992
tors. eta vs tors. theta energy: -7.025
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: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1880.563649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.563649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.563649 (E_RNA)
where:
Base-Base interactions energy: -1299.944
where: short stacking energy: -559.596
Base-Backbone interact. energy: -5.946
local terms energy: -574.674093
where:
bonds (distance) C4'-P energy: -108.988
bonds (distance) P-C4' energy: -108.005
flat angles C4'-P-C4' energy: -113.899
flat angles P-C4'-P energy: -79.167
tors. eta vs tors. theta energy: -164.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1799.454834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.454834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.454834 (E_RNA)
where:
Base-Base interactions energy: -1223.180
where: short stacking energy: -530.926
Base-Backbone interact. energy: -0.630
local terms energy: -575.644739
where:
bonds (distance) C4'-P energy: -110.297
bonds (distance) P-C4' energy: -104.303
flat angles C4'-P-C4' energy: -113.131
flat angles P-C4'-P energy: -87.234
tors. eta vs tors. theta energy: -160.680
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: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1735.202568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.202568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.202568 (E_RNA)
where:
Base-Base interactions energy: -1179.218
where: short stacking energy: -498.348
Base-Backbone interact. energy: 3.318
local terms energy: -559.302451
where:
bonds (distance) C4'-P energy: -107.747
bonds (distance) P-C4' energy: -104.741
flat angles C4'-P-C4' energy: -123.838
flat angles P-C4'-P energy: -82.829
tors. eta vs tors. theta energy: -140.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1664.698211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.698211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.698211 (E_RNA)
where:
Base-Base interactions energy: -1155.342
where: short stacking energy: -481.537
Base-Backbone interact. energy: -3.739
local terms energy: -505.616511
where:
bonds (distance) C4'-P energy: -94.689
bonds (distance) P-C4' energy: -97.618
flat angles C4'-P-C4' energy: -104.225
flat angles P-C4'-P energy: -77.664
tors. eta vs tors. theta energy: -131.422
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: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1553.317317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.317317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.317317 (E_RNA)
where:
Base-Base interactions energy: -1058.181
where: short stacking energy: -458.263
Base-Backbone interact. energy: -2.259
local terms energy: -492.876680
where:
bonds (distance) C4'-P energy: -82.295
bonds (distance) P-C4' energy: -106.721
flat angles C4'-P-C4' energy: -107.884
flat angles P-C4'-P energy: -78.226
tors. eta vs tors. theta energy: -117.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1492.609261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.609261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.609261 (E_RNA)
where:
Base-Base interactions energy: -1023.973
where: short stacking energy: -447.175
Base-Backbone interact. energy: -0.895
local terms energy: -467.741444
where:
bonds (distance) C4'-P energy: -100.457
bonds (distance) P-C4' energy: -100.220
flat angles C4'-P-C4' energy: -106.965
flat angles P-C4'-P energy: -54.770
tors. eta vs tors. theta energy: -105.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1387.182159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.182159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.182159 (E_RNA)
where:
Base-Base interactions energy: -970.951
where: short stacking energy: -404.233
Base-Backbone interact. energy: -2.988
local terms energy: -413.243013
where:
bonds (distance) C4'-P energy: -83.067
bonds (distance) P-C4' energy: -77.724
flat angles C4'-P-C4' energy: -101.366
flat angles P-C4'-P energy: -58.345
tors. eta vs tors. theta energy: -92.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1228.861666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.861666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.861666 (E_RNA)
where:
Base-Base interactions energy: -833.336
where: short stacking energy: -357.931
Base-Backbone interact. energy: -2.202
local terms energy: -393.324336
where:
bonds (distance) C4'-P energy: -77.814
bonds (distance) P-C4' energy: -93.941
flat angles C4'-P-C4' energy: -99.667
flat angles P-C4'-P energy: -52.689
tors. eta vs tors. theta energy: -69.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1031.790042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.790042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.790042 (E_RNA)
where:
Base-Base interactions energy: -651.942
where: short stacking energy: -302.544
Base-Backbone interact. energy: 4.550
local terms energy: -384.397904
where:
bonds (distance) C4'-P energy: -97.963
bonds (distance) P-C4' energy: -98.151
flat angles C4'-P-C4' energy: -79.130
flat angles P-C4'-P energy: -46.208
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: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -509.408947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.408947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.408947 (E_RNA)
where:
Base-Base interactions energy: -233.140
where: short stacking energy: -141.916
Base-Backbone interact. energy: -0.780
local terms energy: -275.488764
where:
bonds (distance) C4'-P energy: -96.900
bonds (distance) P-C4' energy: -71.048
flat angles C4'-P-C4' energy: -74.633
flat angles P-C4'-P energy: -43.259
tors. eta vs tors. theta energy: 10.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1874.095974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.095974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.095974 (E_RNA)
where:
Base-Base interactions energy: -1283.333
where: short stacking energy: -564.419
Base-Backbone interact. energy: -4.262
local terms energy: -586.500551
where:
bonds (distance) C4'-P energy: -100.582
bonds (distance) P-C4' energy: -112.855
flat angles C4'-P-C4' energy: -115.205
flat angles P-C4'-P energy: -91.499
tors. eta vs tors. theta energy: -166.359
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: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1844.049353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.049353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.049353 (E_RNA)
where:
Base-Base interactions energy: -1250.153
where: short stacking energy: -556.051
Base-Backbone interact. energy: 2.203
local terms energy: -596.099188
where:
bonds (distance) C4'-P energy: -117.100
bonds (distance) P-C4' energy: -111.300
flat angles C4'-P-C4' energy: -121.155
flat angles P-C4'-P energy: -85.480
tors. eta vs tors. theta energy: -161.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1711.255015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.255015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.255015 (E_RNA)
where:
Base-Base interactions energy: -1172.967
where: short stacking energy: -519.543
Base-Backbone interact. energy: -0.280
local terms energy: -538.007962
where:
bonds (distance) C4'-P energy: -86.029
bonds (distance) P-C4' energy: -109.643
flat angles C4'-P-C4' energy: -113.938
flat angles P-C4'-P energy: -77.467
tors. eta vs tors. theta energy: -150.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1643.394870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.394870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.394870 (E_RNA)
where:
Base-Base interactions energy: -1122.657
where: short stacking energy: -457.853
Base-Backbone interact. energy: -2.072
local terms energy: -518.665968
where:
bonds (distance) C4'-P energy: -100.672
bonds (distance) P-C4' energy: -103.870
flat angles C4'-P-C4' energy: -109.428
flat angles P-C4'-P energy: -75.434
tors. eta vs tors. theta energy: -129.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1516.330022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.330022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.330022 (E_RNA)
where:
Base-Base interactions energy: -1017.388
where: short stacking energy: -435.425
Base-Backbone interact. energy: -3.578
local terms energy: -495.364114
where:
bonds (distance) C4'-P energy: -103.465
bonds (distance) P-C4' energy: -88.080
flat angles C4'-P-C4' energy: -113.511
flat angles P-C4'-P energy: -79.746
tors. eta vs tors. theta energy: -110.563
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: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1513.548703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.548703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.548703 (E_RNA)
where:
Base-Base interactions energy: -1013.036
where: short stacking energy: -441.262
Base-Backbone interact. energy: -0.213
local terms energy: -500.300080
where:
bonds (distance) C4'-P energy: -99.614
bonds (distance) P-C4' energy: -105.486
flat angles C4'-P-C4' energy: -110.232
flat angles P-C4'-P energy: -67.286
tors. eta vs tors. theta energy: -117.682
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: 7, replica: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1321.207682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.207682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.207682 (E_RNA)
where:
Base-Base interactions energy: -894.775
where: short stacking energy: -380.595
Base-Backbone interact. energy: -2.235
local terms energy: -424.198271
where:
bonds (distance) C4'-P energy: -85.525
bonds (distance) P-C4' energy: -88.398
flat angles C4'-P-C4' energy: -89.820
flat angles P-C4'-P energy: -70.546
tors. eta vs tors. theta energy: -89.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1255.999389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.999389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.999389 (E_RNA)
where:
Base-Base interactions energy: -831.115
where: short stacking energy: -358.906
Base-Backbone interact. energy: -1.411
local terms energy: -423.473906
where:
bonds (distance) C4'-P energy: -102.473
bonds (distance) P-C4' energy: -84.689
flat angles C4'-P-C4' energy: -81.772
flat angles P-C4'-P energy: -72.409
tors. eta vs tors. theta energy: -82.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1031.951135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.951135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.951135 (E_RNA)
where:
Base-Base interactions energy: -645.298
where: short stacking energy: -297.426
Base-Backbone interact. energy: 4.836
local terms energy: -391.489035
where:
bonds (distance) C4'-P energy: -86.028
bonds (distance) P-C4' energy: -89.383
flat angles C4'-P-C4' energy: -95.289
flat angles P-C4'-P energy: -61.890
tors. eta vs tors. theta energy: -58.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -550.598865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.598865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.598865 (E_RNA)
where:
Base-Base interactions energy: -274.910
where: short stacking energy: -163.698
Base-Backbone interact. energy: 3.542
local terms energy: -279.230965
where:
bonds (distance) C4'-P energy: -83.075
bonds (distance) P-C4' energy: -83.983
flat angles C4'-P-C4' energy: -84.185
flat angles P-C4'-P energy: -39.345
tors. eta vs tors. theta energy: 11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1878.220746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.220746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.220746 (E_RNA)
where:
Base-Base interactions energy: -1293.409
where: short stacking energy: -553.065
Base-Backbone interact. energy: -2.218
local terms energy: -582.594209
where:
bonds (distance) C4'-P energy: -103.998
bonds (distance) P-C4' energy: -110.454
flat angles C4'-P-C4' energy: -111.230
flat angles P-C4'-P energy: -89.077
tors. eta vs tors. theta energy: -167.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1833.340447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.340447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.340447 (E_RNA)
where:
Base-Base interactions energy: -1250.510
where: short stacking energy: -535.072
Base-Backbone interact. energy: 1.939
local terms energy: -584.768749
where:
bonds (distance) C4'-P energy: -110.764
bonds (distance) P-C4' energy: -115.365
flat angles C4'-P-C4' energy: -123.599
flat angles P-C4'-P energy: -78.165
tors. eta vs tors. theta energy: -156.876
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: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1694.382794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.382794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.382794 (E_RNA)
where:
Base-Base interactions energy: -1154.442
where: short stacking energy: -471.949
Base-Backbone interact. energy: -3.850
local terms energy: -536.090100
where:
bonds (distance) C4'-P energy: -109.638
bonds (distance) P-C4' energy: -93.248
flat angles C4'-P-C4' energy: -118.774
flat angles P-C4'-P energy: -77.930
tors. eta vs tors. theta energy: -136.501
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: 169
Temperature: 1.050000
Total energy: -1694.865980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.865980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.865980 (E_RNA)
where:
Base-Base interactions energy: -1144.369
where: short stacking energy: -492.546
Base-Backbone interact. energy: -1.390
local terms energy: -549.106916
where:
bonds (distance) C4'-P energy: -90.530
bonds (distance) P-C4' energy: -113.391
flat angles C4'-P-C4' energy: -116.159
flat angles P-C4'-P energy: -83.194
tors. eta vs tors. theta energy: -145.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1546.907839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.907839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.907839 (E_RNA)
where:
Base-Base interactions energy: -1046.350
where: short stacking energy: -437.853
Base-Backbone interact. energy: -1.001
local terms energy: -499.556868
where:
bonds (distance) C4'-P energy: -92.840
bonds (distance) P-C4' energy: -106.698
flat angles C4'-P-C4' energy: -112.404
flat angles P-C4'-P energy: -76.768
tors. eta vs tors. theta energy: -110.847
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: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1547.768582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.768582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.768582 (E_RNA)
where:
Base-Base interactions energy: -1053.475
where: short stacking energy: -453.013
Base-Backbone interact. energy: -0.599
local terms energy: -493.694611
where:
bonds (distance) C4'-P energy: -89.511
bonds (distance) P-C4' energy: -108.961
flat angles C4'-P-C4' energy: -109.186
flat angles P-C4'-P energy: -69.358
tors. eta vs tors. theta energy: -116.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1335.756095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.756095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.756095 (E_RNA)
where:
Base-Base interactions energy: -886.745
where: short stacking energy: -379.610
Base-Backbone interact. energy: -0.318
local terms energy: -448.693032
where:
bonds (distance) C4'-P energy: -92.394
bonds (distance) P-C4' energy: -80.911
flat angles C4'-P-C4' energy: -103.030
flat angles P-C4'-P energy: -71.639
tors. eta vs tors. theta energy: -100.719
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: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1240.473589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.473589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.473589 (E_RNA)
where:
Base-Base interactions energy: -827.117
where: short stacking energy: -365.693
Base-Backbone interact. energy: 5.393
local terms energy: -418.749905
where:
bonds (distance) C4'-P energy: -94.676
bonds (distance) P-C4' energy: -80.491
flat angles C4'-P-C4' energy: -98.027
flat angles P-C4'-P energy: -64.852
tors. eta vs tors. theta energy: -80.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1037.075596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.075596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.075596 (E_RNA)
where:
Base-Base interactions energy: -673.180
where: short stacking energy: -297.423
Base-Backbone interact. energy: 2.322
local terms energy: -366.217385
where:
bonds (distance) C4'-P energy: -79.127
bonds (distance) P-C4' energy: -85.643
flat angles C4'-P-C4' energy: -88.720
flat angles P-C4'-P energy: -63.690
tors. eta vs tors. theta energy: -49.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -557.193327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.193327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.193327 (E_RNA)
where:
Base-Base interactions energy: -273.063
where: short stacking energy: -168.420
Base-Backbone interact. energy: -1.265
local terms energy: -282.864864
where:
bonds (distance) C4'-P energy: -96.401
bonds (distance) P-C4' energy: -72.781
flat angles C4'-P-C4' energy: -81.086
flat angles P-C4'-P energy: -33.857
tors. eta vs tors. theta energy: 1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1877.849064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.849064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.849064 (E_RNA)
where:
Base-Base interactions energy: -1305.055
where: short stacking energy: -574.221
Base-Backbone interact. energy: 4.868
local terms energy: -577.662318
where:
bonds (distance) C4'-P energy: -101.581
bonds (distance) P-C4' energy: -115.854
flat angles C4'-P-C4' energy: -120.349
flat angles P-C4'-P energy: -80.935
tors. eta vs tors. theta energy: -158.943
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: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1851.711870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.711870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.711870 (E_RNA)
where:
Base-Base interactions energy: -1291.326
where: short stacking energy: -556.244
Base-Backbone interact. energy: -1.972
local terms energy: -558.413873
where:
bonds (distance) C4'-P energy: -106.559
bonds (distance) P-C4' energy: -99.865
flat angles C4'-P-C4' energy: -115.557
flat angles P-C4'-P energy: -75.078
tors. eta vs tors. theta energy: -161.354
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: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1716.465730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.465730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.465730 (E_RNA)
where:
Base-Base interactions energy: -1170.889
where: short stacking energy: -477.183
Base-Backbone interact. energy: -3.765
local terms energy: -541.811718
where:
bonds (distance) C4'-P energy: -101.162
bonds (distance) P-C4' energy: -106.469
flat angles C4'-P-C4' energy: -118.453
flat angles P-C4'-P energy: -75.469
tors. eta vs tors. theta energy: -140.259
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: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1658.625128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.625128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.625128 (E_RNA)
where:
Base-Base interactions energy: -1112.091
where: short stacking energy: -482.567
Base-Backbone interact. energy: -4.167
local terms energy: -542.367031
where:
bonds (distance) C4'-P energy: -97.421
bonds (distance) P-C4' energy: -109.010
flat angles C4'-P-C4' energy: -114.478
flat angles P-C4'-P energy: -67.786
tors. eta vs tors. theta energy: -153.673
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: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1571.227550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.227550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.227550 (E_RNA)
where:
Base-Base interactions energy: -1075.349
where: short stacking energy: -459.544
Base-Backbone interact. energy: -2.345
local terms energy: -493.533323
where:
bonds (distance) C4'-P energy: -97.231
bonds (distance) P-C4' energy: -90.217
flat angles C4'-P-C4' energy: -111.609
flat angles P-C4'-P energy: -64.481
tors. eta vs tors. theta energy: -129.995
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: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1514.586695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.586695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.586695 (E_RNA)
where:
Base-Base interactions energy: -1018.616
where: short stacking energy: -414.129
Base-Backbone interact. energy: -0.973
local terms energy: -494.997874
where:
bonds (distance) C4'-P energy: -92.698
bonds (distance) P-C4' energy: -102.407
flat angles C4'-P-C4' energy: -97.295
flat angles P-C4'-P energy: -65.794
tors. eta vs tors. theta energy: -136.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1392.207217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.207217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.207217 (E_RNA)
where:
Base-Base interactions energy: -947.484
where: short stacking energy: -398.251
Base-Backbone interact. energy: 1.682
local terms energy: -446.405303
where:
bonds (distance) C4'-P energy: -90.810
bonds (distance) P-C4' energy: -97.403
flat angles C4'-P-C4' energy: -100.726
flat angles P-C4'-P energy: -65.483
tors. eta vs tors. theta energy: -91.983
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: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1269.470469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.470469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.470469 (E_RNA)
where:
Base-Base interactions energy: -843.514
where: short stacking energy: -360.469
Base-Backbone interact. energy: -2.024
local terms energy: -423.932261
where:
bonds (distance) C4'-P energy: -93.699
bonds (distance) P-C4' energy: -86.465
flat angles C4'-P-C4' energy: -103.250
flat angles P-C4'-P energy: -58.463
tors. eta vs tors. theta energy: -82.055
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: 170
Temperature: 1.300000
Total energy: -1066.851227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.851227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.851227 (E_RNA)
where:
Base-Base interactions energy: -699.682
where: short stacking energy: -304.431
Base-Backbone interact. energy: 4.171
local terms energy: -371.340296
where:
bonds (distance) C4'-P energy: -83.782
bonds (distance) P-C4' energy: -86.970
flat angles C4'-P-C4' energy: -79.982
flat angles P-C4'-P energy: -58.236
tors. eta vs tors. theta energy: -62.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -512.630196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.630196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.630196 (E_RNA)
where:
Base-Base interactions energy: -234.355
where: short stacking energy: -137.078
Base-Backbone interact. energy: -2.378
local terms energy: -275.897443
where:
bonds (distance) C4'-P energy: -78.376
bonds (distance) P-C4' energy: -99.369
flat angles C4'-P-C4' energy: -75.804
flat angles P-C4'-P energy: -28.055
tors. eta vs tors. theta energy: 5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1869.999032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.999032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.999032 (E_RNA)
where:
Base-Base interactions energy: -1288.778
where: short stacking energy: -559.528
Base-Backbone interact. energy: 1.049
local terms energy: -582.269549
where:
bonds (distance) C4'-P energy: -108.661
bonds (distance) P-C4' energy: -104.038
flat angles C4'-P-C4' energy: -125.799
flat angles P-C4'-P energy: -79.029
tors. eta vs tors. theta energy: -164.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1843.668836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.668836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.668836 (E_RNA)
where:
Base-Base interactions energy: -1278.646
where: short stacking energy: -537.278
Base-Backbone interact. energy: 0.026
local terms energy: -565.048889
where:
bonds (distance) C4'-P energy: -108.400
bonds (distance) P-C4' energy: -111.804
flat angles C4'-P-C4' energy: -119.766
flat angles P-C4'-P energy: -67.566
tors. eta vs tors. theta energy: -157.513
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: 171
Temperature: 1.000000
Total energy: -1739.232355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.232355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.232355 (E_RNA)
where:
Base-Base interactions energy: -1179.413
where: short stacking energy: -507.395
Base-Backbone interact. energy: -3.245
local terms energy: -556.575303
where:
bonds (distance) C4'-P energy: -107.621
bonds (distance) P-C4' energy: -93.790
flat angles C4'-P-C4' energy: -125.061
flat angles P-C4'-P energy: -80.245
tors. eta vs tors. theta energy: -149.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1674.997477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.997477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.997477 (E_RNA)
where:
Base-Base interactions energy: -1131.887
where: short stacking energy: -470.576
Base-Backbone interact. energy: -2.105
local terms energy: -541.005323
where:
bonds (distance) C4'-P energy: -98.875
bonds (distance) P-C4' energy: -107.390
flat angles C4'-P-C4' energy: -111.307
flat angles P-C4'-P energy: -77.173
tors. eta vs tors. theta energy: -146.260
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: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1566.257151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.257151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.257151 (E_RNA)
where:
Base-Base interactions energy: -1080.107
where: short stacking energy: -446.897
Base-Backbone interact. energy: -3.999
local terms energy: -482.151440
where:
bonds (distance) C4'-P energy: -95.443
bonds (distance) P-C4' energy: -88.613
flat angles C4'-P-C4' energy: -114.172
flat angles P-C4'-P energy: -63.085
tors. eta vs tors. theta energy: -120.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1542.081364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.081364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.081364 (E_RNA)
where:
Base-Base interactions energy: -1041.840
where: short stacking energy: -444.404
Base-Backbone interact. energy: -0.840
local terms energy: -499.401292
where:
bonds (distance) C4'-P energy: -92.437
bonds (distance) P-C4' energy: -97.793
flat angles C4'-P-C4' energy: -102.719
flat angles P-C4'-P energy: -78.006
tors. eta vs tors. theta energy: -128.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1366.909538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.909538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.909538 (E_RNA)
where:
Base-Base interactions energy: -895.865
where: short stacking energy: -395.280
Base-Backbone interact. energy: -1.976
local terms energy: -469.068763
where:
bonds (distance) C4'-P energy: -84.109
bonds (distance) P-C4' energy: -100.404
flat angles C4'-P-C4' energy: -115.606
flat angles P-C4'-P energy: -75.267
tors. eta vs tors. theta energy: -93.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1272.308603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.308603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.308603 (E_RNA)
where:
Base-Base interactions energy: -847.997
where: short stacking energy: -369.948
Base-Backbone interact. energy: 2.473
local terms energy: -426.784858
where:
bonds (distance) C4'-P energy: -85.151
bonds (distance) P-C4' energy: -91.137
flat angles C4'-P-C4' energy: -103.136
flat angles P-C4'-P energy: -60.672
tors. eta vs tors. theta energy: -86.689
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: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1155.427359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.427359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.427359 (E_RNA)
where:
Base-Base interactions energy: -756.485
where: short stacking energy: -327.636
Base-Backbone interact. energy: -0.097
local terms energy: -398.845504
where:
bonds (distance) C4'-P energy: -86.112
bonds (distance) P-C4' energy: -77.681
flat angles C4'-P-C4' energy: -99.890
flat angles P-C4'-P energy: -60.034
tors. eta vs tors. theta energy: -75.128
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: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -583.656981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.656981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.656981 (E_RNA)
where:
Base-Base interactions energy: -271.334
where: short stacking energy: -151.259
Base-Backbone interact. energy: 1.572
local terms energy: -313.895268
where:
bonds (distance) C4'-P energy: -87.690
bonds (distance) P-C4' energy: -101.634
flat angles C4'-P-C4' energy: -100.093
flat angles P-C4'-P energy: -35.700
tors. eta vs tors. theta energy: 11.222
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: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1886.828137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.828137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.828137 (E_RNA)
where:
Base-Base interactions energy: -1292.470
where: short stacking energy: -558.417
Base-Backbone interact. energy: -1.032
local terms energy: -593.326001
where:
bonds (distance) C4'-P energy: -113.011
bonds (distance) P-C4' energy: -103.608
flat angles C4'-P-C4' energy: -119.950
flat angles P-C4'-P energy: -87.615
tors. eta vs tors. theta energy: -169.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1826.386117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.386117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.386117 (E_RNA)
where:
Base-Base interactions energy: -1248.598
where: short stacking energy: -515.894
Base-Backbone interact. energy: -1.171
local terms energy: -576.617535
where:
bonds (distance) C4'-P energy: -112.546
bonds (distance) P-C4' energy: -102.096
flat angles C4'-P-C4' energy: -117.730
flat angles P-C4'-P energy: -88.745
tors. eta vs tors. theta energy: -155.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1732.926377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.926377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.926377 (E_RNA)
where:
Base-Base interactions energy: -1194.198
where: short stacking energy: -507.350
Base-Backbone interact. energy: -2.706
local terms energy: -536.022026
where:
bonds (distance) C4'-P energy: -99.177
bonds (distance) P-C4' energy: -101.381
flat angles C4'-P-C4' energy: -122.256
flat angles P-C4'-P energy: -68.687
tors. eta vs tors. theta energy: -144.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1668.535286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.535286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.535286 (E_RNA)
where:
Base-Base interactions energy: -1150.298
where: short stacking energy: -483.421
Base-Backbone interact. energy: -2.002
local terms energy: -516.235455
where:
bonds (distance) C4'-P energy: -109.022
bonds (distance) P-C4' energy: -100.778
flat angles C4'-P-C4' energy: -96.512
flat angles P-C4'-P energy: -78.755
tors. eta vs tors. theta energy: -131.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1580.193834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.193834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.193834 (E_RNA)
where:
Base-Base interactions energy: -1072.228
where: short stacking energy: -446.987
Base-Backbone interact. energy: -0.526
local terms energy: -507.439648
where:
bonds (distance) C4'-P energy: -91.961
bonds (distance) P-C4' energy: -101.984
flat angles C4'-P-C4' energy: -119.632
flat angles P-C4'-P energy: -76.554
tors. eta vs tors. theta energy: -117.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1506.634962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.634962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.634962 (E_RNA)
where:
Base-Base interactions energy: -1027.944
where: short stacking energy: -442.357
Base-Backbone interact. energy: -0.821
local terms energy: -477.869777
where:
bonds (distance) C4'-P energy: -94.932
bonds (distance) P-C4' energy: -88.922
flat angles C4'-P-C4' energy: -111.490
flat angles P-C4'-P energy: -62.303
tors. eta vs tors. theta energy: -120.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1354.393760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.393760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.393760 (E_RNA)
where:
Base-Base interactions energy: -925.748
where: short stacking energy: -387.912
Base-Backbone interact. energy: 1.186
local terms energy: -429.832137
where:
bonds (distance) C4'-P energy: -75.255
bonds (distance) P-C4' energy: -98.071
flat angles C4'-P-C4' energy: -113.080
flat angles P-C4'-P energy: -62.632
tors. eta vs tors. theta energy: -80.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1275.704482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.704482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.704482 (E_RNA)
where:
Base-Base interactions energy: -832.864
where: short stacking energy: -353.404
Base-Backbone interact. energy: -2.322
local terms energy: -440.517899
where:
bonds (distance) C4'-P energy: -100.832
bonds (distance) P-C4' energy: -95.076
flat angles C4'-P-C4' energy: -100.744
flat angles P-C4'-P energy: -69.467
tors. eta vs tors. theta energy: -74.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1111.790464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.790464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.790464 (E_RNA)
where:
Base-Base interactions energy: -738.146
where: short stacking energy: -329.466
Base-Backbone interact. energy: -1.535
local terms energy: -372.109231
where:
bonds (distance) C4'-P energy: -77.282
bonds (distance) P-C4' energy: -92.426
flat angles C4'-P-C4' energy: -91.161
flat angles P-C4'-P energy: -51.967
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: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -576.804673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.804673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.804673 (E_RNA)
where:
Base-Base interactions energy: -276.331
where: short stacking energy: -170.937
Base-Backbone interact. energy: -2.233
local terms energy: -298.241277
where:
bonds (distance) C4'-P energy: -98.079
bonds (distance) P-C4' energy: -88.484
flat angles C4'-P-C4' energy: -57.818
flat angles P-C4'-P energy: -54.301
tors. eta vs tors. theta energy: 0.441
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: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1912.161918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.161918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.161918 (E_RNA)
where:
Base-Base interactions energy: -1316.167
where: short stacking energy: -572.524
Base-Backbone interact. energy: 3.039
local terms energy: -599.033997
where:
bonds (distance) C4'-P energy: -113.613
bonds (distance) P-C4' energy: -112.536
flat angles C4'-P-C4' energy: -118.954
flat angles P-C4'-P energy: -82.444
tors. eta vs tors. theta energy: -171.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1836.937696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.937696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.937696 (E_RNA)
where:
Base-Base interactions energy: -1252.532
where: short stacking energy: -558.224
Base-Backbone interact. energy: -2.697
local terms energy: -581.709256
where:
bonds (distance) C4'-P energy: -110.821
bonds (distance) P-C4' energy: -108.328
flat angles C4'-P-C4' energy: -116.812
flat angles P-C4'-P energy: -87.567
tors. eta vs tors. theta energy: -158.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1727.906918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.906918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.906918 (E_RNA)
where:
Base-Base interactions energy: -1177.626
where: short stacking energy: -492.423
Base-Backbone interact. energy: 2.324
local terms energy: -552.604386
where:
bonds (distance) C4'-P energy: -104.658
bonds (distance) P-C4' energy: -105.092
flat angles C4'-P-C4' energy: -115.095
flat angles P-C4'-P energy: -80.765
tors. eta vs tors. theta energy: -146.995
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: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1616.104523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.104523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.104523 (E_RNA)
where:
Base-Base interactions energy: -1087.427
where: short stacking energy: -436.833
Base-Backbone interact. energy: 0.954
local terms energy: -529.631759
where:
bonds (distance) C4'-P energy: -94.643
bonds (distance) P-C4' energy: -106.683
flat angles C4'-P-C4' energy: -110.083
flat angles P-C4'-P energy: -89.012
tors. eta vs tors. theta energy: -129.210
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: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1581.923059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.923059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.923059 (E_RNA)
where:
Base-Base interactions energy: -1072.865
where: short stacking energy: -436.394
Base-Backbone interact. energy: -0.331
local terms energy: -508.726861
where:
bonds (distance) C4'-P energy: -106.685
bonds (distance) P-C4' energy: -91.427
flat angles C4'-P-C4' energy: -115.356
flat angles P-C4'-P energy: -72.877
tors. eta vs tors. theta energy: -122.383
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: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1487.533837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.533837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.533837 (E_RNA)
where:
Base-Base interactions energy: -1032.330
where: short stacking energy: -424.275
Base-Backbone interact. energy: 4.126
local terms energy: -459.329260
where:
bonds (distance) C4'-P energy: -108.952
bonds (distance) P-C4' energy: -92.736
flat angles C4'-P-C4' energy: -98.202
flat angles P-C4'-P energy: -59.803
tors. eta vs tors. theta energy: -99.637
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: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1402.538096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.538096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.538096 (E_RNA)
where:
Base-Base interactions energy: -975.638
where: short stacking energy: -428.824
Base-Backbone interact. energy: -0.898
local terms energy: -426.001617
where:
bonds (distance) C4'-P energy: -86.962
bonds (distance) P-C4' energy: -80.172
flat angles C4'-P-C4' energy: -103.615
flat angles P-C4'-P energy: -50.165
tors. eta vs tors. theta energy: -105.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1229.828581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.828581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.828581 (E_RNA)
where:
Base-Base interactions energy: -811.817
where: short stacking energy: -319.410
Base-Backbone interact. energy: -1.387
local terms energy: -416.624965
where:
bonds (distance) C4'-P energy: -90.912
bonds (distance) P-C4' energy: -94.286
flat angles C4'-P-C4' energy: -93.344
flat angles P-C4'-P energy: -44.587
tors. eta vs tors. theta energy: -93.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1050.312760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.312760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.312760 (E_RNA)
where:
Base-Base interactions energy: -668.335
where: short stacking energy: -286.359
Base-Backbone interact. energy: 1.395
local terms energy: -383.372123
where:
bonds (distance) C4'-P energy: -88.265
bonds (distance) P-C4' energy: -87.723
flat angles C4'-P-C4' energy: -99.081
flat angles P-C4'-P energy: -59.161
tors. eta vs tors. theta energy: -49.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -539.756044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.756044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.756044 (E_RNA)
where:
Base-Base interactions energy: -239.024
where: short stacking energy: -130.558
Base-Backbone interact. energy: -4.109
local terms energy: -296.622737
where:
bonds (distance) C4'-P energy: -82.103
bonds (distance) P-C4' energy: -90.731
flat angles C4'-P-C4' energy: -89.599
flat angles P-C4'-P energy: -45.604
tors. eta vs tors. theta energy: 11.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1895.491412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.491412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.491412 (E_RNA)
where:
Base-Base interactions energy: -1301.273
where: short stacking energy: -568.383
Base-Backbone interact. energy: 0.769
local terms energy: -594.987392
where:
bonds (distance) C4'-P energy: -102.861
bonds (distance) P-C4' energy: -118.226
flat angles C4'-P-C4' energy: -121.440
flat angles P-C4'-P energy: -80.767
tors. eta vs tors. theta energy: -171.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1822.966770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.966770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.966770 (E_RNA)
where:
Base-Base interactions energy: -1229.011
where: short stacking energy: -532.197
Base-Backbone interact. energy: -0.068
local terms energy: -593.887265
where:
bonds (distance) C4'-P energy: -122.781
bonds (distance) P-C4' energy: -110.686
flat angles C4'-P-C4' energy: -126.629
flat angles P-C4'-P energy: -72.391
tors. eta vs tors. theta energy: -161.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1752.270010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.270010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.270010 (E_RNA)
where:
Base-Base interactions energy: -1206.238
where: short stacking energy: -531.066
Base-Backbone interact. energy: -0.294
local terms energy: -545.738330
where:
bonds (distance) C4'-P energy: -96.406
bonds (distance) P-C4' energy: -106.613
flat angles C4'-P-C4' energy: -118.323
flat angles P-C4'-P energy: -79.614
tors. eta vs tors. theta energy: -144.782
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: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1624.055182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.055182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.055182 (E_RNA)
where:
Base-Base interactions energy: -1115.318
where: short stacking energy: -473.677
Base-Backbone interact. energy: -0.451
local terms energy: -508.286878
where:
bonds (distance) C4'-P energy: -94.896
bonds (distance) P-C4' energy: -104.367
flat angles C4'-P-C4' energy: -106.328
flat angles P-C4'-P energy: -65.375
tors. eta vs tors. theta energy: -137.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1574.808168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.808168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.808168 (E_RNA)
where:
Base-Base interactions energy: -1078.347
where: short stacking energy: -479.703
Base-Backbone interact. energy: 0.681
local terms energy: -497.141573
where:
bonds (distance) C4'-P energy: -84.125
bonds (distance) P-C4' energy: -100.979
flat angles C4'-P-C4' energy: -106.900
flat angles P-C4'-P energy: -68.335
tors. eta vs tors. theta energy: -136.803
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: 174
Temperature: 1.150000
Total energy: -1524.356886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.356886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.356886 (E_RNA)
where:
Base-Base interactions energy: -1043.618
where: short stacking energy: -474.364
Base-Backbone interact. energy: 0.604
local terms energy: -481.343169
where:
bonds (distance) C4'-P energy: -93.062
bonds (distance) P-C4' energy: -96.693
flat angles C4'-P-C4' energy: -95.714
flat angles P-C4'-P energy: -81.177
tors. eta vs tors. theta energy: -114.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1398.950714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.950714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.950714 (E_RNA)
where:
Base-Base interactions energy: -952.035
where: short stacking energy: -402.058
Base-Backbone interact. energy: -0.371
local terms energy: -446.544284
where:
bonds (distance) C4'-P energy: -95.640
bonds (distance) P-C4' energy: -84.646
flat angles C4'-P-C4' energy: -102.861
flat angles P-C4'-P energy: -67.488
tors. eta vs tors. theta energy: -95.909
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: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1231.347731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.347731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.347731 (E_RNA)
where:
Base-Base interactions energy: -841.424
where: short stacking energy: -338.031
Base-Backbone interact. energy: -0.726
local terms energy: -389.197291
where:
bonds (distance) C4'-P energy: -76.835
bonds (distance) P-C4' energy: -86.672
flat angles C4'-P-C4' energy: -85.070
flat angles P-C4'-P energy: -58.570
tors. eta vs tors. theta energy: -82.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1057.049971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.049971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.049971 (E_RNA)
where:
Base-Base interactions energy: -666.871
where: short stacking energy: -305.232
Base-Backbone interact. energy: 4.681
local terms energy: -394.859800
where:
bonds (distance) C4'-P energy: -85.787
bonds (distance) P-C4' energy: -85.764
flat angles C4'-P-C4' energy: -103.818
flat angles P-C4'-P energy: -64.747
tors. eta vs tors. theta energy: -54.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -586.083702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.083702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.083702 (E_RNA)
where:
Base-Base interactions energy: -310.841
where: short stacking energy: -164.293
Base-Backbone interact. energy: -0.124
local terms energy: -275.119160
where:
bonds (distance) C4'-P energy: -72.488
bonds (distance) P-C4' energy: -97.636
flat angles C4'-P-C4' energy: -68.517
flat angles P-C4'-P energy: -46.635
tors. eta vs tors. theta energy: 10.156
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: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1895.924674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.924674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.924674 (E_RNA)
where:
Base-Base interactions energy: -1293.794
where: short stacking energy: -566.110
Base-Backbone interact. energy: -2.344
local terms energy: -599.786830
where:
bonds (distance) C4'-P energy: -98.483
bonds (distance) P-C4' energy: -104.469
flat angles C4'-P-C4' energy: -127.427
flat angles P-C4'-P energy: -97.099
tors. eta vs tors. theta energy: -172.309
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: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1815.734878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.734878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.734878 (E_RNA)
where:
Base-Base interactions energy: -1250.036
where: short stacking energy: -547.318
Base-Backbone interact. energy: -4.319
local terms energy: -561.380152
where:
bonds (distance) C4'-P energy: -102.887
bonds (distance) P-C4' energy: -104.646
flat angles C4'-P-C4' energy: -111.424
flat angles P-C4'-P energy: -74.204
tors. eta vs tors. theta energy: -168.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1731.350620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.350620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.350620 (E_RNA)
where:
Base-Base interactions energy: -1204.990
where: short stacking energy: -508.268
Base-Backbone interact. energy: -1.974
local terms energy: -524.386032
where:
bonds (distance) C4'-P energy: -102.159
bonds (distance) P-C4' energy: -91.523
flat angles C4'-P-C4' energy: -114.413
flat angles P-C4'-P energy: -73.575
tors. eta vs tors. theta energy: -142.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1643.186163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.186163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.186163 (E_RNA)
where:
Base-Base interactions energy: -1110.567
where: short stacking energy: -478.863
Base-Backbone interact. energy: -0.963
local terms energy: -531.656569
where:
bonds (distance) C4'-P energy: -102.440
bonds (distance) P-C4' energy: -96.558
flat angles C4'-P-C4' energy: -118.454
flat angles P-C4'-P energy: -78.513
tors. eta vs tors. theta energy: -135.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1551.173383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.173383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.173383 (E_RNA)
where:
Base-Base interactions energy: -1067.252
where: short stacking energy: -447.031
Base-Backbone interact. energy: -2.595
local terms energy: -481.326473
where:
bonds (distance) C4'-P energy: -82.756
bonds (distance) P-C4' energy: -100.720
flat angles C4'-P-C4' energy: -107.748
flat angles P-C4'-P energy: -74.715
tors. eta vs tors. theta energy: -115.388
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: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1520.206239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.206239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.206239 (E_RNA)
where:
Base-Base interactions energy: -1004.725
where: short stacking energy: -437.418
Base-Backbone interact. energy: -1.542
local terms energy: -513.939439
where:
bonds (distance) C4'-P energy: -101.059
bonds (distance) P-C4' energy: -90.966
flat angles C4'-P-C4' energy: -116.075
flat angles P-C4'-P energy: -85.345
tors. eta vs tors. theta energy: -120.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1426.697189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.697189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.697189 (E_RNA)
where:
Base-Base interactions energy: -945.609
where: short stacking energy: -390.848
Base-Backbone interact. energy: -3.150
local terms energy: -477.938170
where:
bonds (distance) C4'-P energy: -105.110
bonds (distance) P-C4' energy: -93.479
flat angles C4'-P-C4' energy: -101.887
flat angles P-C4'-P energy: -67.621
tors. eta vs tors. theta energy: -109.840
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: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1197.242341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.242341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.242341 (E_RNA)
where:
Base-Base interactions energy: -775.444
where: short stacking energy: -332.340
Base-Backbone interact. energy: 0.133
local terms energy: -421.930907
where:
bonds (distance) C4'-P energy: -89.063
bonds (distance) P-C4' energy: -103.166
flat angles C4'-P-C4' energy: -93.550
flat angles P-C4'-P energy: -60.008
tors. eta vs tors. theta energy: -76.144
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: 175
Temperature: 1.300000
Total energy: -1023.548744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.548744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.548744 (E_RNA)
where:
Base-Base interactions energy: -661.969
where: short stacking energy: -290.802
Base-Backbone interact. energy: 3.991
local terms energy: -365.570181
where:
bonds (distance) C4'-P energy: -91.196
bonds (distance) P-C4' energy: -73.810
flat angles C4'-P-C4' energy: -101.205
flat angles P-C4'-P energy: -48.473
tors. eta vs tors. theta energy: -50.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -541.166528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.166528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.166528 (E_RNA)
where:
Base-Base interactions energy: -217.557
where: short stacking energy: -136.521
Base-Backbone interact. energy: -1.863
local terms energy: -321.746631
where:
bonds (distance) C4'-P energy: -108.208
bonds (distance) P-C4' energy: -95.105
flat angles C4'-P-C4' energy: -88.926
flat angles P-C4'-P energy: -43.531
tors. eta vs tors. theta energy: 14.024
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: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1925.734487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.734487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.734487 (E_RNA)
where:
Base-Base interactions energy: -1316.604
where: short stacking energy: -571.698
Base-Backbone interact. energy: -4.815
local terms energy: -604.315605
where:
bonds (distance) C4'-P energy: -118.487
bonds (distance) P-C4' energy: -106.029
flat angles C4'-P-C4' energy: -122.060
flat angles P-C4'-P energy: -84.832
tors. eta vs tors. theta energy: -172.909
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: 176
Temperature: 0.950000
Total energy: -1835.047947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.047947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.047947 (E_RNA)
where:
Base-Base interactions energy: -1255.365
where: short stacking energy: -541.234
Base-Backbone interact. energy: -4.415
local terms energy: -575.267621
where:
bonds (distance) C4'-P energy: -107.728
bonds (distance) P-C4' energy: -122.508
flat angles C4'-P-C4' energy: -110.865
flat angles P-C4'-P energy: -75.602
tors. eta vs tors. theta energy: -158.565
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: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1737.469550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.469550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.469550 (E_RNA)
where:
Base-Base interactions energy: -1206.541
where: short stacking energy: -490.123
Base-Backbone interact. energy: 2.341
local terms energy: -533.269450
where:
bonds (distance) C4'-P energy: -103.311
bonds (distance) P-C4' energy: -102.585
flat angles C4'-P-C4' energy: -104.727
flat angles P-C4'-P energy: -73.415
tors. eta vs tors. theta energy: -149.232
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: 176
Temperature: 1.050000
Total energy: -1599.842080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.842080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.842080 (E_RNA)
where:
Base-Base interactions energy: -1070.424
where: short stacking energy: -466.441
Base-Backbone interact. energy: -1.816
local terms energy: -527.602320
where:
bonds (distance) C4'-P energy: -107.799
bonds (distance) P-C4' energy: -96.600
flat angles C4'-P-C4' energy: -109.122
flat angles P-C4'-P energy: -78.535
tors. eta vs tors. theta energy: -135.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1577.545906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.545906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.545906 (E_RNA)
where:
Base-Base interactions energy: -1111.998
where: short stacking energy: -462.741
Base-Backbone interact. energy: 2.064
local terms energy: -467.612198
where:
bonds (distance) C4'-P energy: -88.457
bonds (distance) P-C4' energy: -94.159
flat angles C4'-P-C4' energy: -103.243
flat angles P-C4'-P energy: -65.879
tors. eta vs tors. theta energy: -115.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1486.324339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.324339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.324339 (E_RNA)
where:
Base-Base interactions energy: -996.967
where: short stacking energy: -421.978
Base-Backbone interact. energy: -3.750
local terms energy: -485.606973
where:
bonds (distance) C4'-P energy: -96.902
bonds (distance) P-C4' energy: -98.899
flat angles C4'-P-C4' energy: -101.407
flat angles P-C4'-P energy: -83.339
tors. eta vs tors. theta energy: -105.061
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: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1395.339169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.339169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.339169 (E_RNA)
where:
Base-Base interactions energy: -954.500
where: short stacking energy: -412.204
Base-Backbone interact. energy: -1.545
local terms energy: -439.294112
where:
bonds (distance) C4'-P energy: -92.601
bonds (distance) P-C4' energy: -91.764
flat angles C4'-P-C4' energy: -110.722
flat angles P-C4'-P energy: -57.117
tors. eta vs tors. theta energy: -87.089
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: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1268.911540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.911540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.911540 (E_RNA)
where:
Base-Base interactions energy: -836.598
where: short stacking energy: -354.187
Base-Backbone interact. energy: -0.818
local terms energy: -431.495282
where:
bonds (distance) C4'-P energy: -103.485
bonds (distance) P-C4' energy: -87.579
flat angles C4'-P-C4' energy: -92.964
flat angles P-C4'-P energy: -61.768
tors. eta vs tors. theta energy: -85.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1036.119541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.119541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.119541 (E_RNA)
where:
Base-Base interactions energy: -687.300
where: short stacking energy: -292.058
Base-Backbone interact. energy: -4.981
local terms energy: -343.837728
where:
bonds (distance) C4'-P energy: -76.034
bonds (distance) P-C4' energy: -74.428
flat angles C4'-P-C4' energy: -91.741
flat angles P-C4'-P energy: -53.412
tors. eta vs tors. theta energy: -48.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -563.883200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.883200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.883200 (E_RNA)
where:
Base-Base interactions energy: -261.476
where: short stacking energy: -146.918
Base-Backbone interact. energy: 1.231
local terms energy: -303.638315
where:
bonds (distance) C4'-P energy: -85.136
bonds (distance) P-C4' energy: -103.304
flat angles C4'-P-C4' energy: -88.691
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -12.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1906.427811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.427811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.427811 (E_RNA)
where:
Base-Base interactions energy: -1300.184
where: short stacking energy: -549.550
Base-Backbone interact. energy: -3.901
local terms energy: -602.342669
where:
bonds (distance) C4'-P energy: -110.877
bonds (distance) P-C4' energy: -98.989
flat angles C4'-P-C4' energy: -124.928
flat angles P-C4'-P energy: -93.102
tors. eta vs tors. theta energy: -174.447
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: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1805.535744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.535744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.535744 (E_RNA)
where:
Base-Base interactions energy: -1238.106
where: short stacking energy: -522.560
Base-Backbone interact. energy: -2.207
local terms energy: -565.223112
where:
bonds (distance) C4'-P energy: -112.828
bonds (distance) P-C4' energy: -93.300
flat angles C4'-P-C4' energy: -117.609
flat angles P-C4'-P energy: -86.171
tors. eta vs tors. theta energy: -155.315
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: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1741.018391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.018391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.018391 (E_RNA)
where:
Base-Base interactions energy: -1190.577
where: short stacking energy: -512.749
Base-Backbone interact. energy: -1.398
local terms energy: -549.042870
where:
bonds (distance) C4'-P energy: -100.182
bonds (distance) P-C4' energy: -107.945
flat angles C4'-P-C4' energy: -114.199
flat angles P-C4'-P energy: -79.187
tors. eta vs tors. theta energy: -147.530
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: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1642.364813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.364813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.364813 (E_RNA)
where:
Base-Base interactions energy: -1127.401
where: short stacking energy: -505.447
Base-Backbone interact. energy: -1.084
local terms energy: -513.879323
where:
bonds (distance) C4'-P energy: -107.403
bonds (distance) P-C4' energy: -87.244
flat angles C4'-P-C4' energy: -110.854
flat angles P-C4'-P energy: -76.544
tors. eta vs tors. theta energy: -131.834
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: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1597.380206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.380206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.380206 (E_RNA)
where:
Base-Base interactions energy: -1114.632
where: short stacking energy: -462.016
Base-Backbone interact. energy: 0.867
local terms energy: -483.615862
where:
bonds (distance) C4'-P energy: -95.064
bonds (distance) P-C4' energy: -96.609
flat angles C4'-P-C4' energy: -104.899
flat angles P-C4'-P energy: -69.150
tors. eta vs tors. theta energy: -117.893
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: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1513.935532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.935532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.935532 (E_RNA)
where:
Base-Base interactions energy: -1021.644
where: short stacking energy: -439.573
Base-Backbone interact. energy: -2.437
local terms energy: -489.854092
where:
bonds (distance) C4'-P energy: -98.087
bonds (distance) P-C4' energy: -95.249
flat angles C4'-P-C4' energy: -107.572
flat angles P-C4'-P energy: -66.073
tors. eta vs tors. theta energy: -122.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1417.238506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.238506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.238506 (E_RNA)
where:
Base-Base interactions energy: -977.464
where: short stacking energy: -405.350
Base-Backbone interact. energy: -2.974
local terms energy: -436.800362
where:
bonds (distance) C4'-P energy: -86.536
bonds (distance) P-C4' energy: -91.676
flat angles C4'-P-C4' energy: -101.435
flat angles P-C4'-P energy: -55.046
tors. eta vs tors. theta energy: -102.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1291.865860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.865860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.865860 (E_RNA)
where:
Base-Base interactions energy: -832.662
where: short stacking energy: -362.214
Base-Backbone interact. energy: -0.728
local terms energy: -458.475353
where:
bonds (distance) C4'-P energy: -103.789
bonds (distance) P-C4' energy: -101.243
flat angles C4'-P-C4' energy: -108.248
flat angles P-C4'-P energy: -66.042
tors. eta vs tors. theta energy: -79.154
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: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -952.009646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.009646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.009646 (E_RNA)
where:
Base-Base interactions energy: -614.370
where: short stacking energy: -266.143
Base-Backbone interact. energy: -1.524
local terms energy: -336.115440
where:
bonds (distance) C4'-P energy: -71.472
bonds (distance) P-C4' energy: -77.586
flat angles C4'-P-C4' energy: -82.749
flat angles P-C4'-P energy: -64.583
tors. eta vs tors. theta energy: -39.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -581.451306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.451306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.451306 (E_RNA)
where:
Base-Base interactions energy: -273.727
where: short stacking energy: -168.290
Base-Backbone interact. energy: 0.972
local terms energy: -308.696648
where:
bonds (distance) C4'-P energy: -79.828
bonds (distance) P-C4' energy: -89.990
flat angles C4'-P-C4' energy: -89.305
flat angles P-C4'-P energy: -60.146
tors. eta vs tors. theta energy: 10.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1876.080840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.080840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.080840 (E_RNA)
where:
Base-Base interactions energy: -1281.877
where: short stacking energy: -545.399
Base-Backbone interact. energy: -2.247
local terms energy: -591.956505
where:
bonds (distance) C4'-P energy: -112.383
bonds (distance) P-C4' energy: -115.312
flat angles C4'-P-C4' energy: -126.025
flat angles P-C4'-P energy: -79.287
tors. eta vs tors. theta energy: -158.950
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: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1831.683007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.683007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.683007 (E_RNA)
where:
Base-Base interactions energy: -1249.782
where: short stacking energy: -544.830
Base-Backbone interact. energy: -3.383
local terms energy: -578.518037
where:
bonds (distance) C4'-P energy: -107.216
bonds (distance) P-C4' energy: -103.897
flat angles C4'-P-C4' energy: -114.023
flat angles P-C4'-P energy: -90.640
tors. eta vs tors. theta energy: -162.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1749.008645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.008645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.008645 (E_RNA)
where:
Base-Base interactions energy: -1209.814
where: short stacking energy: -518.866
Base-Backbone interact. energy: -0.127
local terms energy: -539.067042
where:
bonds (distance) C4'-P energy: -95.011
bonds (distance) P-C4' energy: -94.356
flat angles C4'-P-C4' energy: -123.077
flat angles P-C4'-P energy: -76.581
tors. eta vs tors. theta energy: -150.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1638.278729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.278729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.278729 (E_RNA)
where:
Base-Base interactions energy: -1130.782
where: short stacking energy: -484.849
Base-Backbone interact. energy: -0.511
local terms energy: -506.985838
where:
bonds (distance) C4'-P energy: -91.244
bonds (distance) P-C4' energy: -94.843
flat angles C4'-P-C4' energy: -102.265
flat angles P-C4'-P energy: -84.079
tors. eta vs tors. theta energy: -134.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1570.554045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.554045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.554045 (E_RNA)
where:
Base-Base interactions energy: -1077.875
where: short stacking energy: -452.662
Base-Backbone interact. energy: -1.351
local terms energy: -491.328224
where:
bonds (distance) C4'-P energy: -90.910
bonds (distance) P-C4' energy: -101.121
flat angles C4'-P-C4' energy: -109.970
flat angles P-C4'-P energy: -69.407
tors. eta vs tors. theta energy: -119.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1514.962714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.962714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.962714 (E_RNA)
where:
Base-Base interactions energy: -1049.702
where: short stacking energy: -451.899
Base-Backbone interact. energy: 4.367
local terms energy: -469.627471
where:
bonds (distance) C4'-P energy: -92.843
bonds (distance) P-C4' energy: -102.239
flat angles C4'-P-C4' energy: -105.284
flat angles P-C4'-P energy: -60.827
tors. eta vs tors. theta energy: -108.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1361.464073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.464073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.464073 (E_RNA)
where:
Base-Base interactions energy: -942.625
where: short stacking energy: -401.626
Base-Backbone interact. energy: -2.398
local terms energy: -416.440750
where:
bonds (distance) C4'-P energy: -78.693
bonds (distance) P-C4' energy: -84.198
flat angles C4'-P-C4' energy: -105.859
flat angles P-C4'-P energy: -46.628
tors. eta vs tors. theta energy: -101.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1284.797898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.797898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.797898 (E_RNA)
where:
Base-Base interactions energy: -863.575
where: short stacking energy: -363.166
Base-Backbone interact. energy: -1.125
local terms energy: -420.097907
where:
bonds (distance) C4'-P energy: -80.713
bonds (distance) P-C4' energy: -99.666
flat angles C4'-P-C4' energy: -95.496
flat angles P-C4'-P energy: -65.839
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: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1028.755423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.755423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.755423 (E_RNA)
where:
Base-Base interactions energy: -672.877
where: short stacking energy: -297.271
Base-Backbone interact. energy: 1.002
local terms energy: -356.880501
where:
bonds (distance) C4'-P energy: -72.648
bonds (distance) P-C4' energy: -92.309
flat angles C4'-P-C4' energy: -95.630
flat angles P-C4'-P energy: -55.704
tors. eta vs tors. theta energy: -40.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -546.420503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.420503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.420503 (E_RNA)
where:
Base-Base interactions energy: -242.626
where: short stacking energy: -134.682
Base-Backbone interact. energy: -1.001
local terms energy: -302.794098
where:
bonds (distance) C4'-P energy: -78.255
bonds (distance) P-C4' energy: -89.606
flat angles C4'-P-C4' energy: -82.209
flat angles P-C4'-P energy: -60.644
tors. eta vs tors. theta energy: 7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1890.239753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.239753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.239753 (E_RNA)
where:
Base-Base interactions energy: -1314.644
where: short stacking energy: -572.911
Base-Backbone interact. energy: -2.471
local terms energy: -573.125003
where:
bonds (distance) C4'-P energy: -108.187
bonds (distance) P-C4' energy: -116.163
flat angles C4'-P-C4' energy: -117.663
flat angles P-C4'-P energy: -74.603
tors. eta vs tors. theta energy: -156.509
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: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1827.448900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.448900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.448900 (E_RNA)
where:
Base-Base interactions energy: -1251.241
where: short stacking energy: -553.160
Base-Backbone interact. energy: -3.147
local terms energy: -573.060686
where:
bonds (distance) C4'-P energy: -112.970
bonds (distance) P-C4' energy: -109.384
flat angles C4'-P-C4' energy: -120.053
flat angles P-C4'-P energy: -81.445
tors. eta vs tors. theta energy: -149.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1754.514825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.514825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.514825 (E_RNA)
where:
Base-Base interactions energy: -1231.641
where: short stacking energy: -523.157
Base-Backbone interact. energy: -1.962
local terms energy: -520.911856
where:
bonds (distance) C4'-P energy: -94.458
bonds (distance) P-C4' energy: -93.896
flat angles C4'-P-C4' energy: -115.989
flat angles P-C4'-P energy: -64.204
tors. eta vs tors. theta energy: -152.365
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: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1606.820229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.820229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.820229 (E_RNA)
where:
Base-Base interactions energy: -1086.717
where: short stacking energy: -470.266
Base-Backbone interact. energy: -1.070
local terms energy: -519.032709
where:
bonds (distance) C4'-P energy: -96.632
bonds (distance) P-C4' energy: -110.475
flat angles C4'-P-C4' energy: -112.878
flat angles P-C4'-P energy: -77.262
tors. eta vs tors. theta energy: -121.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1558.152396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.152396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.152396 (E_RNA)
where:
Base-Base interactions energy: -1074.568
where: short stacking energy: -477.426
Base-Backbone interact. energy: -0.752
local terms energy: -482.832058
where:
bonds (distance) C4'-P energy: -79.428
bonds (distance) P-C4' energy: -103.428
flat angles C4'-P-C4' energy: -114.507
flat angles P-C4'-P energy: -68.110
tors. eta vs tors. theta energy: -117.359
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: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1546.597669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.597669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.597669 (E_RNA)
where:
Base-Base interactions energy: -1051.715
where: short stacking energy: -448.890
Base-Backbone interact. energy: 0.389
local terms energy: -495.271155
where:
bonds (distance) C4'-P energy: -89.938
bonds (distance) P-C4' energy: -95.618
flat angles C4'-P-C4' energy: -103.244
flat angles P-C4'-P energy: -79.682
tors. eta vs tors. theta energy: -126.790
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: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1371.258306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.258306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.258306 (E_RNA)
where:
Base-Base interactions energy: -927.426
where: short stacking energy: -395.541
Base-Backbone interact. energy: -2.557
local terms energy: -441.275273
where:
bonds (distance) C4'-P energy: -83.761
bonds (distance) P-C4' energy: -87.348
flat angles C4'-P-C4' energy: -104.173
flat angles P-C4'-P energy: -63.579
tors. eta vs tors. theta energy: -102.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1271.077058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.077058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.077058 (E_RNA)
where:
Base-Base interactions energy: -867.536
where: short stacking energy: -370.845
Base-Backbone interact. energy: 2.497
local terms energy: -406.038405
where:
bonds (distance) C4'-P energy: -95.381
bonds (distance) P-C4' energy: -92.582
flat angles C4'-P-C4' energy: -88.749
flat angles P-C4'-P energy: -35.745
tors. eta vs tors. theta energy: -93.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -945.534836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.534836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.534836 (E_RNA)
where:
Base-Base interactions energy: -578.437
where: short stacking energy: -260.671
Base-Backbone interact. energy: -0.574
local terms energy: -366.523244
where:
bonds (distance) C4'-P energy: -83.454
bonds (distance) P-C4' energy: -98.051
flat angles C4'-P-C4' energy: -79.379
flat angles P-C4'-P energy: -56.797
tors. eta vs tors. theta energy: -48.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -535.796981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.796981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.796981 (E_RNA)
where:
Base-Base interactions energy: -247.739
where: short stacking energy: -155.633
Base-Backbone interact. energy: 2.329
local terms energy: -290.386853
where:
bonds (distance) C4'-P energy: -76.306
bonds (distance) P-C4' energy: -87.551
flat angles C4'-P-C4' energy: -86.468
flat angles P-C4'-P energy: -40.668
tors. eta vs tors. theta energy: 0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1900.616284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.616284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.616284 (E_RNA)
where:
Base-Base interactions energy: -1318.669
where: short stacking energy: -563.366
Base-Backbone interact. energy: -1.966
local terms energy: -579.980567
where:
bonds (distance) C4'-P energy: -107.430
bonds (distance) P-C4' energy: -110.020
flat angles C4'-P-C4' energy: -115.685
flat angles P-C4'-P energy: -82.769
tors. eta vs tors. theta energy: -164.076
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: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1811.368496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.368496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.368496 (E_RNA)
where:
Base-Base interactions energy: -1249.887
where: short stacking energy: -560.925
Base-Backbone interact. energy: -2.330
local terms energy: -559.151746
where:
bonds (distance) C4'-P energy: -108.036
bonds (distance) P-C4' energy: -100.681
flat angles C4'-P-C4' energy: -115.934
flat angles P-C4'-P energy: -82.213
tors. eta vs tors. theta energy: -152.288
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: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1773.609927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.609927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.609927 (E_RNA)
where:
Base-Base interactions energy: -1220.907
where: short stacking energy: -509.559
Base-Backbone interact. energy: -2.091
local terms energy: -550.612509
where:
bonds (distance) C4'-P energy: -108.598
bonds (distance) P-C4' energy: -98.772
flat angles C4'-P-C4' energy: -110.162
flat angles P-C4'-P energy: -80.774
tors. eta vs tors. theta energy: -152.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1635.035956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.035956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.035956 (E_RNA)
where:
Base-Base interactions energy: -1099.301
where: short stacking energy: -475.287
Base-Backbone interact. energy: 0.235
local terms energy: -535.969998
where:
bonds (distance) C4'-P energy: -110.187
bonds (distance) P-C4' energy: -106.570
flat angles C4'-P-C4' energy: -113.175
flat angles P-C4'-P energy: -69.087
tors. eta vs tors. theta energy: -136.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1588.578408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.578408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.578408 (E_RNA)
where:
Base-Base interactions energy: -1109.781
where: short stacking energy: -459.038
Base-Backbone interact. energy: 0.450
local terms energy: -479.247403
where:
bonds (distance) C4'-P energy: -97.236
bonds (distance) P-C4' energy: -101.747
flat angles C4'-P-C4' energy: -104.630
flat angles P-C4'-P energy: -73.042
tors. eta vs tors. theta energy: -102.591
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: 180
Temperature: 1.150000
Total energy: -1505.006988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.006988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.006988 (E_RNA)
where:
Base-Base interactions energy: -1013.257
where: short stacking energy: -433.788
Base-Backbone interact. energy: 3.306
local terms energy: -495.055356
where:
bonds (distance) C4'-P energy: -108.223
bonds (distance) P-C4' energy: -84.754
flat angles C4'-P-C4' energy: -106.275
flat angles P-C4'-P energy: -75.714
tors. eta vs tors. theta energy: -120.090
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: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1383.250898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.250898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.250898 (E_RNA)
where:
Base-Base interactions energy: -918.699
where: short stacking energy: -389.838
Base-Backbone interact. energy: -0.330
local terms energy: -464.222069
where:
bonds (distance) C4'-P energy: -88.663
bonds (distance) P-C4' energy: -107.310
flat angles C4'-P-C4' energy: -111.119
flat angles P-C4'-P energy: -53.957
tors. eta vs tors. theta energy: -103.174
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: 180
Temperature: 1.250000
Total energy: -1231.015958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.015958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.015958 (E_RNA)
where:
Base-Base interactions energy: -811.865
where: short stacking energy: -349.660
Base-Backbone interact. energy: -1.974
local terms energy: -417.176805
where:
bonds (distance) C4'-P energy: -72.018
bonds (distance) P-C4' energy: -94.491
flat angles C4'-P-C4' energy: -101.943
flat angles P-C4'-P energy: -60.662
tors. eta vs tors. theta energy: -88.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1016.933448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.933448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.933448 (E_RNA)
where:
Base-Base interactions energy: -652.266
where: short stacking energy: -306.126
Base-Backbone interact. energy: -2.139
local terms energy: -362.528224
where:
bonds (distance) C4'-P energy: -93.039
bonds (distance) P-C4' energy: -85.383
flat angles C4'-P-C4' energy: -82.398
flat angles P-C4'-P energy: -45.678
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: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -557.106988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.106988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.106988 (E_RNA)
where:
Base-Base interactions energy: -257.247
where: short stacking energy: -171.976
Base-Backbone interact. energy: 3.507
local terms energy: -303.367211
where:
bonds (distance) C4'-P energy: -84.734
bonds (distance) P-C4' energy: -93.822
flat angles C4'-P-C4' energy: -65.893
flat angles P-C4'-P energy: -46.157
tors. eta vs tors. theta energy: -12.763
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: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1895.088149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.088149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.088149 (E_RNA)
where:
Base-Base interactions energy: -1318.701
where: short stacking energy: -564.607
Base-Backbone interact. energy: -3.908
local terms energy: -572.478951
where:
bonds (distance) C4'-P energy: -94.595
bonds (distance) P-C4' energy: -117.752
flat angles C4'-P-C4' energy: -121.066
flat angles P-C4'-P energy: -76.662
tors. eta vs tors. theta energy: -162.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1827.967737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.967737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.967737 (E_RNA)
where:
Base-Base interactions energy: -1275.701
where: short stacking energy: -523.331
Base-Backbone interact. energy: 1.138
local terms energy: -553.405074
where:
bonds (distance) C4'-P energy: -96.779
bonds (distance) P-C4' energy: -101.178
flat angles C4'-P-C4' energy: -115.530
flat angles P-C4'-P energy: -79.017
tors. eta vs tors. theta energy: -160.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1785.539748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.539748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.539748 (E_RNA)
where:
Base-Base interactions energy: -1223.891
where: short stacking energy: -532.038
Base-Backbone interact. energy: -2.965
local terms energy: -558.684424
where:
bonds (distance) C4'-P energy: -99.187
bonds (distance) P-C4' energy: -99.226
flat angles C4'-P-C4' energy: -121.638
flat angles P-C4'-P energy: -80.878
tors. eta vs tors. theta energy: -157.756
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: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1684.265603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.265603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.265603 (E_RNA)
where:
Base-Base interactions energy: -1155.168
where: short stacking energy: -498.594
Base-Backbone interact. energy: -1.259
local terms energy: -527.838948
where:
bonds (distance) C4'-P energy: -92.937
bonds (distance) P-C4' energy: -101.235
flat angles C4'-P-C4' energy: -115.906
flat angles P-C4'-P energy: -86.330
tors. eta vs tors. theta energy: -131.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1593.228111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.228111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.228111 (E_RNA)
where:
Base-Base interactions energy: -1088.083
where: short stacking energy: -453.155
Base-Backbone interact. energy: 1.812
local terms energy: -506.956950
where:
bonds (distance) C4'-P energy: -100.140
bonds (distance) P-C4' energy: -106.752
flat angles C4'-P-C4' energy: -100.934
flat angles P-C4'-P energy: -74.724
tors. eta vs tors. theta energy: -124.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1523.082727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.082727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.082727 (E_RNA)
where:
Base-Base interactions energy: -1032.055
where: short stacking energy: -458.058
Base-Backbone interact. energy: -2.130
local terms energy: -488.897478
where:
bonds (distance) C4'-P energy: -96.171
bonds (distance) P-C4' energy: -97.688
flat angles C4'-P-C4' energy: -102.566
flat angles P-C4'-P energy: -66.455
tors. eta vs tors. theta energy: -126.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1362.604528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.604528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.604528 (E_RNA)
where:
Base-Base interactions energy: -920.633
where: short stacking energy: -381.626
Base-Backbone interact. energy: -2.352
local terms energy: -439.619466
where:
bonds (distance) C4'-P energy: -89.567
bonds (distance) P-C4' energy: -102.464
flat angles C4'-P-C4' energy: -98.148
flat angles P-C4'-P energy: -66.552
tors. eta vs tors. theta energy: -82.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1207.740013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.740013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.740013 (E_RNA)
where:
Base-Base interactions energy: -810.022
where: short stacking energy: -355.446
Base-Backbone interact. energy: -0.710
local terms energy: -397.007757
where:
bonds (distance) C4'-P energy: -73.224
bonds (distance) P-C4' energy: -95.051
flat angles C4'-P-C4' energy: -98.051
flat angles P-C4'-P energy: -50.236
tors. eta vs tors. theta energy: -80.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -967.461647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.461647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.461647 (E_RNA)
where:
Base-Base interactions energy: -581.846
where: short stacking energy: -257.357
Base-Backbone interact. energy: -1.204
local terms energy: -384.411430
where:
bonds (distance) C4'-P energy: -99.240
bonds (distance) P-C4' energy: -94.747
flat angles C4'-P-C4' energy: -99.503
flat angles P-C4'-P energy: -55.910
tors. eta vs tors. theta energy: -35.012
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: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -612.700039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.700039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.700039 (E_RNA)
where:
Base-Base interactions energy: -323.701
where: short stacking energy: -164.232
Base-Backbone interact. energy: 2.096
local terms energy: -291.095253
where:
bonds (distance) C4'-P energy: -88.317
bonds (distance) P-C4' energy: -85.599
flat angles C4'-P-C4' energy: -75.253
flat angles P-C4'-P energy: -48.372
tors. eta vs tors. theta energy: 6.446
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: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1904.560103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.560103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.560103 (E_RNA)
where:
Base-Base interactions energy: -1299.035
where: short stacking energy: -549.468
Base-Backbone interact. energy: -3.293
local terms energy: -602.231688
where:
bonds (distance) C4'-P energy: -115.996
bonds (distance) P-C4' energy: -108.473
flat angles C4'-P-C4' energy: -130.419
flat angles P-C4'-P energy: -82.590
tors. eta vs tors. theta energy: -164.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1823.954039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.954039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.954039 (E_RNA)
where:
Base-Base interactions energy: -1266.569
where: short stacking energy: -534.437
Base-Backbone interact. energy: -2.693
local terms energy: -554.691293
where:
bonds (distance) C4'-P energy: -102.918
bonds (distance) P-C4' energy: -100.564
flat angles C4'-P-C4' energy: -108.153
flat angles P-C4'-P energy: -78.661
tors. eta vs tors. theta energy: -164.396
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: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1767.618413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.618413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.618413 (E_RNA)
where:
Base-Base interactions energy: -1235.636
where: short stacking energy: -532.788
Base-Backbone interact. energy: 2.645
local terms energy: -534.627386
where:
bonds (distance) C4'-P energy: -97.194
bonds (distance) P-C4' energy: -90.195
flat angles C4'-P-C4' energy: -113.731
flat angles P-C4'-P energy: -86.789
tors. eta vs tors. theta energy: -146.718
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: 182
Temperature: 1.050000
Total energy: -1642.576777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.576777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.576777 (E_RNA)
where:
Base-Base interactions energy: -1114.584
where: short stacking energy: -460.711
Base-Backbone interact. energy: -3.079
local terms energy: -524.912849
where:
bonds (distance) C4'-P energy: -110.236
bonds (distance) P-C4' energy: -104.847
flat angles C4'-P-C4' energy: -114.984
flat angles P-C4'-P energy: -63.502
tors. eta vs tors. theta energy: -131.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1574.826946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.826946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.826946 (E_RNA)
where:
Base-Base interactions energy: -1095.591
where: short stacking energy: -440.138
Base-Backbone interact. energy: 2.010
local terms energy: -481.245964
where:
bonds (distance) C4'-P energy: -101.609
bonds (distance) P-C4' energy: -92.483
flat angles C4'-P-C4' energy: -108.434
flat angles P-C4'-P energy: -72.503
tors. eta vs tors. theta energy: -106.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1510.634960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.634960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.634960 (E_RNA)
where:
Base-Base interactions energy: -1040.246
where: short stacking energy: -442.307
Base-Backbone interact. energy: -2.102
local terms energy: -468.287624
where:
bonds (distance) C4'-P energy: -79.385
bonds (distance) P-C4' energy: -102.830
flat angles C4'-P-C4' energy: -109.445
flat angles P-C4'-P energy: -66.144
tors. eta vs tors. theta energy: -110.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1347.924949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.924949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.924949 (E_RNA)
where:
Base-Base interactions energy: -907.785
where: short stacking energy: -356.656
Base-Backbone interact. energy: -2.246
local terms energy: -437.894203
where:
bonds (distance) C4'-P energy: -84.921
bonds (distance) P-C4' energy: -96.868
flat angles C4'-P-C4' energy: -108.775
flat angles P-C4'-P energy: -54.431
tors. eta vs tors. theta energy: -92.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1271.535567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.535567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.535567 (E_RNA)
where:
Base-Base interactions energy: -849.842
where: short stacking energy: -377.043
Base-Backbone interact. energy: -0.226
local terms energy: -421.467885
where:
bonds (distance) C4'-P energy: -94.760
bonds (distance) P-C4' energy: -101.986
flat angles C4'-P-C4' energy: -89.442
flat angles P-C4'-P energy: -52.874
tors. eta vs tors. theta energy: -82.406
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: 182
Temperature: 1.300000
Total energy: -940.094001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.094001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.094001 (E_RNA)
where:
Base-Base interactions energy: -576.311
where: short stacking energy: -240.723
Base-Backbone interact. energy: 3.112
local terms energy: -366.895136
where:
bonds (distance) C4'-P energy: -85.604
bonds (distance) P-C4' energy: -102.134
flat angles C4'-P-C4' energy: -94.925
flat angles P-C4'-P energy: -62.678
tors. eta vs tors. theta energy: -21.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -560.054580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.054580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.054580 (E_RNA)
where:
Base-Base interactions energy: -268.396
where: short stacking energy: -151.380
Base-Backbone interact. energy: 1.822
local terms energy: -293.480172
where:
bonds (distance) C4'-P energy: -96.484
bonds (distance) P-C4' energy: -73.166
flat angles C4'-P-C4' energy: -90.462
flat angles P-C4'-P energy: -39.374
tors. eta vs tors. theta energy: 6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1925.834853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.834853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.834853 (E_RNA)
where:
Base-Base interactions energy: -1313.072
where: short stacking energy: -566.613
Base-Backbone interact. energy: 0.029
local terms energy: -612.791017
where:
bonds (distance) C4'-P energy: -111.348
bonds (distance) P-C4' energy: -115.245
flat angles C4'-P-C4' energy: -126.358
flat angles P-C4'-P energy: -84.341
tors. eta vs tors. theta energy: -175.500
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: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1775.018498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.018498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.018498 (E_RNA)
where:
Base-Base interactions energy: -1241.122
where: short stacking energy: -516.870
Base-Backbone interact. energy: -3.657
local terms energy: -530.239706
where:
bonds (distance) C4'-P energy: -98.089
bonds (distance) P-C4' energy: -101.486
flat angles C4'-P-C4' energy: -123.251
flat angles P-C4'-P energy: -68.066
tors. eta vs tors. theta energy: -139.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1759.319170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.319170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.319170 (E_RNA)
where:
Base-Base interactions energy: -1193.435
where: short stacking energy: -514.085
Base-Backbone interact. energy: -1.271
local terms energy: -564.613688
where:
bonds (distance) C4'-P energy: -104.454
bonds (distance) P-C4' energy: -107.811
flat angles C4'-P-C4' energy: -118.325
flat angles P-C4'-P energy: -86.964
tors. eta vs tors. theta energy: -147.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1643.389090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.389090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.389090 (E_RNA)
where:
Base-Base interactions energy: -1116.189
where: short stacking energy: -460.546
Base-Backbone interact. energy: -1.039
local terms energy: -526.161034
where:
bonds (distance) C4'-P energy: -87.761
bonds (distance) P-C4' energy: -102.828
flat angles C4'-P-C4' energy: -117.250
flat angles P-C4'-P energy: -80.664
tors. eta vs tors. theta energy: -137.658
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: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1560.921098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.921098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.921098 (E_RNA)
where:
Base-Base interactions energy: -1082.241
where: short stacking energy: -464.471
Base-Backbone interact. energy: 1.768
local terms energy: -480.447878
where:
bonds (distance) C4'-P energy: -89.753
bonds (distance) P-C4' energy: -97.997
flat angles C4'-P-C4' energy: -100.380
flat angles P-C4'-P energy: -67.443
tors. eta vs tors. theta energy: -124.875
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: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1509.055641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.055641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.055641 (E_RNA)
where:
Base-Base interactions energy: -1020.735
where: short stacking energy: -428.623
Base-Backbone interact. energy: -1.678
local terms energy: -486.642750
where:
bonds (distance) C4'-P energy: -81.525
bonds (distance) P-C4' energy: -98.951
flat angles C4'-P-C4' energy: -117.698
flat angles P-C4'-P energy: -72.805
tors. eta vs tors. theta energy: -115.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1317.479079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.479079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.479079 (E_RNA)
where:
Base-Base interactions energy: -886.123
where: short stacking energy: -381.193
Base-Backbone interact. energy: 1.348
local terms energy: -432.704465
where:
bonds (distance) C4'-P energy: -97.008
bonds (distance) P-C4' energy: -93.730
flat angles C4'-P-C4' energy: -90.477
flat angles P-C4'-P energy: -69.674
tors. eta vs tors. theta energy: -81.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1234.064662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.064662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.064662 (E_RNA)
where:
Base-Base interactions energy: -824.060
where: short stacking energy: -340.585
Base-Backbone interact. energy: -2.415
local terms energy: -407.589964
where:
bonds (distance) C4'-P energy: -86.363
bonds (distance) P-C4' energy: -81.123
flat angles C4'-P-C4' energy: -88.076
flat angles P-C4'-P energy: -64.358
tors. eta vs tors. theta energy: -87.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -918.339729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.339729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.339729 (E_RNA)
where:
Base-Base interactions energy: -547.736
where: short stacking energy: -252.697
Base-Backbone interact. energy: -0.674
local terms energy: -369.929765
where:
bonds (distance) C4'-P energy: -91.801
bonds (distance) P-C4' energy: -96.740
flat angles C4'-P-C4' energy: -84.577
flat angles P-C4'-P energy: -68.174
tors. eta vs tors. theta energy: -28.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -513.648621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.648621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.648621 (E_RNA)
where:
Base-Base interactions energy: -206.403
where: short stacking energy: -135.501
Base-Backbone interact. energy: -3.060
local terms energy: -304.185557
where:
bonds (distance) C4'-P energy: -93.259
bonds (distance) P-C4' energy: -82.757
flat angles C4'-P-C4' energy: -70.003
flat angles P-C4'-P energy: -64.083
tors. eta vs tors. theta energy: 5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1949.880623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.880623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.880623 (E_RNA)
where:
Base-Base interactions energy: -1334.661
where: short stacking energy: -562.890
Base-Backbone interact. energy: -1.424
local terms energy: -613.795780
where:
bonds (distance) C4'-P energy: -114.445
bonds (distance) P-C4' energy: -110.291
flat angles C4'-P-C4' energy: -125.221
flat angles P-C4'-P energy: -89.307
tors. eta vs tors. theta energy: -174.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1827.013953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.013953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.013953 (E_RNA)
where:
Base-Base interactions energy: -1258.447
where: short stacking energy: -513.174
Base-Backbone interact. energy: 0.491
local terms energy: -569.058924
where:
bonds (distance) C4'-P energy: -114.440
bonds (distance) P-C4' energy: -113.322
flat angles C4'-P-C4' energy: -112.643
flat angles P-C4'-P energy: -81.590
tors. eta vs tors. theta energy: -147.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1769.913758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.913758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.913758 (E_RNA)
where:
Base-Base interactions energy: -1231.160
where: short stacking energy: -541.760
Base-Backbone interact. energy: -1.339
local terms energy: -537.414543
where:
bonds (distance) C4'-P energy: -91.431
bonds (distance) P-C4' energy: -103.186
flat angles C4'-P-C4' energy: -117.619
flat angles P-C4'-P energy: -65.064
tors. eta vs tors. theta energy: -160.114
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: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1618.480808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.480808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.480808 (E_RNA)
where:
Base-Base interactions energy: -1120.153
where: short stacking energy: -469.089
Base-Backbone interact. energy: -2.371
local terms energy: -495.956763
where:
bonds (distance) C4'-P energy: -94.087
bonds (distance) P-C4' energy: -99.267
flat angles C4'-P-C4' energy: -102.604
flat angles P-C4'-P energy: -65.643
tors. eta vs tors. theta energy: -134.356
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: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1560.967159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.967159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.967159 (E_RNA)
where:
Base-Base interactions energy: -1065.302
where: short stacking energy: -442.894
Base-Backbone interact. energy: -3.405
local terms energy: -492.260296
where:
bonds (distance) C4'-P energy: -85.347
bonds (distance) P-C4' energy: -106.902
flat angles C4'-P-C4' energy: -112.086
flat angles P-C4'-P energy: -69.403
tors. eta vs tors. theta energy: -118.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1505.736392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.736392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.736392 (E_RNA)
where:
Base-Base interactions energy: -1029.450
where: short stacking energy: -472.653
Base-Backbone interact. energy: 3.236
local terms energy: -479.521821
where:
bonds (distance) C4'-P energy: -92.203
bonds (distance) P-C4' energy: -90.302
flat angles C4'-P-C4' energy: -106.971
flat angles P-C4'-P energy: -65.495
tors. eta vs tors. theta energy: -124.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1325.715451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.715451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.715451 (E_RNA)
where:
Base-Base interactions energy: -877.714
where: short stacking energy: -370.464
Base-Backbone interact. energy: 0.855
local terms energy: -448.856591
where:
bonds (distance) C4'-P energy: -102.858
bonds (distance) P-C4' energy: -97.453
flat angles C4'-P-C4' energy: -102.521
flat angles P-C4'-P energy: -68.779
tors. eta vs tors. theta energy: -77.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1199.650691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.650691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.650691 (E_RNA)
where:
Base-Base interactions energy: -787.560
where: short stacking energy: -344.566
Base-Backbone interact. energy: -1.253
local terms energy: -410.837364
where:
bonds (distance) C4'-P energy: -92.930
bonds (distance) P-C4' energy: -79.602
flat angles C4'-P-C4' energy: -98.264
flat angles P-C4'-P energy: -58.632
tors. eta vs tors. theta energy: -81.410
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: 184
Temperature: 1.300000
Total energy: -923.540590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.540590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.540590 (E_RNA)
where:
Base-Base interactions energy: -557.137
where: short stacking energy: -284.130
Base-Backbone interact. energy: -1.769
local terms energy: -364.634492
where:
bonds (distance) C4'-P energy: -80.814
bonds (distance) P-C4' energy: -96.846
flat angles C4'-P-C4' energy: -84.585
flat angles P-C4'-P energy: -62.842
tors. eta vs tors. theta energy: -39.547
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: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -583.407309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.407309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.407309 (E_RNA)
where:
Base-Base interactions energy: -299.614
where: short stacking energy: -151.495
Base-Backbone interact. energy: -0.196
local terms energy: -283.597337
where:
bonds (distance) C4'-P energy: -94.532
bonds (distance) P-C4' energy: -76.753
flat angles C4'-P-C4' energy: -81.906
flat angles P-C4'-P energy: -37.564
tors. eta vs tors. theta energy: 7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1970.742176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.742176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.742176 (E_RNA)
where:
Base-Base interactions energy: -1360.792
where: short stacking energy: -579.497
Base-Backbone interact. energy: -2.565
local terms energy: -607.386044
where:
bonds (distance) C4'-P energy: -102.783
bonds (distance) P-C4' energy: -106.910
flat angles C4'-P-C4' energy: -126.936
flat angles P-C4'-P energy: -94.998
tors. eta vs tors. theta energy: -175.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1830.611587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.611587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.611587 (E_RNA)
where:
Base-Base interactions energy: -1289.155
where: short stacking energy: -545.948
Base-Backbone interact. energy: -1.198
local terms energy: -540.258441
where:
bonds (distance) C4'-P energy: -101.307
bonds (distance) P-C4' energy: -99.562
flat angles C4'-P-C4' energy: -115.718
flat angles P-C4'-P energy: -66.183
tors. eta vs tors. theta energy: -157.488
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: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1766.743637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.743637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.743637 (E_RNA)
where:
Base-Base interactions energy: -1205.134
where: short stacking energy: -512.687
Base-Backbone interact. energy: -4.184
local terms energy: -557.425149
where:
bonds (distance) C4'-P energy: -101.110
bonds (distance) P-C4' energy: -112.229
flat angles C4'-P-C4' energy: -117.592
flat angles P-C4'-P energy: -82.911
tors. eta vs tors. theta energy: -143.584
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: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1621.953754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.953754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.953754 (E_RNA)
where:
Base-Base interactions energy: -1123.272
where: short stacking energy: -463.606
Base-Backbone interact. energy: -1.630
local terms energy: -497.052319
where:
bonds (distance) C4'-P energy: -95.119
bonds (distance) P-C4' energy: -95.008
flat angles C4'-P-C4' energy: -119.936
flat angles P-C4'-P energy: -69.947
tors. eta vs tors. theta energy: -117.042
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: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1604.203860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.203860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.203860 (E_RNA)
where:
Base-Base interactions energy: -1126.119
where: short stacking energy: -459.335
Base-Backbone interact. energy: 2.241
local terms energy: -480.326691
where:
bonds (distance) C4'-P energy: -84.711
bonds (distance) P-C4' energy: -90.173
flat angles C4'-P-C4' energy: -104.615
flat angles P-C4'-P energy: -70.941
tors. eta vs tors. theta energy: -129.885
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: 185
Temperature: 1.150000
Total energy: -1520.975405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.975405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.975405 (E_RNA)
where:
Base-Base interactions energy: -1035.660
where: short stacking energy: -439.905
Base-Backbone interact. energy: -1.086
local terms energy: -484.229598
where:
bonds (distance) C4'-P energy: -92.326
bonds (distance) P-C4' energy: -102.158
flat angles C4'-P-C4' energy: -98.626
flat angles P-C4'-P energy: -74.002
tors. eta vs tors. theta energy: -117.117
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: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1291.959240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.959240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.959240 (E_RNA)
where:
Base-Base interactions energy: -840.097
where: short stacking energy: -344.258
Base-Backbone interact. energy: -2.754
local terms energy: -449.108361
where:
bonds (distance) C4'-P energy: -81.532
bonds (distance) P-C4' energy: -100.811
flat angles C4'-P-C4' energy: -100.084
flat angles P-C4'-P energy: -78.001
tors. eta vs tors. theta energy: -88.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1230.759111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.759111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.759111 (E_RNA)
where:
Base-Base interactions energy: -816.798
where: short stacking energy: -337.028
Base-Backbone interact. energy: 4.112
local terms energy: -418.072491
where:
bonds (distance) C4'-P energy: -91.444
bonds (distance) P-C4' energy: -103.401
flat angles C4'-P-C4' energy: -84.529
flat angles P-C4'-P energy: -61.427
tors. eta vs tors. theta energy: -77.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -941.698868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.698868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.698868 (E_RNA)
where:
Base-Base interactions energy: -578.979
where: short stacking energy: -273.100
Base-Backbone interact. energy: 2.246
local terms energy: -364.965323
where:
bonds (distance) C4'-P energy: -79.753
bonds (distance) P-C4' energy: -96.251
flat angles C4'-P-C4' energy: -78.675
flat angles P-C4'-P energy: -59.913
tors. eta vs tors. theta energy: -50.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -607.692053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.692053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.692053 (E_RNA)
where:
Base-Base interactions energy: -330.055
where: short stacking energy: -197.256
Base-Backbone interact. energy: -2.799
local terms energy: -274.838152
where:
bonds (distance) C4'-P energy: -69.540
bonds (distance) P-C4' energy: -79.277
flat angles C4'-P-C4' energy: -80.166
flat angles P-C4'-P energy: -37.238
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1911.214225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.214225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.214225 (E_RNA)
where:
Base-Base interactions energy: -1308.672
where: short stacking energy: -549.130
Base-Backbone interact. energy: 0.060
local terms energy: -602.602856
where:
bonds (distance) C4'-P energy: -113.402
bonds (distance) P-C4' energy: -111.352
flat angles C4'-P-C4' energy: -117.091
flat angles P-C4'-P energy: -88.831
tors. eta vs tors. theta energy: -171.927
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: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1835.530364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.530364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.530364 (E_RNA)
where:
Base-Base interactions energy: -1254.641
where: short stacking energy: -532.614
Base-Backbone interact. energy: -3.549
local terms energy: -577.340239
where:
bonds (distance) C4'-P energy: -105.720
bonds (distance) P-C4' energy: -107.240
flat angles C4'-P-C4' energy: -117.431
flat angles P-C4'-P energy: -82.419
tors. eta vs tors. theta energy: -164.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1775.947588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.947588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.947588 (E_RNA)
where:
Base-Base interactions energy: -1215.380
where: short stacking energy: -520.434
Base-Backbone interact. energy: -2.097
local terms energy: -558.470192
where:
bonds (distance) C4'-P energy: -103.154
bonds (distance) P-C4' energy: -111.470
flat angles C4'-P-C4' energy: -121.338
flat angles P-C4'-P energy: -77.449
tors. eta vs tors. theta energy: -145.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1670.491802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.491802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.491802 (E_RNA)
where:
Base-Base interactions energy: -1152.364
where: short stacking energy: -482.635
Base-Backbone interact. energy: -4.422
local terms energy: -513.705860
where:
bonds (distance) C4'-P energy: -94.101
bonds (distance) P-C4' energy: -103.042
flat angles C4'-P-C4' energy: -107.410
flat angles P-C4'-P energy: -77.126
tors. eta vs tors. theta energy: -132.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1616.662493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.662493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.662493 (E_RNA)
where:
Base-Base interactions energy: -1095.117
where: short stacking energy: -452.634
Base-Backbone interact. energy: -3.026
local terms energy: -518.520197
where:
bonds (distance) C4'-P energy: -97.609
bonds (distance) P-C4' energy: -104.656
flat angles C4'-P-C4' energy: -109.447
flat angles P-C4'-P energy: -73.134
tors. eta vs tors. theta energy: -133.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1512.528670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.528670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.528670 (E_RNA)
where:
Base-Base interactions energy: -1042.029
where: short stacking energy: -449.103
Base-Backbone interact. energy: -1.230
local terms energy: -469.269412
where:
bonds (distance) C4'-P energy: -84.185
bonds (distance) P-C4' energy: -107.006
flat angles C4'-P-C4' energy: -104.708
flat angles P-C4'-P energy: -62.958
tors. eta vs tors. theta energy: -110.413
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: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1259.863819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.863819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.863819 (E_RNA)
where:
Base-Base interactions energy: -833.815
where: short stacking energy: -353.499
Base-Backbone interact. energy: -1.423
local terms energy: -424.626053
where:
bonds (distance) C4'-P energy: -87.887
bonds (distance) P-C4' energy: -97.754
flat angles C4'-P-C4' energy: -102.090
flat angles P-C4'-P energy: -61.343
tors. eta vs tors. theta energy: -75.551
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: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1264.901960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.901960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.901960 (E_RNA)
where:
Base-Base interactions energy: -834.132
where: short stacking energy: -357.390
Base-Backbone interact. energy: 1.360
local terms energy: -432.130471
where:
bonds (distance) C4'-P energy: -87.870
bonds (distance) P-C4' energy: -86.234
flat angles C4'-P-C4' energy: -102.874
flat angles P-C4'-P energy: -62.646
tors. eta vs tors. theta energy: -92.507
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: 186
Temperature: 1.300000
Total energy: -972.384354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.384354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.384354 (E_RNA)
where:
Base-Base interactions energy: -608.696
where: short stacking energy: -265.663
Base-Backbone interact. energy: 2.337
local terms energy: -366.025539
where:
bonds (distance) C4'-P energy: -89.332
bonds (distance) P-C4' energy: -100.290
flat angles C4'-P-C4' energy: -67.908
flat angles P-C4'-P energy: -60.504
tors. eta vs tors. theta energy: -47.992
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: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -574.799074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.799074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.799074 (E_RNA)
where:
Base-Base interactions energy: -281.660
where: short stacking energy: -173.054
Base-Backbone interact. energy: -3.342
local terms energy: -289.796772
where:
bonds (distance) C4'-P energy: -81.208
bonds (distance) P-C4' energy: -95.747
flat angles C4'-P-C4' energy: -85.928
flat angles P-C4'-P energy: -37.101
tors. eta vs tors. theta energy: 10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1928.507680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.507680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.507680 (E_RNA)
where:
Base-Base interactions energy: -1329.827
where: short stacking energy: -555.988
Base-Backbone interact. energy: -1.367
local terms energy: -597.313147
where:
bonds (distance) C4'-P energy: -106.653
bonds (distance) P-C4' energy: -99.737
flat angles C4'-P-C4' energy: -120.437
flat angles P-C4'-P energy: -94.576
tors. eta vs tors. theta energy: -175.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1826.466801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.466801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.466801 (E_RNA)
where:
Base-Base interactions energy: -1246.383
where: short stacking energy: -526.294
Base-Backbone interact. energy: -3.163
local terms energy: -576.920077
where:
bonds (distance) C4'-P energy: -105.829
bonds (distance) P-C4' energy: -111.275
flat angles C4'-P-C4' energy: -117.058
flat angles P-C4'-P energy: -81.780
tors. eta vs tors. theta energy: -160.978
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: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1772.131375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.131375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.131375 (E_RNA)
where:
Base-Base interactions energy: -1220.671
where: short stacking energy: -528.520
Base-Backbone interact. energy: -1.262
local terms energy: -550.199203
where:
bonds (distance) C4'-P energy: -98.127
bonds (distance) P-C4' energy: -99.440
flat angles C4'-P-C4' energy: -118.582
flat angles P-C4'-P energy: -78.497
tors. eta vs tors. theta energy: -155.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1645.654986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.654986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.654986 (E_RNA)
where:
Base-Base interactions energy: -1139.131
where: short stacking energy: -481.047
Base-Backbone interact. energy: 5.695
local terms energy: -512.218377
where:
bonds (distance) C4'-P energy: -99.858
bonds (distance) P-C4' energy: -106.492
flat angles C4'-P-C4' energy: -103.874
flat angles P-C4'-P energy: -71.852
tors. eta vs tors. theta energy: -130.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1541.886023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.886023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.886023 (E_RNA)
where:
Base-Base interactions energy: -1054.967
where: short stacking energy: -434.881
Base-Backbone interact. energy: -2.960
local terms energy: -483.958585
where:
bonds (distance) C4'-P energy: -93.141
bonds (distance) P-C4' energy: -94.498
flat angles C4'-P-C4' energy: -114.850
flat angles P-C4'-P energy: -65.226
tors. eta vs tors. theta energy: -116.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1559.346974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.346974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.346974 (E_RNA)
where:
Base-Base interactions energy: -1053.864
where: short stacking energy: -474.140
Base-Backbone interact. energy: -0.301
local terms energy: -505.182154
where:
bonds (distance) C4'-P energy: -96.006
bonds (distance) P-C4' energy: -96.751
flat angles C4'-P-C4' energy: -109.793
flat angles P-C4'-P energy: -61.394
tors. eta vs tors. theta energy: -141.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1270.505354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.505354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.505354 (E_RNA)
where:
Base-Base interactions energy: -831.771
where: short stacking energy: -373.374
Base-Backbone interact. energy: -0.374
local terms energy: -438.360272
where:
bonds (distance) C4'-P energy: -117.514
bonds (distance) P-C4' energy: -81.774
flat angles C4'-P-C4' energy: -100.648
flat angles P-C4'-P energy: -64.310
tors. eta vs tors. theta energy: -74.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1215.187389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.187389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.187389 (E_RNA)
where:
Base-Base interactions energy: -788.401
where: short stacking energy: -350.185
Base-Backbone interact. energy: 0.415
local terms energy: -427.200832
where:
bonds (distance) C4'-P energy: -92.047
bonds (distance) P-C4' energy: -79.190
flat angles C4'-P-C4' energy: -109.683
flat angles P-C4'-P energy: -66.817
tors. eta vs tors. theta energy: -79.464
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: 187
Temperature: 1.300000
Total energy: -960.475281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.475281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.475281 (E_RNA)
where:
Base-Base interactions energy: -615.901
where: short stacking energy: -275.204
Base-Backbone interact. energy: -0.195
local terms energy: -344.379731
where:
bonds (distance) C4'-P energy: -73.009
bonds (distance) P-C4' energy: -89.503
flat angles C4'-P-C4' energy: -88.276
flat angles P-C4'-P energy: -50.686
tors. eta vs tors. theta energy: -42.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -651.452614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.452614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.452614 (E_RNA)
where:
Base-Base interactions energy: -360.012
where: short stacking energy: -181.621
Base-Backbone interact. energy: 0.266
local terms energy: -291.706134
where:
bonds (distance) C4'-P energy: -69.632
bonds (distance) P-C4' energy: -93.082
flat angles C4'-P-C4' energy: -78.808
flat angles P-C4'-P energy: -46.185
tors. eta vs tors. theta energy: -3.998
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: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1902.355373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.355373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.355373 (E_RNA)
where:
Base-Base interactions energy: -1315.346
where: short stacking energy: -574.706
Base-Backbone interact. energy: -6.148
local terms energy: -580.860784
where:
bonds (distance) C4'-P energy: -102.411
bonds (distance) P-C4' energy: -109.519
flat angles C4'-P-C4' energy: -113.226
flat angles P-C4'-P energy: -86.150
tors. eta vs tors. theta energy: -169.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1785.574116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.574116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.574116 (E_RNA)
where:
Base-Base interactions energy: -1227.224
where: short stacking energy: -490.561
Base-Backbone interact. energy: -2.705
local terms energy: -555.645447
where:
bonds (distance) C4'-P energy: -100.956
bonds (distance) P-C4' energy: -118.944
flat angles C4'-P-C4' energy: -128.267
flat angles P-C4'-P energy: -70.328
tors. eta vs tors. theta energy: -137.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1819.440900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.440900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.440900 (E_RNA)
where:
Base-Base interactions energy: -1241.045
where: short stacking energy: -527.274
Base-Backbone interact. energy: -2.869
local terms energy: -575.527072
where:
bonds (distance) C4'-P energy: -98.033
bonds (distance) P-C4' energy: -118.811
flat angles C4'-P-C4' energy: -114.832
flat angles P-C4'-P energy: -88.955
tors. eta vs tors. theta energy: -154.897
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: 188
Temperature: 1.050000
Total energy: -1654.428584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.428584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.428584 (E_RNA)
where:
Base-Base interactions energy: -1155.682
where: short stacking energy: -471.307
Base-Backbone interact. energy: 2.063
local terms energy: -500.809867
where:
bonds (distance) C4'-P energy: -96.479
bonds (distance) P-C4' energy: -110.242
flat angles C4'-P-C4' energy: -113.566
flat angles P-C4'-P energy: -56.868
tors. eta vs tors. theta energy: -123.654
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: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1580.557938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.557938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.557938 (E_RNA)
where:
Base-Base interactions energy: -1060.649
where: short stacking energy: -461.503
Base-Backbone interact. energy: -3.266
local terms energy: -516.642465
where:
bonds (distance) C4'-P energy: -110.253
bonds (distance) P-C4' energy: -98.948
flat angles C4'-P-C4' energy: -111.375
flat angles P-C4'-P energy: -71.195
tors. eta vs tors. theta energy: -124.872
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: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1481.450083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.450083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.450083 (E_RNA)
where:
Base-Base interactions energy: -998.959
where: short stacking energy: -416.605
Base-Backbone interact. energy: -1.691
local terms energy: -480.799801
where:
bonds (distance) C4'-P energy: -102.384
bonds (distance) P-C4' energy: -85.811
flat angles C4'-P-C4' energy: -100.882
flat angles P-C4'-P energy: -76.976
tors. eta vs tors. theta energy: -114.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1272.191105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.191105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.191105 (E_RNA)
where:
Base-Base interactions energy: -864.547
where: short stacking energy: -354.547
Base-Backbone interact. energy: -1.634
local terms energy: -406.009562
where:
bonds (distance) C4'-P energy: -81.625
bonds (distance) P-C4' energy: -83.439
flat angles C4'-P-C4' energy: -84.768
flat angles P-C4'-P energy: -68.738
tors. eta vs tors. theta energy: -87.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1192.337787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.337787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.337787 (E_RNA)
where:
Base-Base interactions energy: -781.893
where: short stacking energy: -357.781
Base-Backbone interact. energy: -2.173
local terms energy: -408.271527
where:
bonds (distance) C4'-P energy: -93.612
bonds (distance) P-C4' energy: -74.457
flat angles C4'-P-C4' energy: -99.874
flat angles P-C4'-P energy: -59.886
tors. eta vs tors. theta energy: -80.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1059.966308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.966308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.966308 (E_RNA)
where:
Base-Base interactions energy: -674.614
where: short stacking energy: -265.813
Base-Backbone interact. energy: -3.441
local terms energy: -381.911393
where:
bonds (distance) C4'-P energy: -78.018
bonds (distance) P-C4' energy: -100.423
flat angles C4'-P-C4' energy: -82.575
flat angles P-C4'-P energy: -67.113
tors. eta vs tors. theta energy: -53.783
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: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -631.204547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.204547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.204547 (E_RNA)
where:
Base-Base interactions energy: -324.162
where: short stacking energy: -188.393
Base-Backbone interact. energy: 3.251
local terms energy: -310.293796
where:
bonds (distance) C4'-P energy: -97.408
bonds (distance) P-C4' energy: -91.827
flat angles C4'-P-C4' energy: -65.839
flat angles P-C4'-P energy: -42.286
tors. eta vs tors. theta energy: -12.933
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: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1904.560705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.560705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.560705 (E_RNA)
where:
Base-Base interactions energy: -1313.244
where: short stacking energy: -572.006
Base-Backbone interact. energy: -0.009
local terms energy: -591.307718
where:
bonds (distance) C4'-P energy: -99.823
bonds (distance) P-C4' energy: -103.520
flat angles C4'-P-C4' energy: -129.138
flat angles P-C4'-P energy: -89.702
tors. eta vs tors. theta energy: -169.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1809.261792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.261792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.261792 (E_RNA)
where:
Base-Base interactions energy: -1233.615
where: short stacking energy: -525.154
Base-Backbone interact. energy: -4.642
local terms energy: -571.005326
where:
bonds (distance) C4'-P energy: -101.299
bonds (distance) P-C4' energy: -104.152
flat angles C4'-P-C4' energy: -119.452
flat angles P-C4'-P energy: -84.879
tors. eta vs tors. theta energy: -161.223
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: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1738.092286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.092286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.092286 (E_RNA)
where:
Base-Base interactions energy: -1190.985
where: short stacking energy: -512.119
Base-Backbone interact. energy: -0.830
local terms energy: -546.277893
where:
bonds (distance) C4'-P energy: -112.015
bonds (distance) P-C4' energy: -100.719
flat angles C4'-P-C4' energy: -114.518
flat angles P-C4'-P energy: -74.660
tors. eta vs tors. theta energy: -144.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1634.535161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.535161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.535161 (E_RNA)
where:
Base-Base interactions energy: -1147.413
where: short stacking energy: -470.399
Base-Backbone interact. energy: -1.995
local terms energy: -485.126988
where:
bonds (distance) C4'-P energy: -99.871
bonds (distance) P-C4' energy: -100.192
flat angles C4'-P-C4' energy: -104.508
flat angles P-C4'-P energy: -51.398
tors. eta vs tors. theta energy: -129.158
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: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1574.742208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.742208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.742208 (E_RNA)
where:
Base-Base interactions energy: -1070.905
where: short stacking energy: -467.879
Base-Backbone interact. energy: 2.472
local terms energy: -506.309605
where:
bonds (distance) C4'-P energy: -86.910
bonds (distance) P-C4' energy: -105.687
flat angles C4'-P-C4' energy: -97.225
flat angles P-C4'-P energy: -83.198
tors. eta vs tors. theta energy: -133.289
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: 189
Temperature: 1.150000
Total energy: -1494.752181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.752181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.752181 (E_RNA)
where:
Base-Base interactions energy: -1019.616
where: short stacking energy: -455.434
Base-Backbone interact. energy: -0.370
local terms energy: -474.766353
where:
bonds (distance) C4'-P energy: -92.102
bonds (distance) P-C4' energy: -85.182
flat angles C4'-P-C4' energy: -115.880
flat angles P-C4'-P energy: -66.978
tors. eta vs tors. theta energy: -114.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1252.076135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.076135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.076135 (E_RNA)
where:
Base-Base interactions energy: -842.991
where: short stacking energy: -365.348
Base-Backbone interact. energy: -1.062
local terms energy: -408.022721
where:
bonds (distance) C4'-P energy: -76.617
bonds (distance) P-C4' energy: -90.692
flat angles C4'-P-C4' energy: -100.834
flat angles P-C4'-P energy: -65.928
tors. eta vs tors. theta energy: -73.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1243.772563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.772563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.772563 (E_RNA)
where:
Base-Base interactions energy: -835.094
where: short stacking energy: -376.636
Base-Backbone interact. energy: -1.604
local terms energy: -407.074742
where:
bonds (distance) C4'-P energy: -78.422
bonds (distance) P-C4' energy: -94.349
flat angles C4'-P-C4' energy: -97.249
flat angles P-C4'-P energy: -58.452
tors. eta vs tors. theta energy: -78.603
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: 189
Temperature: 1.300000
Total energy: -998.395437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.395437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.395437 (E_RNA)
where:
Base-Base interactions energy: -635.761
where: short stacking energy: -279.883
Base-Backbone interact. energy: -5.617
local terms energy: -357.018147
where:
bonds (distance) C4'-P energy: -78.529
bonds (distance) P-C4' energy: -97.370
flat angles C4'-P-C4' energy: -95.209
flat angles P-C4'-P energy: -46.429
tors. eta vs tors. theta energy: -39.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -557.561740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.561740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.561740 (E_RNA)
where:
Base-Base interactions energy: -283.527
where: short stacking energy: -168.186
Base-Backbone interact. energy: 2.306
local terms energy: -276.340827
where:
bonds (distance) C4'-P energy: -68.866
bonds (distance) P-C4' energy: -66.439
flat angles C4'-P-C4' energy: -86.270
flat angles P-C4'-P energy: -67.973
tors. eta vs tors. theta energy: 13.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1925.474056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.474056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.474056 (E_RNA)
where:
Base-Base interactions energy: -1330.545
where: short stacking energy: -579.891
Base-Backbone interact. energy: -3.307
local terms energy: -591.622687
where:
bonds (distance) C4'-P energy: -123.859
bonds (distance) P-C4' energy: -107.249
flat angles C4'-P-C4' energy: -114.147
flat angles P-C4'-P energy: -82.955
tors. eta vs tors. theta energy: -163.413
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: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1809.545035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.545035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.545035 (E_RNA)
where:
Base-Base interactions energy: -1248.615
where: short stacking energy: -544.231
Base-Backbone interact. energy: -2.792
local terms energy: -558.138115
where:
bonds (distance) C4'-P energy: -98.803
bonds (distance) P-C4' energy: -99.710
flat angles C4'-P-C4' energy: -116.610
flat angles P-C4'-P energy: -81.984
tors. eta vs tors. theta energy: -161.031
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: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1749.570357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.570357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.570357 (E_RNA)
where:
Base-Base interactions energy: -1178.807
where: short stacking energy: -486.884
Base-Backbone interact. energy: -2.321
local terms energy: -568.442860
where:
bonds (distance) C4'-P energy: -103.608
bonds (distance) P-C4' energy: -116.569
flat angles C4'-P-C4' energy: -123.328
flat angles P-C4'-P energy: -84.538
tors. eta vs tors. theta energy: -140.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1641.701889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.701889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.701889 (E_RNA)
where:
Base-Base interactions energy: -1136.411
where: short stacking energy: -461.394
Base-Backbone interact. energy: -0.447
local terms energy: -504.843390
where:
bonds (distance) C4'-P energy: -113.605
bonds (distance) P-C4' energy: -91.778
flat angles C4'-P-C4' energy: -99.364
flat angles P-C4'-P energy: -75.407
tors. eta vs tors. theta energy: -124.689
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: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1595.925640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.925640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.925640 (E_RNA)
where:
Base-Base interactions energy: -1114.213
where: short stacking energy: -439.714
Base-Backbone interact. energy: 0.347
local terms energy: -482.059746
where:
bonds (distance) C4'-P energy: -89.011
bonds (distance) P-C4' energy: -96.384
flat angles C4'-P-C4' energy: -104.003
flat angles P-C4'-P energy: -69.095
tors. eta vs tors. theta energy: -123.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1504.251061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.251061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.251061 (E_RNA)
where:
Base-Base interactions energy: -1014.036
where: short stacking energy: -419.315
Base-Backbone interact. energy: -1.348
local terms energy: -488.866669
where:
bonds (distance) C4'-P energy: -107.064
bonds (distance) P-C4' energy: -103.272
flat angles C4'-P-C4' energy: -111.024
flat angles P-C4'-P energy: -55.656
tors. eta vs tors. theta energy: -111.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1300.514393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.514393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.514393 (E_RNA)
where:
Base-Base interactions energy: -868.903
where: short stacking energy: -378.051
Base-Backbone interact. energy: -1.052
local terms energy: -430.559269
where:
bonds (distance) C4'-P energy: -82.766
bonds (distance) P-C4' energy: -89.159
flat angles C4'-P-C4' energy: -101.581
flat angles P-C4'-P energy: -63.283
tors. eta vs tors. theta energy: -93.771
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: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1219.696965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.696965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.696965 (E_RNA)
where:
Base-Base interactions energy: -791.180
where: short stacking energy: -343.437
Base-Backbone interact. energy: 2.406
local terms energy: -430.922517
where:
bonds (distance) C4'-P energy: -92.888
bonds (distance) P-C4' energy: -99.756
flat angles C4'-P-C4' energy: -98.900
flat angles P-C4'-P energy: -47.772
tors. eta vs tors. theta energy: -91.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -956.001916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.001916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.001916 (E_RNA)
where:
Base-Base interactions energy: -611.566
where: short stacking energy: -244.496
Base-Backbone interact. energy: 1.061
local terms energy: -345.496741
where:
bonds (distance) C4'-P energy: -85.626
bonds (distance) P-C4' energy: -90.887
flat angles C4'-P-C4' energy: -84.476
flat angles P-C4'-P energy: -49.030
tors. eta vs tors. theta energy: -35.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -519.307891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.307891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.307891 (E_RNA)
where:
Base-Base interactions energy: -243.060
where: short stacking energy: -129.640
Base-Backbone interact. energy: 1.550
local terms energy: -277.797368
where:
bonds (distance) C4'-P energy: -74.987
bonds (distance) P-C4' energy: -92.145
flat angles C4'-P-C4' energy: -78.375
flat angles P-C4'-P energy: -52.503
tors. eta vs tors. theta energy: 20.213
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: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1922.725107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.725107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.725107 (E_RNA)
where:
Base-Base interactions energy: -1323.597
where: short stacking energy: -589.917
Base-Backbone interact. energy: 0.584
local terms energy: -599.711504
where:
bonds (distance) C4'-P energy: -107.782
bonds (distance) P-C4' energy: -102.704
flat angles C4'-P-C4' energy: -115.069
flat angles P-C4'-P energy: -93.867
tors. eta vs tors. theta energy: -180.289
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: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1819.879128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.879128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.879128 (E_RNA)
where:
Base-Base interactions energy: -1249.883
where: short stacking energy: -542.786
Base-Backbone interact. energy: -2.354
local terms energy: -567.641942
where:
bonds (distance) C4'-P energy: -105.523
bonds (distance) P-C4' energy: -93.612
flat angles C4'-P-C4' energy: -128.217
flat angles P-C4'-P energy: -79.296
tors. eta vs tors. theta energy: -160.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1770.768717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.768717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.768717 (E_RNA)
where:
Base-Base interactions energy: -1225.795
where: short stacking energy: -523.534
Base-Backbone interact. energy: -2.320
local terms energy: -542.654060
where:
bonds (distance) C4'-P energy: -103.829
bonds (distance) P-C4' energy: -100.978
flat angles C4'-P-C4' energy: -114.159
flat angles P-C4'-P energy: -77.961
tors. eta vs tors. theta energy: -145.727
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: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1632.101653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.101653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.101653 (E_RNA)
where:
Base-Base interactions energy: -1131.504
where: short stacking energy: -464.819
Base-Backbone interact. energy: -1.577
local terms energy: -499.020670
where:
bonds (distance) C4'-P energy: -102.956
bonds (distance) P-C4' energy: -97.016
flat angles C4'-P-C4' energy: -102.173
flat angles P-C4'-P energy: -77.852
tors. eta vs tors. theta energy: -119.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1550.768977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.768977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.768977 (E_RNA)
where:
Base-Base interactions energy: -1063.386
where: short stacking energy: -440.989
Base-Backbone interact. energy: -1.518
local terms energy: -485.865884
where:
bonds (distance) C4'-P energy: -106.749
bonds (distance) P-C4' energy: -96.226
flat angles C4'-P-C4' energy: -112.375
flat angles P-C4'-P energy: -62.780
tors. eta vs tors. theta energy: -107.736
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: 191
Temperature: 1.150000
Total energy: -1489.263255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.263255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.263255 (E_RNA)
where:
Base-Base interactions energy: -1005.317
where: short stacking energy: -435.676
Base-Backbone interact. energy: -1.535
local terms energy: -482.411760
where:
bonds (distance) C4'-P energy: -85.610
bonds (distance) P-C4' energy: -99.608
flat angles C4'-P-C4' energy: -107.890
flat angles P-C4'-P energy: -71.760
tors. eta vs tors. theta energy: -117.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1268.722553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.722553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.722553 (E_RNA)
where:
Base-Base interactions energy: -840.965
where: short stacking energy: -354.265
Base-Backbone interact. energy: -3.191
local terms energy: -424.567066
where:
bonds (distance) C4'-P energy: -97.667
bonds (distance) P-C4' energy: -79.497
flat angles C4'-P-C4' energy: -96.930
flat angles P-C4'-P energy: -61.493
tors. eta vs tors. theta energy: -88.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1209.838754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.838754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.838754 (E_RNA)
where:
Base-Base interactions energy: -791.457
where: short stacking energy: -349.145
Base-Backbone interact. energy: -1.543
local terms energy: -416.838401
where:
bonds (distance) C4'-P energy: -86.726
bonds (distance) P-C4' energy: -103.401
flat angles C4'-P-C4' energy: -94.865
flat angles P-C4'-P energy: -57.937
tors. eta vs tors. theta energy: -73.910
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: 191
Temperature: 1.300000
Total energy: -889.281552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.281552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.281552 (E_RNA)
where:
Base-Base interactions energy: -538.303
where: short stacking energy: -255.509
Base-Backbone interact. energy: -1.497
local terms energy: -349.481388
where:
bonds (distance) C4'-P energy: -84.822
bonds (distance) P-C4' energy: -76.288
flat angles C4'-P-C4' energy: -97.854
flat angles P-C4'-P energy: -57.677
tors. eta vs tors. theta energy: -32.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -538.376089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.376089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.376089 (E_RNA)
where:
Base-Base interactions energy: -255.907
where: short stacking energy: -155.349
Base-Backbone interact. energy: -1.888
local terms energy: -280.581098
where:
bonds (distance) C4'-P energy: -92.767
bonds (distance) P-C4' energy: -91.301
flat angles C4'-P-C4' energy: -62.105
flat angles P-C4'-P energy: -41.131
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: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1918.994960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.994960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.994960 (E_RNA)
where:
Base-Base interactions energy: -1325.291
where: short stacking energy: -556.018
Base-Backbone interact. energy: 0.198
local terms energy: -593.902530
where:
bonds (distance) C4'-P energy: -114.688
bonds (distance) P-C4' energy: -104.819
flat angles C4'-P-C4' energy: -124.784
flat angles P-C4'-P energy: -80.298
tors. eta vs tors. theta energy: -169.312
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: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1831.587233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.587233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.587233 (E_RNA)
where:
Base-Base interactions energy: -1257.920
where: short stacking energy: -575.359
Base-Backbone interact. energy: -2.824
local terms energy: -570.842521
where:
bonds (distance) C4'-P energy: -88.037
bonds (distance) P-C4' energy: -103.559
flat angles C4'-P-C4' energy: -120.993
flat angles P-C4'-P energy: -94.577
tors. eta vs tors. theta energy: -163.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1741.315074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.315074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.315074 (E_RNA)
where:
Base-Base interactions energy: -1194.808
where: short stacking energy: -512.865
Base-Backbone interact. energy: -3.626
local terms energy: -542.881108
where:
bonds (distance) C4'-P energy: -106.673
bonds (distance) P-C4' energy: -96.798
flat angles C4'-P-C4' energy: -124.909
flat angles P-C4'-P energy: -75.515
tors. eta vs tors. theta energy: -138.985
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: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1646.823437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.823437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.823437 (E_RNA)
where:
Base-Base interactions energy: -1127.647
where: short stacking energy: -481.996
Base-Backbone interact. energy: -3.725
local terms energy: -515.451095
where:
bonds (distance) C4'-P energy: -83.991
bonds (distance) P-C4' energy: -104.158
flat angles C4'-P-C4' energy: -115.765
flat angles P-C4'-P energy: -80.024
tors. eta vs tors. theta energy: -131.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1547.272443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.272443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.272443 (E_RNA)
where:
Base-Base interactions energy: -1054.751
where: short stacking energy: -445.292
Base-Backbone interact. energy: -0.047
local terms energy: -492.474470
where:
bonds (distance) C4'-P energy: -101.168
bonds (distance) P-C4' energy: -100.412
flat angles C4'-P-C4' energy: -100.558
flat angles P-C4'-P energy: -69.058
tors. eta vs tors. theta energy: -121.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1540.812013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.812013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.812013 (E_RNA)
where:
Base-Base interactions energy: -1040.434
where: short stacking energy: -450.246
Base-Backbone interact. energy: -0.809
local terms energy: -499.569053
where:
bonds (distance) C4'-P energy: -98.646
bonds (distance) P-C4' energy: -104.084
flat angles C4'-P-C4' energy: -108.268
flat angles P-C4'-P energy: -72.772
tors. eta vs tors. theta energy: -115.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1284.812367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.812367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.812367 (E_RNA)
where:
Base-Base interactions energy: -838.640
where: short stacking energy: -386.412
Base-Backbone interact. energy: 1.124
local terms energy: -447.295865
where:
bonds (distance) C4'-P energy: -93.630
bonds (distance) P-C4' energy: -97.867
flat angles C4'-P-C4' energy: -93.225
flat angles P-C4'-P energy: -69.287
tors. eta vs tors. theta energy: -93.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1240.184800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.184800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.184800 (E_RNA)
where:
Base-Base interactions energy: -827.912
where: short stacking energy: -365.719
Base-Backbone interact. energy: -3.030
local terms energy: -409.243498
where:
bonds (distance) C4'-P energy: -73.488
bonds (distance) P-C4' energy: -87.775
flat angles C4'-P-C4' energy: -94.752
flat angles P-C4'-P energy: -59.292
tors. eta vs tors. theta energy: -93.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -930.629933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.629933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.629933 (E_RNA)
where:
Base-Base interactions energy: -576.793
where: short stacking energy: -275.686
Base-Backbone interact. energy: -3.016
local terms energy: -350.821072
where:
bonds (distance) C4'-P energy: -85.810
bonds (distance) P-C4' energy: -92.811
flat angles C4'-P-C4' energy: -86.399
flat angles P-C4'-P energy: -54.268
tors. eta vs tors. theta energy: -31.533
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: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -525.230290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.230290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.230290 (E_RNA)
where:
Base-Base interactions energy: -230.482
where: short stacking energy: -160.298
Base-Backbone interact. energy: 3.252
local terms energy: -298.000717
where:
bonds (distance) C4'-P energy: -91.981
bonds (distance) P-C4' energy: -83.444
flat angles C4'-P-C4' energy: -94.878
flat angles P-C4'-P energy: -37.491
tors. eta vs tors. theta energy: 9.793
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: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1932.673287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.673287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.673287 (E_RNA)
where:
Base-Base interactions energy: -1357.510
where: short stacking energy: -593.067
Base-Backbone interact. energy: -0.417
local terms energy: -574.745794
where:
bonds (distance) C4'-P energy: -103.846
bonds (distance) P-C4' energy: -89.770
flat angles C4'-P-C4' energy: -125.133
flat angles P-C4'-P energy: -80.982
tors. eta vs tors. theta energy: -175.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1852.119534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.119534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.119534 (E_RNA)
where:
Base-Base interactions energy: -1260.656
where: short stacking energy: -579.064
Base-Backbone interact. energy: -2.470
local terms energy: -588.994144
where:
bonds (distance) C4'-P energy: -105.486
bonds (distance) P-C4' energy: -99.155
flat angles C4'-P-C4' energy: -130.645
flat angles P-C4'-P energy: -81.594
tors. eta vs tors. theta energy: -172.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1720.737051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.737051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.737051 (E_RNA)
where:
Base-Base interactions energy: -1173.955
where: short stacking energy: -487.893
Base-Backbone interact. energy: -3.015
local terms energy: -543.767744
where:
bonds (distance) C4'-P energy: -95.539
bonds (distance) P-C4' energy: -102.449
flat angles C4'-P-C4' energy: -120.730
flat angles P-C4'-P energy: -79.065
tors. eta vs tors. theta energy: -145.985
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: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1656.141538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.141538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.141538 (E_RNA)
where:
Base-Base interactions energy: -1149.881
where: short stacking energy: -461.307
Base-Backbone interact. energy: -2.365
local terms energy: -503.895636
where:
bonds (distance) C4'-P energy: -91.079
bonds (distance) P-C4' energy: -90.996
flat angles C4'-P-C4' energy: -114.352
flat angles P-C4'-P energy: -77.129
tors. eta vs tors. theta energy: -130.340
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: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1584.747424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.747424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.747424 (E_RNA)
where:
Base-Base interactions energy: -1070.994
where: short stacking energy: -467.063
Base-Backbone interact. energy: -1.138
local terms energy: -512.615718
where:
bonds (distance) C4'-P energy: -86.092
bonds (distance) P-C4' energy: -97.328
flat angles C4'-P-C4' energy: -116.509
flat angles P-C4'-P energy: -80.618
tors. eta vs tors. theta energy: -132.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1531.825268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.825268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.825268 (E_RNA)
where:
Base-Base interactions energy: -1052.076
where: short stacking energy: -444.408
Base-Backbone interact. energy: -0.540
local terms energy: -479.208741
where:
bonds (distance) C4'-P energy: -85.362
bonds (distance) P-C4' energy: -102.917
flat angles C4'-P-C4' energy: -113.220
flat angles P-C4'-P energy: -63.420
tors. eta vs tors. theta energy: -114.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1312.731316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.731316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.731316 (E_RNA)
where:
Base-Base interactions energy: -876.278
where: short stacking energy: -374.352
Base-Backbone interact. energy: 0.322
local terms energy: -436.774891
where:
bonds (distance) C4'-P energy: -102.758
bonds (distance) P-C4' energy: -88.509
flat angles C4'-P-C4' energy: -88.995
flat angles P-C4'-P energy: -66.546
tors. eta vs tors. theta energy: -89.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1222.709820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.709820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.709820 (E_RNA)
where:
Base-Base interactions energy: -809.362
where: short stacking energy: -340.740
Base-Backbone interact. energy: -1.675
local terms energy: -411.673117
where:
bonds (distance) C4'-P energy: -87.359
bonds (distance) P-C4' energy: -83.694
flat angles C4'-P-C4' energy: -99.876
flat angles P-C4'-P energy: -66.445
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: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -868.162077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.162077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.162077 (E_RNA)
where:
Base-Base interactions energy: -524.842
where: short stacking energy: -254.406
Base-Backbone interact. energy: -0.629
local terms energy: -342.691490
where:
bonds (distance) C4'-P energy: -84.001
bonds (distance) P-C4' energy: -81.590
flat angles C4'-P-C4' energy: -80.986
flat angles P-C4'-P energy: -51.944
tors. eta vs tors. theta energy: -44.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -495.531215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.531215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.531215 (E_RNA)
where:
Base-Base interactions energy: -223.765
where: short stacking energy: -131.437
Base-Backbone interact. energy: -1.062
local terms energy: -270.704694
where:
bonds (distance) C4'-P energy: -79.215
bonds (distance) P-C4' energy: -92.809
flat angles C4'-P-C4' energy: -76.976
flat angles P-C4'-P energy: -42.270
tors. eta vs tors. theta energy: 20.566
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: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1936.115547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.115547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.115547 (E_RNA)
where:
Base-Base interactions energy: -1331.119
where: short stacking energy: -574.828
Base-Backbone interact. energy: -1.319
local terms energy: -603.677396
where:
bonds (distance) C4'-P energy: -100.933
bonds (distance) P-C4' energy: -119.772
flat angles C4'-P-C4' energy: -123.022
flat angles P-C4'-P energy: -86.928
tors. eta vs tors. theta energy: -173.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1866.650478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.650478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.650478 (E_RNA)
where:
Base-Base interactions energy: -1273.035
where: short stacking energy: -547.096
Base-Backbone interact. energy: -2.115
local terms energy: -591.500526
where:
bonds (distance) C4'-P energy: -114.535
bonds (distance) P-C4' energy: -100.926
flat angles C4'-P-C4' energy: -134.556
flat angles P-C4'-P energy: -75.375
tors. eta vs tors. theta energy: -166.109
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: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1712.640196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.640196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.640196 (E_RNA)
where:
Base-Base interactions energy: -1182.270
where: short stacking energy: -503.215
Base-Backbone interact. energy: -3.572
local terms energy: -526.798447
where:
bonds (distance) C4'-P energy: -100.068
bonds (distance) P-C4' energy: -105.538
flat angles C4'-P-C4' energy: -115.963
flat angles P-C4'-P energy: -73.505
tors. eta vs tors. theta energy: -131.726
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: 4, replica: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1645.136971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.136971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.136971 (E_RNA)
where:
Base-Base interactions energy: -1142.151
where: short stacking energy: -460.413
Base-Backbone interact. energy: -4.151
local terms energy: -498.835827
where:
bonds (distance) C4'-P energy: -94.093
bonds (distance) P-C4' energy: -103.384
flat angles C4'-P-C4' energy: -112.960
flat angles P-C4'-P energy: -67.595
tors. eta vs tors. theta energy: -120.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1585.588004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.588004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.588004 (E_RNA)
where:
Base-Base interactions energy: -1090.227
where: short stacking energy: -428.060
Base-Backbone interact. energy: -1.497
local terms energy: -493.863579
where:
bonds (distance) C4'-P energy: -97.591
bonds (distance) P-C4' energy: -102.510
flat angles C4'-P-C4' energy: -111.875
flat angles P-C4'-P energy: -69.790
tors. eta vs tors. theta energy: -112.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1570.865715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.865715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.865715 (E_RNA)
where:
Base-Base interactions energy: -1073.752
where: short stacking energy: -451.237
Base-Backbone interact. energy: -3.013
local terms energy: -494.101431
where:
bonds (distance) C4'-P energy: -89.687
bonds (distance) P-C4' energy: -105.768
flat angles C4'-P-C4' energy: -109.136
flat angles P-C4'-P energy: -57.664
tors. eta vs tors. theta energy: -131.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1325.333507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.333507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.333507 (E_RNA)
where:
Base-Base interactions energy: -887.091
where: short stacking energy: -384.725
Base-Backbone interact. energy: -1.229
local terms energy: -437.013341
where:
bonds (distance) C4'-P energy: -91.555
bonds (distance) P-C4' energy: -87.061
flat angles C4'-P-C4' energy: -104.491
flat angles P-C4'-P energy: -56.715
tors. eta vs tors. theta energy: -97.191
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: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1196.208641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.208641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.208641 (E_RNA)
where:
Base-Base interactions energy: -792.889
where: short stacking energy: -334.987
Base-Backbone interact. energy: 0.628
local terms energy: -403.948153
where:
bonds (distance) C4'-P energy: -90.121
bonds (distance) P-C4' energy: -88.752
flat angles C4'-P-C4' energy: -95.654
flat angles P-C4'-P energy: -51.196
tors. eta vs tors. theta energy: -78.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -892.413936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.413936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.413936 (E_RNA)
where:
Base-Base interactions energy: -535.708
where: short stacking energy: -239.995
Base-Backbone interact. energy: 0.531
local terms energy: -357.237018
where:
bonds (distance) C4'-P energy: -98.877
bonds (distance) P-C4' energy: -89.942
flat angles C4'-P-C4' energy: -87.311
flat angles P-C4'-P energy: -46.230
tors. eta vs tors. theta energy: -34.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -557.413151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.413151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.413151 (E_RNA)
where:
Base-Base interactions energy: -248.118
where: short stacking energy: -164.361
Base-Backbone interact. energy: 0.465
local terms energy: -309.760298
where:
bonds (distance) C4'-P energy: -84.164
bonds (distance) P-C4' energy: -112.837
flat angles C4'-P-C4' energy: -82.831
flat angles P-C4'-P energy: -49.867
tors. eta vs tors. theta energy: 19.938
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: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1914.804412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.804412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.804412 (E_RNA)
where:
Base-Base interactions energy: -1302.867
where: short stacking energy: -552.496
Base-Backbone interact. energy: -2.242
local terms energy: -609.694894
where:
bonds (distance) C4'-P energy: -119.401
bonds (distance) P-C4' energy: -113.244
flat angles C4'-P-C4' energy: -120.767
flat angles P-C4'-P energy: -85.317
tors. eta vs tors. theta energy: -170.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1858.841487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.841487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.841487 (E_RNA)
where:
Base-Base interactions energy: -1273.864
where: short stacking energy: -571.099
Base-Backbone interact. energy: -3.015
local terms energy: -581.962873
where:
bonds (distance) C4'-P energy: -104.765
bonds (distance) P-C4' energy: -110.334
flat angles C4'-P-C4' energy: -123.779
flat angles P-C4'-P energy: -80.251
tors. eta vs tors. theta energy: -162.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1720.245883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.245883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.245883 (E_RNA)
where:
Base-Base interactions energy: -1180.140
where: short stacking energy: -477.833
Base-Backbone interact. energy: -3.733
local terms energy: -536.373274
where:
bonds (distance) C4'-P energy: -94.703
bonds (distance) P-C4' energy: -118.446
flat angles C4'-P-C4' energy: -120.711
flat angles P-C4'-P energy: -68.394
tors. eta vs tors. theta energy: -134.119
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: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1632.987135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.987135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.987135 (E_RNA)
where:
Base-Base interactions energy: -1106.775
where: short stacking energy: -467.134
Base-Backbone interact. energy: -0.213
local terms energy: -525.999667
where:
bonds (distance) C4'-P energy: -87.126
bonds (distance) P-C4' energy: -116.692
flat angles C4'-P-C4' energy: -113.153
flat angles P-C4'-P energy: -89.472
tors. eta vs tors. theta energy: -119.557
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: 195
Temperature: 1.100000
Total energy: -1570.261495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.261495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.261495 (E_RNA)
where:
Base-Base interactions energy: -1063.901
where: short stacking energy: -454.215
Base-Backbone interact. energy: -0.249
local terms energy: -506.112093
where:
bonds (distance) C4'-P energy: -94.842
bonds (distance) P-C4' energy: -99.400
flat angles C4'-P-C4' energy: -116.177
flat angles P-C4'-P energy: -77.790
tors. eta vs tors. theta energy: -117.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1522.820465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.820465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.820465 (E_RNA)
where:
Base-Base interactions energy: -1055.364
where: short stacking energy: -450.522
Base-Backbone interact. energy: 0.246
local terms energy: -467.701749
where:
bonds (distance) C4'-P energy: -77.235
bonds (distance) P-C4' energy: -99.479
flat angles C4'-P-C4' energy: -108.226
flat angles P-C4'-P energy: -65.633
tors. eta vs tors. theta energy: -117.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1313.763617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.763617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.763617 (E_RNA)
where:
Base-Base interactions energy: -867.125
where: short stacking energy: -373.847
Base-Backbone interact. energy: -1.442
local terms energy: -445.195966
where:
bonds (distance) C4'-P energy: -92.877
bonds (distance) P-C4' energy: -99.149
flat angles C4'-P-C4' energy: -86.302
flat angles P-C4'-P energy: -73.749
tors. eta vs tors. theta energy: -93.119
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: 8, replica: 2
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1194.592794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.592794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.592794 (E_RNA)
where:
Base-Base interactions energy: -837.682
where: short stacking energy: -364.282
Base-Backbone interact. energy: 5.538
local terms energy: -362.448673
where:
bonds (distance) C4'-P energy: -90.628
bonds (distance) P-C4' energy: -80.925
flat angles C4'-P-C4' energy: -79.796
flat angles P-C4'-P energy: -32.952
tors. eta vs tors. theta energy: -78.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -918.742717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.742717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.742717 (E_RNA)
where:
Base-Base interactions energy: -576.437
where: short stacking energy: -256.470
Base-Backbone interact. energy: 0.829
local terms energy: -343.134323
where:
bonds (distance) C4'-P energy: -101.798
bonds (distance) P-C4' energy: -58.659
flat angles C4'-P-C4' energy: -89.825
flat angles P-C4'-P energy: -56.109
tors. eta vs tors. theta energy: -36.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -498.801819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.801819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.801819 (E_RNA)
where:
Base-Base interactions energy: -232.797
where: short stacking energy: -139.006
Base-Backbone interact. energy: -4.145
local terms energy: -261.860355
where:
bonds (distance) C4'-P energy: -86.239
bonds (distance) P-C4' energy: -89.123
flat angles C4'-P-C4' energy: -70.645
flat angles P-C4'-P energy: -38.900
tors. eta vs tors. theta energy: 23.047
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: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1948.894703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.894703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.894703 (E_RNA)
where:
Base-Base interactions energy: -1350.955
where: short stacking energy: -585.936
Base-Backbone interact. energy: -1.755
local terms energy: -596.184486
where:
bonds (distance) C4'-P energy: -106.980
bonds (distance) P-C4' energy: -105.738
flat angles C4'-P-C4' energy: -118.617
flat angles P-C4'-P energy: -84.128
tors. eta vs tors. theta energy: -180.721
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: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1838.124514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.124514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.124514 (E_RNA)
where:
Base-Base interactions energy: -1235.170
where: short stacking energy: -544.661
Base-Backbone interact. energy: -4.886
local terms energy: -598.069010
where:
bonds (distance) C4'-P energy: -104.541
bonds (distance) P-C4' energy: -106.938
flat angles C4'-P-C4' energy: -127.456
flat angles P-C4'-P energy: -89.200
tors. eta vs tors. theta energy: -169.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1724.384901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.384901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.384901 (E_RNA)
where:
Base-Base interactions energy: -1192.730
where: short stacking energy: -525.531
Base-Backbone interact. energy: -0.231
local terms energy: -531.423310
where:
bonds (distance) C4'-P energy: -82.663
bonds (distance) P-C4' energy: -114.939
flat angles C4'-P-C4' energy: -111.860
flat angles P-C4'-P energy: -81.471
tors. eta vs tors. theta energy: -140.491
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: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1641.523700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.523700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.523700 (E_RNA)
where:
Base-Base interactions energy: -1130.509
where: short stacking energy: -488.126
Base-Backbone interact. energy: -1.082
local terms energy: -509.933396
where:
bonds (distance) C4'-P energy: -101.367
bonds (distance) P-C4' energy: -100.934
flat angles C4'-P-C4' energy: -103.263
flat angles P-C4'-P energy: -72.763
tors. eta vs tors. theta energy: -131.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1581.810825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.810825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.810825 (E_RNA)
where:
Base-Base interactions energy: -1079.362
where: short stacking energy: -453.711
Base-Backbone interact. energy: -1.747
local terms energy: -500.702106
where:
bonds (distance) C4'-P energy: -94.788
bonds (distance) P-C4' energy: -92.457
flat angles C4'-P-C4' energy: -109.051
flat angles P-C4'-P energy: -61.390
tors. eta vs tors. theta energy: -143.017
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: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1546.206991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.206991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.206991 (E_RNA)
where:
Base-Base interactions energy: -1046.268
where: short stacking energy: -451.519
Base-Backbone interact. energy: -2.491
local terms energy: -497.447596
where:
bonds (distance) C4'-P energy: -97.486
bonds (distance) P-C4' energy: -103.022
flat angles C4'-P-C4' energy: -99.877
flat angles P-C4'-P energy: -79.457
tors. eta vs tors. theta energy: -117.606
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: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1321.875408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.875408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.875408 (E_RNA)
where:
Base-Base interactions energy: -881.556
where: short stacking energy: -396.835
Base-Backbone interact. energy: 2.475
local terms energy: -442.794121
where:
bonds (distance) C4'-P energy: -86.886
bonds (distance) P-C4' energy: -91.926
flat angles C4'-P-C4' energy: -98.966
flat angles P-C4'-P energy: -61.858
tors. eta vs tors. theta energy: -103.158
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: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1254.885074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.885074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.885074 (E_RNA)
where:
Base-Base interactions energy: -836.383
where: short stacking energy: -364.815
Base-Backbone interact. energy: 2.934
local terms energy: -421.436162
where:
bonds (distance) C4'-P energy: -78.984
bonds (distance) P-C4' energy: -83.302
flat angles C4'-P-C4' energy: -110.289
flat angles P-C4'-P energy: -61.674
tors. eta vs tors. theta energy: -87.187
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: 196
Temperature: 1.300000
Total energy: -977.243715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.243715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.243715 (E_RNA)
where:
Base-Base interactions energy: -622.027
where: short stacking energy: -286.513
Base-Backbone interact. energy: -0.574
local terms energy: -354.642944
where:
bonds (distance) C4'-P energy: -76.490
bonds (distance) P-C4' energy: -78.759
flat angles C4'-P-C4' energy: -85.855
flat angles P-C4'-P energy: -63.840
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: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -494.053945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.053945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.053945 (E_RNA)
where:
Base-Base interactions energy: -204.232
where: short stacking energy: -130.169
Base-Backbone interact. energy: 2.168
local terms energy: -291.989585
where:
bonds (distance) C4'-P energy: -83.117
bonds (distance) P-C4' energy: -101.139
flat angles C4'-P-C4' energy: -84.679
flat angles P-C4'-P energy: -40.664
tors. eta vs tors. theta energy: 17.611
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: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1930.550218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.550218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.550218 (E_RNA)
where:
Base-Base interactions energy: -1325.529
where: short stacking energy: -572.027
Base-Backbone interact. energy: -2.921
local terms energy: -602.100692
where:
bonds (distance) C4'-P energy: -102.713
bonds (distance) P-C4' energy: -110.270
flat angles C4'-P-C4' energy: -135.568
flat angles P-C4'-P energy: -77.190
tors. eta vs tors. theta energy: -176.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1822.403223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.403223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.403223 (E_RNA)
where:
Base-Base interactions energy: -1234.669
where: short stacking energy: -550.651
Base-Backbone interact. energy: -2.639
local terms energy: -585.095156
where:
bonds (distance) C4'-P energy: -99.983
bonds (distance) P-C4' energy: -115.809
flat angles C4'-P-C4' energy: -118.633
flat angles P-C4'-P energy: -84.849
tors. eta vs tors. theta energy: -165.821
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: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1710.354527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.354527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.354527 (E_RNA)
where:
Base-Base interactions energy: -1160.478
where: short stacking energy: -474.359
Base-Backbone interact. energy: -3.415
local terms energy: -546.461387
where:
bonds (distance) C4'-P energy: -109.845
bonds (distance) P-C4' energy: -106.279
flat angles C4'-P-C4' energy: -117.839
flat angles P-C4'-P energy: -83.294
tors. eta vs tors. theta energy: -129.205
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: 197
Temperature: 1.050000
Total energy: -1657.928125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.928125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.928125 (E_RNA)
where:
Base-Base interactions energy: -1140.445
where: short stacking energy: -491.027
Base-Backbone interact. energy: -2.234
local terms energy: -515.249655
where:
bonds (distance) C4'-P energy: -105.695
bonds (distance) P-C4' energy: -84.826
flat angles C4'-P-C4' energy: -112.673
flat angles P-C4'-P energy: -70.675
tors. eta vs tors. theta energy: -141.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1583.981413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.981413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.981413 (E_RNA)
where:
Base-Base interactions energy: -1100.635
where: short stacking energy: -473.131
Base-Backbone interact. energy: -3.715
local terms energy: -479.630719
where:
bonds (distance) C4'-P energy: -94.709
bonds (distance) P-C4' energy: -98.389
flat angles C4'-P-C4' energy: -96.648
flat angles P-C4'-P energy: -63.272
tors. eta vs tors. theta energy: -126.612
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: 6, replica: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1537.107982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.107982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.107982 (E_RNA)
where:
Base-Base interactions energy: -1043.204
where: short stacking energy: -426.064
Base-Backbone interact. energy: -3.631
local terms energy: -490.273321
where:
bonds (distance) C4'-P energy: -98.366
bonds (distance) P-C4' energy: -100.974
flat angles C4'-P-C4' energy: -108.689
flat angles P-C4'-P energy: -65.843
tors. eta vs tors. theta energy: -116.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1251.332599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.332599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.332599 (E_RNA)
where:
Base-Base interactions energy: -819.973
where: short stacking energy: -345.961
Base-Backbone interact. energy: -2.398
local terms energy: -428.961803
where:
bonds (distance) C4'-P energy: -85.510
bonds (distance) P-C4' energy: -103.509
flat angles C4'-P-C4' energy: -89.862
flat angles P-C4'-P energy: -69.839
tors. eta vs tors. theta energy: -80.242
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: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1298.994335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.994335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.994335 (E_RNA)
where:
Base-Base interactions energy: -862.949
where: short stacking energy: -353.629
Base-Backbone interact. energy: -0.937
local terms energy: -435.108943
where:
bonds (distance) C4'-P energy: -101.705
bonds (distance) P-C4' energy: -95.576
flat angles C4'-P-C4' energy: -114.221
flat angles P-C4'-P energy: -50.862
tors. eta vs tors. theta energy: -72.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -968.024891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.024891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.024891 (E_RNA)
where:
Base-Base interactions energy: -591.668
where: short stacking energy: -271.581
Base-Backbone interact. energy: 0.505
local terms energy: -376.861517
where:
bonds (distance) C4'-P energy: -92.067
bonds (distance) P-C4' energy: -87.638
flat angles C4'-P-C4' energy: -89.951
flat angles P-C4'-P energy: -46.010
tors. eta vs tors. theta energy: -61.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -512.430613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.430613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.430613 (E_RNA)
where:
Base-Base interactions energy: -243.197
where: short stacking energy: -165.004
Base-Backbone interact. energy: 4.118
local terms energy: -273.351752
where:
bonds (distance) C4'-P energy: -77.357
bonds (distance) P-C4' energy: -82.194
flat angles C4'-P-C4' energy: -72.456
flat angles P-C4'-P energy: -47.001
tors. eta vs tors. theta energy: 5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1917.421205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.421205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.421205 (E_RNA)
where:
Base-Base interactions energy: -1319.512
where: short stacking energy: -573.870
Base-Backbone interact. energy: -1.233
local terms energy: -596.676112
where:
bonds (distance) C4'-P energy: -116.726
bonds (distance) P-C4' energy: -106.633
flat angles C4'-P-C4' energy: -122.318
flat angles P-C4'-P energy: -84.834
tors. eta vs tors. theta energy: -166.166
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: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1821.673387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.673387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.673387 (E_RNA)
where:
Base-Base interactions energy: -1244.903
where: short stacking energy: -544.199
Base-Backbone interact. energy: -3.815
local terms energy: -572.955231
where:
bonds (distance) C4'-P energy: -105.203
bonds (distance) P-C4' energy: -105.043
flat angles C4'-P-C4' energy: -120.390
flat angles P-C4'-P energy: -76.147
tors. eta vs tors. theta energy: -166.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1738.656244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.656244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.656244 (E_RNA)
where:
Base-Base interactions energy: -1191.857
where: short stacking energy: -503.934
Base-Backbone interact. energy: -2.889
local terms energy: -543.910411
where:
bonds (distance) C4'-P energy: -107.075
bonds (distance) P-C4' energy: -115.574
flat angles C4'-P-C4' energy: -108.175
flat angles P-C4'-P energy: -79.448
tors. eta vs tors. theta energy: -133.639
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: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1616.837629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.837629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.837629 (E_RNA)
where:
Base-Base interactions energy: -1077.910
where: short stacking energy: -449.440
Base-Backbone interact. energy: 2.707
local terms energy: -541.634990
where:
bonds (distance) C4'-P energy: -101.783
bonds (distance) P-C4' energy: -114.343
flat angles C4'-P-C4' energy: -123.047
flat angles P-C4'-P energy: -72.771
tors. eta vs tors. theta energy: -129.692
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: 198
Temperature: 1.100000
Total energy: -1566.383595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.383595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.383595 (E_RNA)
where:
Base-Base interactions energy: -1070.883
where: short stacking energy: -438.011
Base-Backbone interact. energy: -0.973
local terms energy: -494.527572
where:
bonds (distance) C4'-P energy: -108.889
bonds (distance) P-C4' energy: -105.870
flat angles C4'-P-C4' energy: -98.392
flat angles P-C4'-P energy: -62.755
tors. eta vs tors. theta energy: -118.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1548.941971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.941971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.941971 (E_RNA)
where:
Base-Base interactions energy: -1074.358
where: short stacking energy: -441.131
Base-Backbone interact. energy: -2.186
local terms energy: -472.398287
where:
bonds (distance) C4'-P energy: -92.175
bonds (distance) P-C4' energy: -91.374
flat angles C4'-P-C4' energy: -113.434
flat angles P-C4'-P energy: -54.388
tors. eta vs tors. theta energy: -121.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1311.015548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.015548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.015548 (E_RNA)
where:
Base-Base interactions energy: -878.113
where: short stacking energy: -376.470
Base-Backbone interact. energy: -1.131
local terms energy: -431.771677
where:
bonds (distance) C4'-P energy: -76.692
bonds (distance) P-C4' energy: -93.371
flat angles C4'-P-C4' energy: -111.517
flat angles P-C4'-P energy: -54.905
tors. eta vs tors. theta energy: -95.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1185.834567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.834567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.834567 (E_RNA)
where:
Base-Base interactions energy: -789.087
where: short stacking energy: -334.729
Base-Backbone interact. energy: -0.994
local terms energy: -395.753198
where:
bonds (distance) C4'-P energy: -67.601
bonds (distance) P-C4' energy: -99.096
flat angles C4'-P-C4' energy: -88.470
flat angles P-C4'-P energy: -65.179
tors. eta vs tors. theta energy: -75.406
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: 198
Temperature: 1.300000
Total energy: -914.522183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.522183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.522183 (E_RNA)
where:
Base-Base interactions energy: -551.898
where: short stacking energy: -263.032
Base-Backbone interact. energy: -2.646
local terms energy: -359.977911
where:
bonds (distance) C4'-P energy: -81.160
bonds (distance) P-C4' energy: -91.653
flat angles C4'-P-C4' energy: -85.433
flat angles P-C4'-P energy: -69.755
tors. eta vs tors. theta energy: -31.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -507.572911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.572911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.572911 (E_RNA)
where:
Base-Base interactions energy: -216.124
where: short stacking energy: -139.388
Base-Backbone interact. energy: -1.457
local terms energy: -289.992025
where:
bonds (distance) C4'-P energy: -89.997
bonds (distance) P-C4' energy: -93.149
flat angles C4'-P-C4' energy: -77.940
flat angles P-C4'-P energy: -43.536
tors. eta vs tors. theta energy: 14.630
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: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1915.380543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.380543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.380543 (E_RNA)
where:
Base-Base interactions energy: -1325.548
where: short stacking energy: -562.813
Base-Backbone interact. energy: -1.800
local terms energy: -588.033040
where:
bonds (distance) C4'-P energy: -91.838
bonds (distance) P-C4' energy: -125.062
flat angles C4'-P-C4' energy: -123.587
flat angles P-C4'-P energy: -79.595
tors. eta vs tors. theta energy: -167.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1865.890825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.890825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.890825 (E_RNA)
where:
Base-Base interactions energy: -1278.482
where: short stacking energy: -563.491
Base-Backbone interact. energy: -2.436
local terms energy: -584.972355
where:
bonds (distance) C4'-P energy: -104.851
bonds (distance) P-C4' energy: -103.871
flat angles C4'-P-C4' energy: -122.089
flat angles P-C4'-P energy: -82.662
tors. eta vs tors. theta energy: -171.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1712.779047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.779047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.779047 (E_RNA)
where:
Base-Base interactions energy: -1174.505
where: short stacking energy: -505.076
Base-Backbone interact. energy: -0.962
local terms energy: -537.311532
where:
bonds (distance) C4'-P energy: -104.954
bonds (distance) P-C4' energy: -101.921
flat angles C4'-P-C4' energy: -111.015
flat angles P-C4'-P energy: -83.604
tors. eta vs tors. theta energy: -135.817
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: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1651.035472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.035472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.035472 (E_RNA)
where:
Base-Base interactions energy: -1157.143
where: short stacking energy: -490.580
Base-Backbone interact. energy: 1.916
local terms energy: -495.808873
where:
bonds (distance) C4'-P energy: -92.467
bonds (distance) P-C4' energy: -90.256
flat angles C4'-P-C4' energy: -113.322
flat angles P-C4'-P energy: -69.691
tors. eta vs tors. theta energy: -130.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1560.858674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.858674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.858674 (E_RNA)
where:
Base-Base interactions energy: -1064.316
where: short stacking energy: -455.896
Base-Backbone interact. energy: 0.414
local terms energy: -496.956987
where:
bonds (distance) C4'-P energy: -88.313
bonds (distance) P-C4' energy: -102.875
flat angles C4'-P-C4' energy: -105.168
flat angles P-C4'-P energy: -70.844
tors. eta vs tors. theta energy: -129.756
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: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1596.752516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.752516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.752516 (E_RNA)
where:
Base-Base interactions energy: -1099.877
where: short stacking energy: -449.932
Base-Backbone interact. energy: -3.841
local terms energy: -493.034250
where:
bonds (distance) C4'-P energy: -92.789
bonds (distance) P-C4' energy: -93.433
flat angles C4'-P-C4' energy: -115.892
flat angles P-C4'-P energy: -67.607
tors. eta vs tors. theta energy: -123.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1316.769315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.769315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.769315 (E_RNA)
where:
Base-Base interactions energy: -840.633
where: short stacking energy: -372.118
Base-Backbone interact. energy: -1.374
local terms energy: -474.762162
where:
bonds (distance) C4'-P energy: -102.182
bonds (distance) P-C4' energy: -106.773
flat angles C4'-P-C4' energy: -93.122
flat angles P-C4'-P energy: -75.568
tors. eta vs tors. theta energy: -97.116
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: 2
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1184.070134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.070134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.070134 (E_RNA)
where:
Base-Base interactions energy: -795.246
where: short stacking energy: -346.046
Base-Backbone interact. energy: -0.743
local terms energy: -388.080557
where:
bonds (distance) C4'-P energy: -89.760
bonds (distance) P-C4' energy: -103.578
flat angles C4'-P-C4' energy: -83.440
flat angles P-C4'-P energy: -46.359
tors. eta vs tors. theta energy: -64.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -952.787097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.787097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.787097 (E_RNA)
where:
Base-Base interactions energy: -571.468
where: short stacking energy: -287.614
Base-Backbone interact. energy: -3.690
local terms energy: -377.629147
where:
bonds (distance) C4'-P energy: -88.044
bonds (distance) P-C4' energy: -102.673
flat angles C4'-P-C4' energy: -73.605
flat angles P-C4'-P energy: -61.299
tors. eta vs tors. theta energy: -52.008
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: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -536.143404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.143404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.143404 (E_RNA)
where:
Base-Base interactions energy: -269.592
where: short stacking energy: -156.086
Base-Backbone interact. energy: 2.846
local terms energy: -269.397589
where:
bonds (distance) C4'-P energy: -71.613
bonds (distance) P-C4' energy: -90.033
flat angles C4'-P-C4' energy: -68.849
flat angles P-C4'-P energy: -45.100
tors. eta vs tors. theta energy: 6.197
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: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1932.631211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.631211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.631211 (E_RNA)
where:
Base-Base interactions energy: -1326.547
where: short stacking energy: -588.352
Base-Backbone interact. energy: -1.748
local terms energy: -604.335491
where:
bonds (distance) C4'-P energy: -106.823
bonds (distance) P-C4' energy: -114.267
flat angles C4'-P-C4' energy: -127.449
flat angles P-C4'-P energy: -77.703
tors. eta vs tors. theta energy: -178.094
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: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1852.417272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.417272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.417272 (E_RNA)
where:
Base-Base interactions energy: -1280.432
where: short stacking energy: -548.740
Base-Backbone interact. energy: 2.055
local terms energy: -574.040996
where:
bonds (distance) C4'-P energy: -110.426
bonds (distance) P-C4' energy: -117.133
flat angles C4'-P-C4' energy: -116.883
flat angles P-C4'-P energy: -71.009
tors. eta vs tors. theta energy: -158.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1741.413163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.413163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.413163 (E_RNA)
where:
Base-Base interactions energy: -1190.750
where: short stacking energy: -515.572
Base-Backbone interact. energy: -2.033
local terms energy: -548.629787
where:
bonds (distance) C4'-P energy: -95.462
bonds (distance) P-C4' energy: -105.787
flat angles C4'-P-C4' energy: -117.858
flat angles P-C4'-P energy: -82.108
tors. eta vs tors. theta energy: -147.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1703.781538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.781538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.781538 (E_RNA)
where:
Base-Base interactions energy: -1167.391
where: short stacking energy: -478.136
Base-Backbone interact. energy: -1.021
local terms energy: -535.369983
where:
bonds (distance) C4'-P energy: -103.460
bonds (distance) P-C4' energy: -99.816
flat angles C4'-P-C4' energy: -115.761
flat angles P-C4'-P energy: -75.520
tors. eta vs tors. theta energy: -140.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1609.605392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.605392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.605392 (E_RNA)
where:
Base-Base interactions energy: -1128.433
where: short stacking energy: -462.350
Base-Backbone interact. energy: -3.366
local terms energy: -477.806356
where:
bonds (distance) C4'-P energy: -84.413
bonds (distance) P-C4' energy: -93.961
flat angles C4'-P-C4' energy: -97.113
flat angles P-C4'-P energy: -77.096
tors. eta vs tors. theta energy: -125.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1554.124990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.124990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.124990 (E_RNA)
where:
Base-Base interactions energy: -1056.292
where: short stacking energy: -442.885
Base-Backbone interact. energy: -2.117
local terms energy: -495.715280
where:
bonds (distance) C4'-P energy: -92.124
bonds (distance) P-C4' energy: -97.554
flat angles C4'-P-C4' energy: -105.953
flat angles P-C4'-P energy: -76.044
tors. eta vs tors. theta energy: -124.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1307.787091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.787091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.787091 (E_RNA)
where:
Base-Base interactions energy: -841.102
where: short stacking energy: -386.886
Base-Backbone interact. energy: -1.850
local terms energy: -464.834431
where:
bonds (distance) C4'-P energy: -89.926
bonds (distance) P-C4' energy: -110.164
flat angles C4'-P-C4' energy: -98.245
flat angles P-C4'-P energy: -63.424
tors. eta vs tors. theta energy: -103.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1246.597286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.597286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.597286 (E_RNA)
where:
Base-Base interactions energy: -847.554
where: short stacking energy: -358.098
Base-Backbone interact. energy: 2.643
local terms energy: -401.686085
where:
bonds (distance) C4'-P energy: -95.738
bonds (distance) P-C4' energy: -89.781
flat angles C4'-P-C4' energy: -82.721
flat angles P-C4'-P energy: -58.246
tors. eta vs tors. theta energy: -75.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1004.400658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.400658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.400658 (E_RNA)
where:
Base-Base interactions energy: -629.132
where: short stacking energy: -288.311
Base-Backbone interact. energy: -3.121
local terms energy: -372.147937
where:
bonds (distance) C4'-P energy: -100.204
bonds (distance) P-C4' energy: -82.946
flat angles C4'-P-C4' energy: -92.871
flat angles P-C4'-P energy: -43.378
tors. eta vs tors. theta energy: -52.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -528.844573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.844573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.844573 (E_RNA)
where:
Base-Base interactions energy: -250.575
where: short stacking energy: -159.955
Base-Backbone interact. energy: 0.828
local terms energy: -279.098035
where:
bonds (distance) C4'-P energy: -80.934
bonds (distance) P-C4' energy: -91.777
flat angles C4'-P-C4' energy: -62.968
flat angles P-C4'-P energy: -50.195
tors. eta vs tors. theta energy: 6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1943.483148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.483148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.483148 (E_RNA)
where:
Base-Base interactions energy: -1354.710
where: short stacking energy: -598.659
Base-Backbone interact. energy: -4.544
local terms energy: -584.229184
where:
bonds (distance) C4'-P energy: -95.859
bonds (distance) P-C4' energy: -107.751
flat angles C4'-P-C4' energy: -124.722
flat angles P-C4'-P energy: -83.492
tors. eta vs tors. theta energy: -172.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1860.493700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.493700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.493700 (E_RNA)
where:
Base-Base interactions energy: -1251.066
where: short stacking energy: -533.689
Base-Backbone interact. energy: -3.519
local terms energy: -605.907916
where:
bonds (distance) C4'-P energy: -118.413
bonds (distance) P-C4' energy: -111.952
flat angles C4'-P-C4' energy: -127.982
flat angles P-C4'-P energy: -82.728
tors. eta vs tors. theta energy: -164.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1746.366320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.366320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.366320 (E_RNA)
where:
Base-Base interactions energy: -1200.373
where: short stacking energy: -516.609
Base-Backbone interact. energy: 0.411
local terms energy: -546.404794
where:
bonds (distance) C4'-P energy: -100.022
bonds (distance) P-C4' energy: -106.965
flat angles C4'-P-C4' energy: -117.785
flat angles P-C4'-P energy: -83.114
tors. eta vs tors. theta energy: -138.518
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: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1670.091121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.091121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.091121 (E_RNA)
where:
Base-Base interactions energy: -1163.464
where: short stacking energy: -490.199
Base-Backbone interact. energy: -2.221
local terms energy: -504.406058
where:
bonds (distance) C4'-P energy: -82.410
bonds (distance) P-C4' energy: -106.995
flat angles C4'-P-C4' energy: -110.731
flat angles P-C4'-P energy: -75.201
tors. eta vs tors. theta energy: -129.069
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: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1605.254786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.254786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.254786 (E_RNA)
where:
Base-Base interactions energy: -1102.823
where: short stacking energy: -458.767
Base-Backbone interact. energy: -3.545
local terms energy: -498.886520
where:
bonds (distance) C4'-P energy: -94.098
bonds (distance) P-C4' energy: -106.286
flat angles C4'-P-C4' energy: -110.229
flat angles P-C4'-P energy: -67.876
tors. eta vs tors. theta energy: -120.397
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: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1582.372940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.372940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.372940 (E_RNA)
where:
Base-Base interactions energy: -1065.803
where: short stacking energy: -446.112
Base-Backbone interact. energy: -0.883
local terms energy: -515.686556
where:
bonds (distance) C4'-P energy: -102.971
bonds (distance) P-C4' energy: -100.947
flat angles C4'-P-C4' energy: -116.140
flat angles P-C4'-P energy: -69.971
tors. eta vs tors. theta energy: -125.657
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: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1333.048246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.048246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.048246 (E_RNA)
where:
Base-Base interactions energy: -904.671
where: short stacking energy: -369.616
Base-Backbone interact. energy: 2.543
local terms energy: -430.920540
where:
bonds (distance) C4'-P energy: -81.389
bonds (distance) P-C4' energy: -82.463
flat angles C4'-P-C4' energy: -100.824
flat angles P-C4'-P energy: -64.795
tors. eta vs tors. theta energy: -101.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1233.384631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.384631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.384631 (E_RNA)
where:
Base-Base interactions energy: -822.950
where: short stacking energy: -340.906
Base-Backbone interact. energy: 3.718
local terms energy: -414.153091
where:
bonds (distance) C4'-P energy: -78.729
bonds (distance) P-C4' energy: -98.310
flat angles C4'-P-C4' energy: -103.466
flat angles P-C4'-P energy: -44.302
tors. eta vs tors. theta energy: -89.346
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: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -984.852571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.852571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.852571 (E_RNA)
where:
Base-Base interactions energy: -607.943
where: short stacking energy: -283.203
Base-Backbone interact. energy: -2.634
local terms energy: -374.275135
where:
bonds (distance) C4'-P energy: -86.600
bonds (distance) P-C4' energy: -89.991
flat angles C4'-P-C4' energy: -86.299
flat angles P-C4'-P energy: -59.573
tors. eta vs tors. theta energy: -51.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -549.742773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.742773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.742773 (E_RNA)
where:
Base-Base interactions energy: -269.376
where: short stacking energy: -179.791
Base-Backbone interact. energy: 2.893
local terms energy: -283.259313
where:
bonds (distance) C4'-P energy: -76.872
bonds (distance) P-C4' energy: -67.978
flat angles C4'-P-C4' energy: -80.944
flat angles P-C4'-P energy: -41.924
tors. eta vs tors. theta energy: -15.541
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: 202
Temperature: 0.900000
Total energy: -1929.807948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.807948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.807948 (E_RNA)
where:
Base-Base interactions energy: -1339.322
where: short stacking energy: -579.678
Base-Backbone interact. energy: -3.767
local terms energy: -586.718688
where:
bonds (distance) C4'-P energy: -106.866
bonds (distance) P-C4' energy: -114.019
flat angles C4'-P-C4' energy: -123.242
flat angles P-C4'-P energy: -73.466
tors. eta vs tors. theta energy: -169.126
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: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1833.942636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.942636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.942636 (E_RNA)
where:
Base-Base interactions energy: -1255.348
where: short stacking energy: -520.247
Base-Backbone interact. energy: -2.571
local terms energy: -576.023162
where:
bonds (distance) C4'-P energy: -115.470
bonds (distance) P-C4' energy: -109.740
flat angles C4'-P-C4' energy: -112.490
flat angles P-C4'-P energy: -73.324
tors. eta vs tors. theta energy: -164.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1724.044422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.044422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.044422 (E_RNA)
where:
Base-Base interactions energy: -1187.726
where: short stacking energy: -498.404
Base-Backbone interact. energy: -2.473
local terms energy: -533.845950
where:
bonds (distance) C4'-P energy: -100.516
bonds (distance) P-C4' energy: -106.294
flat angles C4'-P-C4' energy: -117.378
flat angles P-C4'-P energy: -82.444
tors. eta vs tors. theta energy: -127.214
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: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1666.781181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.781181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.781181 (E_RNA)
where:
Base-Base interactions energy: -1147.772
where: short stacking energy: -492.926
Base-Backbone interact. energy: -2.891
local terms energy: -516.118130
where:
bonds (distance) C4'-P energy: -97.071
bonds (distance) P-C4' energy: -97.396
flat angles C4'-P-C4' energy: -106.010
flat angles P-C4'-P energy: -71.270
tors. eta vs tors. theta energy: -144.372
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: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1605.044850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.044850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.044850 (E_RNA)
where:
Base-Base interactions energy: -1102.819
where: short stacking energy: -444.170
Base-Backbone interact. energy: -1.816
local terms energy: -500.410369
where:
bonds (distance) C4'-P energy: -95.437
bonds (distance) P-C4' energy: -95.829
flat angles C4'-P-C4' energy: -107.291
flat angles P-C4'-P energy: -70.181
tors. eta vs tors. theta energy: -131.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1546.480133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.480133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.480133 (E_RNA)
where:
Base-Base interactions energy: -1070.509
where: short stacking energy: -452.835
Base-Backbone interact. energy: 4.641
local terms energy: -480.611360
where:
bonds (distance) C4'-P energy: -79.826
bonds (distance) P-C4' energy: -99.037
flat angles C4'-P-C4' energy: -99.546
flat angles P-C4'-P energy: -70.114
tors. eta vs tors. theta energy: -132.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1309.075048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.075048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.075048 (E_RNA)
where:
Base-Base interactions energy: -851.311
where: short stacking energy: -375.475
Base-Backbone interact. energy: -2.718
local terms energy: -455.046335
where:
bonds (distance) C4'-P energy: -76.084
bonds (distance) P-C4' energy: -94.281
flat angles C4'-P-C4' energy: -115.576
flat angles P-C4'-P energy: -70.528
tors. eta vs tors. theta energy: -98.577
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: 2
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1198.591733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.591733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.591733 (E_RNA)
where:
Base-Base interactions energy: -786.958
where: short stacking energy: -358.382
Base-Backbone interact. energy: 8.897
local terms energy: -420.530402
where:
bonds (distance) C4'-P energy: -88.025
bonds (distance) P-C4' energy: -103.494
flat angles C4'-P-C4' energy: -100.802
flat angles P-C4'-P energy: -56.564
tors. eta vs tors. theta energy: -71.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -968.867435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.867435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.867435 (E_RNA)
where:
Base-Base interactions energy: -619.901
where: short stacking energy: -283.668
Base-Backbone interact. energy: 2.296
local terms energy: -351.261961
where:
bonds (distance) C4'-P energy: -84.919
bonds (distance) P-C4' energy: -92.395
flat angles C4'-P-C4' energy: -88.866
flat angles P-C4'-P energy: -37.638
tors. eta vs tors. theta energy: -47.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -571.843276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.843276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.843276 (E_RNA)
where:
Base-Base interactions energy: -269.097
where: short stacking energy: -181.568
Base-Backbone interact. energy: 0.409
local terms energy: -303.156165
where:
bonds (distance) C4'-P energy: -79.669
bonds (distance) P-C4' energy: -81.978
flat angles C4'-P-C4' energy: -67.215
flat angles P-C4'-P energy: -64.464
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1965.724321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.724321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.724321 (E_RNA)
where:
Base-Base interactions energy: -1345.017
where: short stacking energy: -584.653
Base-Backbone interact. energy: -1.868
local terms energy: -618.838904
where:
bonds (distance) C4'-P energy: -120.895
bonds (distance) P-C4' energy: -118.625
flat angles C4'-P-C4' energy: -128.351
flat angles P-C4'-P energy: -78.077
tors. eta vs tors. theta energy: -172.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1821.535922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.535922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.535922 (E_RNA)
where:
Base-Base interactions energy: -1253.897
where: short stacking energy: -541.107
Base-Backbone interact. energy: -4.083
local terms energy: -563.555605
where:
bonds (distance) C4'-P energy: -106.655
bonds (distance) P-C4' energy: -104.596
flat angles C4'-P-C4' energy: -112.246
flat angles P-C4'-P energy: -78.802
tors. eta vs tors. theta energy: -161.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1700.899720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.899720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.899720 (E_RNA)
where:
Base-Base interactions energy: -1153.043
where: short stacking energy: -484.396
Base-Backbone interact. energy: -0.634
local terms energy: -547.222202
where:
bonds (distance) C4'-P energy: -95.984
bonds (distance) P-C4' energy: -113.309
flat angles C4'-P-C4' energy: -114.989
flat angles P-C4'-P energy: -79.934
tors. eta vs tors. theta energy: -143.007
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: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1666.238170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.238170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.238170 (E_RNA)
where:
Base-Base interactions energy: -1137.321
where: short stacking energy: -488.852
Base-Backbone interact. energy: -1.777
local terms energy: -527.139579
where:
bonds (distance) C4'-P energy: -101.522
bonds (distance) P-C4' energy: -97.810
flat angles C4'-P-C4' energy: -123.232
flat angles P-C4'-P energy: -75.591
tors. eta vs tors. theta energy: -128.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1617.550785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.550785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.550785 (E_RNA)
where:
Base-Base interactions energy: -1120.726
where: short stacking energy: -444.720
Base-Backbone interact. energy: -1.490
local terms energy: -495.334446
where:
bonds (distance) C4'-P energy: -91.392
bonds (distance) P-C4' energy: -96.212
flat angles C4'-P-C4' energy: -112.140
flat angles P-C4'-P energy: -73.410
tors. eta vs tors. theta energy: -122.180
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: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1570.170566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.170566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.170566 (E_RNA)
where:
Base-Base interactions energy: -1056.113
where: short stacking energy: -455.217
Base-Backbone interact. energy: -0.537
local terms energy: -513.520481
where:
bonds (distance) C4'-P energy: -77.039
bonds (distance) P-C4' energy: -115.273
flat angles C4'-P-C4' energy: -113.564
flat angles P-C4'-P energy: -76.506
tors. eta vs tors. theta energy: -131.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1367.681605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.681605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.681605 (E_RNA)
where:
Base-Base interactions energy: -925.546
where: short stacking energy: -390.275
Base-Backbone interact. energy: -1.109
local terms energy: -441.027073
where:
bonds (distance) C4'-P energy: -97.201
bonds (distance) P-C4' energy: -86.187
flat angles C4'-P-C4' energy: -104.076
flat angles P-C4'-P energy: -48.235
tors. eta vs tors. theta energy: -105.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1216.358757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.358757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.358757 (E_RNA)
where:
Base-Base interactions energy: -808.835
where: short stacking energy: -349.435
Base-Backbone interact. energy: 4.340
local terms energy: -411.864131
where:
bonds (distance) C4'-P energy: -97.389
bonds (distance) P-C4' energy: -87.079
flat angles C4'-P-C4' energy: -92.118
flat angles P-C4'-P energy: -49.167
tors. eta vs tors. theta energy: -86.112
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: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -940.837101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.837101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.837101 (E_RNA)
where:
Base-Base interactions energy: -608.617
where: short stacking energy: -247.523
Base-Backbone interact. energy: 2.143
local terms energy: -334.363343
where:
bonds (distance) C4'-P energy: -84.175
bonds (distance) P-C4' energy: -89.312
flat angles C4'-P-C4' energy: -92.328
flat angles P-C4'-P energy: -36.462
tors. eta vs tors. theta energy: -32.086
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: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -613.818221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.818221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.818221 (E_RNA)
where:
Base-Base interactions energy: -284.347
where: short stacking energy: -163.953
Base-Backbone interact. energy: -1.707
local terms energy: -327.764325
where:
bonds (distance) C4'-P energy: -101.220
bonds (distance) P-C4' energy: -98.962
flat angles C4'-P-C4' energy: -94.463
flat angles P-C4'-P energy: -44.901
tors. eta vs tors. theta energy: 11.781
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: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1936.359405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.359405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.359405 (E_RNA)
where:
Base-Base interactions energy: -1321.412
where: short stacking energy: -573.766
Base-Backbone interact. energy: -1.852
local terms energy: -613.094482
where:
bonds (distance) C4'-P energy: -115.403
bonds (distance) P-C4' energy: -109.740
flat angles C4'-P-C4' energy: -121.165
flat angles P-C4'-P energy: -84.642
tors. eta vs tors. theta energy: -182.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1834.765931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.765931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.765931 (E_RNA)
where:
Base-Base interactions energy: -1247.565
where: short stacking energy: -561.494
Base-Backbone interact. energy: -0.203
local terms energy: -586.997661
where:
bonds (distance) C4'-P energy: -108.792
bonds (distance) P-C4' energy: -105.767
flat angles C4'-P-C4' energy: -118.240
flat angles P-C4'-P energy: -90.483
tors. eta vs tors. theta energy: -163.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1686.745090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.745090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.745090 (E_RNA)
where:
Base-Base interactions energy: -1160.828
where: short stacking energy: -470.111
Base-Backbone interact. energy: -2.027
local terms energy: -523.890233
where:
bonds (distance) C4'-P energy: -100.334
bonds (distance) P-C4' energy: -100.766
flat angles C4'-P-C4' energy: -109.973
flat angles P-C4'-P energy: -73.208
tors. eta vs tors. theta energy: -139.610
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: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1691.366447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.366447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.366447 (E_RNA)
where:
Base-Base interactions energy: -1151.823
where: short stacking energy: -486.476
Base-Backbone interact. energy: 1.689
local terms energy: -541.231935
where:
bonds (distance) C4'-P energy: -86.836
bonds (distance) P-C4' energy: -103.464
flat angles C4'-P-C4' energy: -124.047
flat angles P-C4'-P energy: -80.544
tors. eta vs tors. theta energy: -146.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1583.810200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.810200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.810200 (E_RNA)
where:
Base-Base interactions energy: -1082.089
where: short stacking energy: -475.091
Base-Backbone interact. energy: -0.604
local terms energy: -501.117422
where:
bonds (distance) C4'-P energy: -85.768
bonds (distance) P-C4' energy: -106.041
flat angles C4'-P-C4' energy: -104.323
flat angles P-C4'-P energy: -64.969
tors. eta vs tors. theta energy: -140.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1577.565664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.565664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.565664 (E_RNA)
where:
Base-Base interactions energy: -1078.526
where: short stacking energy: -442.449
Base-Backbone interact. energy: -1.160
local terms energy: -497.880480
where:
bonds (distance) C4'-P energy: -109.413
bonds (distance) P-C4' energy: -96.776
flat angles C4'-P-C4' energy: -105.328
flat angles P-C4'-P energy: -63.291
tors. eta vs tors. theta energy: -123.073
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: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1355.225503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.225503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.225503 (E_RNA)
where:
Base-Base interactions energy: -907.713
where: short stacking energy: -377.761
Base-Backbone interact. energy: -3.179
local terms energy: -444.333226
where:
bonds (distance) C4'-P energy: -80.112
bonds (distance) P-C4' energy: -108.174
flat angles C4'-P-C4' energy: -97.130
flat angles P-C4'-P energy: -66.084
tors. eta vs tors. theta energy: -92.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1202.702980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.702980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.702980 (E_RNA)
where:
Base-Base interactions energy: -789.618
where: short stacking energy: -339.586
Base-Backbone interact. energy: -0.485
local terms energy: -412.599841
where:
bonds (distance) C4'-P energy: -94.288
bonds (distance) P-C4' energy: -86.894
flat angles C4'-P-C4' energy: -100.494
flat angles P-C4'-P energy: -73.997
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: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -903.597619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.597619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.597619 (E_RNA)
where:
Base-Base interactions energy: -553.388
where: short stacking energy: -270.914
Base-Backbone interact. energy: 1.217
local terms energy: -351.426645
where:
bonds (distance) C4'-P energy: -89.672
bonds (distance) P-C4' energy: -88.601
flat angles C4'-P-C4' energy: -94.347
flat angles P-C4'-P energy: -45.272
tors. eta vs tors. theta energy: -33.536
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: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -555.235657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.235657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.235657 (E_RNA)
where:
Base-Base interactions energy: -271.203
where: short stacking energy: -170.117
Base-Backbone interact. energy: -0.569
local terms energy: -283.463572
where:
bonds (distance) C4'-P energy: -87.710
bonds (distance) P-C4' energy: -82.809
flat angles C4'-P-C4' energy: -63.776
flat angles P-C4'-P energy: -62.641
tors. eta vs tors. theta energy: 13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1942.708215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.708215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.708215 (E_RNA)
where:
Base-Base interactions energy: -1314.673
where: short stacking energy: -566.370
Base-Backbone interact. energy: -1.738
local terms energy: -626.297120
where:
bonds (distance) C4'-P energy: -117.701
bonds (distance) P-C4' energy: -116.558
flat angles C4'-P-C4' energy: -127.990
flat angles P-C4'-P energy: -89.157
tors. eta vs tors. theta energy: -174.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1843.266157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.266157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.266157 (E_RNA)
where:
Base-Base interactions energy: -1262.514
where: short stacking energy: -534.680
Base-Backbone interact. energy: -2.640
local terms energy: -578.112127
where:
bonds (distance) C4'-P energy: -108.235
bonds (distance) P-C4' energy: -99.563
flat angles C4'-P-C4' energy: -126.478
flat angles P-C4'-P energy: -84.293
tors. eta vs tors. theta energy: -159.544
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: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1688.906393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.906393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.906393 (E_RNA)
where:
Base-Base interactions energy: -1147.164
where: short stacking energy: -483.467
Base-Backbone interact. energy: -2.579
local terms energy: -539.164234
where:
bonds (distance) C4'-P energy: -89.808
bonds (distance) P-C4' energy: -113.915
flat angles C4'-P-C4' energy: -113.197
flat angles P-C4'-P energy: -85.106
tors. eta vs tors. theta energy: -137.138
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: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1695.998313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.998313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.998313 (E_RNA)
where:
Base-Base interactions energy: -1139.442
where: short stacking energy: -487.121
Base-Backbone interact. energy: -0.647
local terms energy: -555.909400
where:
bonds (distance) C4'-P energy: -104.625
bonds (distance) P-C4' energy: -113.016
flat angles C4'-P-C4' energy: -115.309
flat angles P-C4'-P energy: -76.734
tors. eta vs tors. theta energy: -146.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1638.311770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.311770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.311770 (E_RNA)
where:
Base-Base interactions energy: -1108.175
where: short stacking energy: -466.664
Base-Backbone interact. energy: -1.563
local terms energy: -528.573598
where:
bonds (distance) C4'-P energy: -100.692
bonds (distance) P-C4' energy: -100.492
flat angles C4'-P-C4' energy: -112.599
flat angles P-C4'-P energy: -87.014
tors. eta vs tors. theta energy: -127.778
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: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1540.273703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.273703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.273703 (E_RNA)
where:
Base-Base interactions energy: -1054.634
where: short stacking energy: -432.819
Base-Backbone interact. energy: -2.052
local terms energy: -483.587766
where:
bonds (distance) C4'-P energy: -85.768
bonds (distance) P-C4' energy: -87.963
flat angles C4'-P-C4' energy: -107.317
flat angles P-C4'-P energy: -80.682
tors. eta vs tors. theta energy: -121.859
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: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1364.018884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.018884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.018884 (E_RNA)
where:
Base-Base interactions energy: -885.833
where: short stacking energy: -375.705
Base-Backbone interact. energy: 0.335
local terms energy: -478.521377
where:
bonds (distance) C4'-P energy: -104.418
bonds (distance) P-C4' energy: -107.830
flat angles C4'-P-C4' energy: -108.731
flat angles P-C4'-P energy: -58.678
tors. eta vs tors. theta energy: -98.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1264.424914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.424914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.424914 (E_RNA)
where:
Base-Base interactions energy: -855.342
where: short stacking energy: -368.932
Base-Backbone interact. energy: 2.082
local terms energy: -411.165439
where:
bonds (distance) C4'-P energy: -78.988
bonds (distance) P-C4' energy: -114.388
flat angles C4'-P-C4' energy: -81.127
flat angles P-C4'-P energy: -49.025
tors. eta vs tors. theta energy: -87.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -905.371244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.371244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.371244 (E_RNA)
where:
Base-Base interactions energy: -578.380
where: short stacking energy: -253.852
Base-Backbone interact. energy: -2.830
local terms energy: -324.161541
where:
bonds (distance) C4'-P energy: -69.627
bonds (distance) P-C4' energy: -83.068
flat angles C4'-P-C4' energy: -69.858
flat angles P-C4'-P energy: -54.404
tors. eta vs tors. theta energy: -47.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -642.046024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.046024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.046024 (E_RNA)
where:
Base-Base interactions energy: -337.418
where: short stacking energy: -180.294
Base-Backbone interact. energy: -3.224
local terms energy: -301.403663
where:
bonds (distance) C4'-P energy: -90.314
bonds (distance) P-C4' energy: -96.758
flat angles C4'-P-C4' energy: -67.887
flat angles P-C4'-P energy: -43.660
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1939.539927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.539927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.539927 (E_RNA)
where:
Base-Base interactions energy: -1308.806
where: short stacking energy: -565.301
Base-Backbone interact. energy: -2.037
local terms energy: -628.697541
where:
bonds (distance) C4'-P energy: -115.405
bonds (distance) P-C4' energy: -113.700
flat angles C4'-P-C4' energy: -127.469
flat angles P-C4'-P energy: -99.049
tors. eta vs tors. theta energy: -173.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1840.225312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.225312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.225312 (E_RNA)
where:
Base-Base interactions energy: -1244.090
where: short stacking energy: -557.265
Base-Backbone interact. energy: -5.453
local terms energy: -590.682018
where:
bonds (distance) C4'-P energy: -99.575
bonds (distance) P-C4' energy: -119.359
flat angles C4'-P-C4' energy: -125.852
flat angles P-C4'-P energy: -82.046
tors. eta vs tors. theta energy: -163.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1705.446634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.446634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.446634 (E_RNA)
where:
Base-Base interactions energy: -1180.891
where: short stacking energy: -513.693
Base-Backbone interact. energy: 2.463
local terms energy: -527.017810
where:
bonds (distance) C4'-P energy: -103.342
bonds (distance) P-C4' energy: -104.558
flat angles C4'-P-C4' energy: -109.242
flat angles P-C4'-P energy: -75.111
tors. eta vs tors. theta energy: -134.766
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: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1658.858016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.858016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.858016 (E_RNA)
where:
Base-Base interactions energy: -1115.791
where: short stacking energy: -476.778
Base-Backbone interact. energy: -5.822
local terms energy: -537.245150
where:
bonds (distance) C4'-P energy: -99.928
bonds (distance) P-C4' energy: -99.882
flat angles C4'-P-C4' energy: -125.276
flat angles P-C4'-P energy: -81.797
tors. eta vs tors. theta energy: -130.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1582.356551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.356551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.356551 (E_RNA)
where:
Base-Base interactions energy: -1105.403
where: short stacking energy: -464.181
Base-Backbone interact. energy: -2.249
local terms energy: -474.704295
where:
bonds (distance) C4'-P energy: -76.636
bonds (distance) P-C4' energy: -95.154
flat angles C4'-P-C4' energy: -113.219
flat angles P-C4'-P energy: -71.328
tors. eta vs tors. theta energy: -118.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1622.971370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.971370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.971370 (E_RNA)
where:
Base-Base interactions energy: -1121.957
where: short stacking energy: -474.296
Base-Backbone interact. energy: 7.359
local terms energy: -508.373782
where:
bonds (distance) C4'-P energy: -82.538
bonds (distance) P-C4' energy: -97.480
flat angles C4'-P-C4' energy: -116.922
flat angles P-C4'-P energy: -82.415
tors. eta vs tors. theta energy: -129.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1383.741138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.741138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.741138 (E_RNA)
where:
Base-Base interactions energy: -931.804
where: short stacking energy: -401.313
Base-Backbone interact. energy: -1.159
local terms energy: -450.778567
where:
bonds (distance) C4'-P energy: -90.559
bonds (distance) P-C4' energy: -94.590
flat angles C4'-P-C4' energy: -89.198
flat angles P-C4'-P energy: -66.752
tors. eta vs tors. theta energy: -109.680
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: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1225.235215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.235215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.235215 (E_RNA)
where:
Base-Base interactions energy: -816.656
where: short stacking energy: -346.520
Base-Backbone interact. energy: -1.748
local terms energy: -406.831480
where:
bonds (distance) C4'-P energy: -94.860
bonds (distance) P-C4' energy: -85.189
flat angles C4'-P-C4' energy: -95.611
flat angles P-C4'-P energy: -55.833
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: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -878.716929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.716929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.716929 (E_RNA)
where:
Base-Base interactions energy: -545.821
where: short stacking energy: -254.421
Base-Backbone interact. energy: 1.902
local terms energy: -334.798554
where:
bonds (distance) C4'-P energy: -67.650
bonds (distance) P-C4' energy: -80.959
flat angles C4'-P-C4' energy: -97.018
flat angles P-C4'-P energy: -58.074
tors. eta vs tors. theta energy: -31.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -557.310968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.310968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.310968 (E_RNA)
where:
Base-Base interactions energy: -274.826
where: short stacking energy: -134.826
Base-Backbone interact. energy: -0.940
local terms energy: -281.545217
where:
bonds (distance) C4'-P energy: -98.955
bonds (distance) P-C4' energy: -90.370
flat angles C4'-P-C4' energy: -61.423
flat angles P-C4'-P energy: -52.878
tors. eta vs tors. theta energy: 22.081
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: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1923.912218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.912218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.912218 (E_RNA)
where:
Base-Base interactions energy: -1330.370
where: short stacking energy: -577.475
Base-Backbone interact. energy: 1.342
local terms energy: -594.883751
where:
bonds (distance) C4'-P energy: -105.795
bonds (distance) P-C4' energy: -105.507
flat angles C4'-P-C4' energy: -122.357
flat angles P-C4'-P energy: -84.972
tors. eta vs tors. theta energy: -176.253
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: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1837.406422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.406422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.406422 (E_RNA)
where:
Base-Base interactions energy: -1253.117
where: short stacking energy: -534.088
Base-Backbone interact. energy: -2.385
local terms energy: -581.904741
where:
bonds (distance) C4'-P energy: -100.270
bonds (distance) P-C4' energy: -110.271
flat angles C4'-P-C4' energy: -128.673
flat angles P-C4'-P energy: -84.716
tors. eta vs tors. theta energy: -157.974
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: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1715.140802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.140802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.140802 (E_RNA)
where:
Base-Base interactions energy: -1160.387
where: short stacking energy: -498.149
Base-Backbone interact. energy: -0.775
local terms energy: -553.979068
where:
bonds (distance) C4'-P energy: -96.450
bonds (distance) P-C4' energy: -113.262
flat angles C4'-P-C4' energy: -120.864
flat angles P-C4'-P energy: -74.585
tors. eta vs tors. theta energy: -148.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1680.752760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.752760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.752760 (E_RNA)
where:
Base-Base interactions energy: -1139.087
where: short stacking energy: -487.056
Base-Backbone interact. energy: -0.412
local terms energy: -541.253741
where:
bonds (distance) C4'-P energy: -110.575
bonds (distance) P-C4' energy: -104.052
flat angles C4'-P-C4' energy: -118.338
flat angles P-C4'-P energy: -66.092
tors. eta vs tors. theta energy: -142.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1640.196568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.196568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.196568 (E_RNA)
where:
Base-Base interactions energy: -1125.636
where: short stacking energy: -479.524
Base-Backbone interact. energy: 0.415
local terms energy: -514.976250
where:
bonds (distance) C4'-P energy: -75.416
bonds (distance) P-C4' energy: -105.712
flat angles C4'-P-C4' energy: -121.782
flat angles P-C4'-P energy: -69.201
tors. eta vs tors. theta energy: -142.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1608.973340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.973340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.973340 (E_RNA)
where:
Base-Base interactions energy: -1127.495
where: short stacking energy: -481.291
Base-Backbone interact. energy: 2.577
local terms energy: -484.055995
where:
bonds (distance) C4'-P energy: -87.979
bonds (distance) P-C4' energy: -99.767
flat angles C4'-P-C4' energy: -107.362
flat angles P-C4'-P energy: -59.940
tors. eta vs tors. theta energy: -129.007
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: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1354.170518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.170518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.170518 (E_RNA)
where:
Base-Base interactions energy: -899.173
where: short stacking energy: -397.250
Base-Backbone interact. energy: -0.902
local terms energy: -454.096117
where:
bonds (distance) C4'-P energy: -81.456
bonds (distance) P-C4' energy: -93.388
flat angles C4'-P-C4' energy: -101.769
flat angles P-C4'-P energy: -67.470
tors. eta vs tors. theta energy: -110.012
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: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1273.529447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.529447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.529447 (E_RNA)
where:
Base-Base interactions energy: -854.755
where: short stacking energy: -383.817
Base-Backbone interact. energy: -2.257
local terms energy: -416.516830
where:
bonds (distance) C4'-P energy: -91.087
bonds (distance) P-C4' energy: -102.082
flat angles C4'-P-C4' energy: -91.848
flat angles P-C4'-P energy: -47.429
tors. eta vs tors. theta energy: -84.071
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: 207
Temperature: 1.300000
Total energy: -883.940632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.940632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.940632 (E_RNA)
where:
Base-Base interactions energy: -543.846
where: short stacking energy: -268.683
Base-Backbone interact. energy: 1.551
local terms energy: -341.645705
where:
bonds (distance) C4'-P energy: -86.628
bonds (distance) P-C4' energy: -92.028
flat angles C4'-P-C4' energy: -84.704
flat angles P-C4'-P energy: -42.396
tors. eta vs tors. theta energy: -35.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -570.177400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.177400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.177400 (E_RNA)
where:
Base-Base interactions energy: -288.634
where: short stacking energy: -184.873
Base-Backbone interact. energy: 3.107
local terms energy: -284.650638
where:
bonds (distance) C4'-P energy: -85.683
bonds (distance) P-C4' energy: -80.745
flat angles C4'-P-C4' energy: -70.034
flat angles P-C4'-P energy: -61.290
tors. eta vs tors. theta energy: 13.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1938.392730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.392730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.392730 (E_RNA)
where:
Base-Base interactions energy: -1332.265
where: short stacking energy: -565.744
Base-Backbone interact. energy: 0.799
local terms energy: -606.926619
where:
bonds (distance) C4'-P energy: -112.705
bonds (distance) P-C4' energy: -114.255
flat angles C4'-P-C4' energy: -119.421
flat angles P-C4'-P energy: -91.191
tors. eta vs tors. theta energy: -169.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1840.372033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.372033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.372033 (E_RNA)
where:
Base-Base interactions energy: -1286.771
where: short stacking energy: -553.162
Base-Backbone interact. energy: -0.935
local terms energy: -552.666054
where:
bonds (distance) C4'-P energy: -95.414
bonds (distance) P-C4' energy: -109.701
flat angles C4'-P-C4' energy: -119.515
flat angles P-C4'-P energy: -68.181
tors. eta vs tors. theta energy: -159.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1715.715767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.715767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.715767 (E_RNA)
where:
Base-Base interactions energy: -1170.342
where: short stacking energy: -491.722
Base-Backbone interact. energy: 0.006
local terms energy: -545.380257
where:
bonds (distance) C4'-P energy: -105.735
bonds (distance) P-C4' energy: -102.314
flat angles C4'-P-C4' energy: -111.125
flat angles P-C4'-P energy: -80.007
tors. eta vs tors. theta energy: -146.199
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: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1661.217159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.217159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.217159 (E_RNA)
where:
Base-Base interactions energy: -1117.309
where: short stacking energy: -495.220
Base-Backbone interact. energy: -2.665
local terms energy: -541.242880
where:
bonds (distance) C4'-P energy: -99.864
bonds (distance) P-C4' energy: -100.611
flat angles C4'-P-C4' energy: -113.905
flat angles P-C4'-P energy: -82.819
tors. eta vs tors. theta energy: -144.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1574.270098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.270098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.270098 (E_RNA)
where:
Base-Base interactions energy: -1085.872
where: short stacking energy: -463.540
Base-Backbone interact. energy: 0.166
local terms energy: -488.563669
where:
bonds (distance) C4'-P energy: -95.927
bonds (distance) P-C4' energy: -95.511
flat angles C4'-P-C4' energy: -102.427
flat angles P-C4'-P energy: -59.114
tors. eta vs tors. theta energy: -135.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1562.001178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.001178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.001178 (E_RNA)
where:
Base-Base interactions energy: -1085.473
where: short stacking energy: -441.032
Base-Backbone interact. energy: 2.152
local terms energy: -478.680341
where:
bonds (distance) C4'-P energy: -83.553
bonds (distance) P-C4' energy: -104.753
flat angles C4'-P-C4' energy: -112.692
flat angles P-C4'-P energy: -52.068
tors. eta vs tors. theta energy: -125.614
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: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1402.582768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.582768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.582768 (E_RNA)
where:
Base-Base interactions energy: -934.744
where: short stacking energy: -415.686
Base-Backbone interact. energy: -2.490
local terms energy: -465.348829
where:
bonds (distance) C4'-P energy: -90.823
bonds (distance) P-C4' energy: -84.225
flat angles C4'-P-C4' energy: -102.841
flat angles P-C4'-P energy: -79.186
tors. eta vs tors. theta energy: -108.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1271.551621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.551621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.551621 (E_RNA)
where:
Base-Base interactions energy: -830.930
where: short stacking energy: -366.364
Base-Backbone interact. energy: -1.097
local terms energy: -439.524414
where:
bonds (distance) C4'-P energy: -95.880
bonds (distance) P-C4' energy: -85.937
flat angles C4'-P-C4' energy: -102.660
flat angles P-C4'-P energy: -60.349
tors. eta vs tors. theta energy: -94.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1007.702095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.702095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.702095 (E_RNA)
where:
Base-Base interactions energy: -628.375
where: short stacking energy: -270.239
Base-Backbone interact. energy: 0.655
local terms energy: -379.982366
where:
bonds (distance) C4'-P energy: -91.451
bonds (distance) P-C4' energy: -106.057
flat angles C4'-P-C4' energy: -69.718
flat angles P-C4'-P energy: -63.282
tors. eta vs tors. theta energy: -49.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -593.101058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.101058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.101058 (E_RNA)
where:
Base-Base interactions energy: -300.622
where: short stacking energy: -156.732
Base-Backbone interact. energy: -5.753
local terms energy: -286.726631
where:
bonds (distance) C4'-P energy: -93.302
bonds (distance) P-C4' energy: -87.399
flat angles C4'-P-C4' energy: -72.929
flat angles P-C4'-P energy: -37.692
tors. eta vs tors. theta energy: 4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1907.378939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.378939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.378939 (E_RNA)
where:
Base-Base interactions energy: -1294.999
where: short stacking energy: -589.967
Base-Backbone interact. energy: -2.841
local terms energy: -609.538830
where:
bonds (distance) C4'-P energy: -113.833
bonds (distance) P-C4' energy: -115.740
flat angles C4'-P-C4' energy: -118.119
flat angles P-C4'-P energy: -89.780
tors. eta vs tors. theta energy: -172.067
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: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1850.050640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.050640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.050640 (E_RNA)
where:
Base-Base interactions energy: -1267.683
where: short stacking energy: -565.032
Base-Backbone interact. energy: -2.081
local terms energy: -580.287113
where:
bonds (distance) C4'-P energy: -104.714
bonds (distance) P-C4' energy: -103.702
flat angles C4'-P-C4' energy: -119.163
flat angles P-C4'-P energy: -83.239
tors. eta vs tors. theta energy: -169.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1751.544832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.544832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.544832 (E_RNA)
where:
Base-Base interactions energy: -1189.778
where: short stacking energy: -526.406
Base-Backbone interact. energy: -1.505
local terms energy: -560.262063
where:
bonds (distance) C4'-P energy: -102.482
bonds (distance) P-C4' energy: -95.359
flat angles C4'-P-C4' energy: -107.397
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -165.997
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: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1633.892487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.892487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.892487 (E_RNA)
where:
Base-Base interactions energy: -1095.385
where: short stacking energy: -464.645
Base-Backbone interact. energy: -3.695
local terms energy: -534.812591
where:
bonds (distance) C4'-P energy: -106.306
bonds (distance) P-C4' energy: -98.858
flat angles C4'-P-C4' energy: -119.662
flat angles P-C4'-P energy: -71.680
tors. eta vs tors. theta energy: -138.307
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: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1558.532493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.532493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.532493 (E_RNA)
where:
Base-Base interactions energy: -1078.963
where: short stacking energy: -434.944
Base-Backbone interact. energy: -1.205
local terms energy: -478.364667
where:
bonds (distance) C4'-P energy: -102.858
bonds (distance) P-C4' energy: -87.562
flat angles C4'-P-C4' energy: -107.016
flat angles P-C4'-P energy: -58.970
tors. eta vs tors. theta energy: -121.959
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: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1587.439879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.439879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.439879 (E_RNA)
where:
Base-Base interactions energy: -1111.723
where: short stacking energy: -472.049
Base-Backbone interact. energy: -3.035
local terms energy: -472.681849
where:
bonds (distance) C4'-P energy: -88.604
bonds (distance) P-C4' energy: -82.759
flat angles C4'-P-C4' energy: -105.757
flat angles P-C4'-P energy: -69.955
tors. eta vs tors. theta energy: -125.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1383.424556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.424556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.424556 (E_RNA)
where:
Base-Base interactions energy: -950.504
where: short stacking energy: -420.292
Base-Backbone interact. energy: -0.496
local terms energy: -432.424633
where:
bonds (distance) C4'-P energy: -85.445
bonds (distance) P-C4' energy: -94.417
flat angles C4'-P-C4' energy: -79.565
flat angles P-C4'-P energy: -62.829
tors. eta vs tors. theta energy: -110.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1254.519317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.519317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.519317 (E_RNA)
where:
Base-Base interactions energy: -835.232
where: short stacking energy: -334.418
Base-Backbone interact. energy: 2.202
local terms energy: -421.489000
where:
bonds (distance) C4'-P energy: -78.320
bonds (distance) P-C4' energy: -92.889
flat angles C4'-P-C4' energy: -111.093
flat angles P-C4'-P energy: -66.638
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: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -990.050633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.050633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.050633 (E_RNA)
where:
Base-Base interactions energy: -601.276
where: short stacking energy: -278.272
Base-Backbone interact. energy: -1.069
local terms energy: -387.706048
where:
bonds (distance) C4'-P energy: -89.767
bonds (distance) P-C4' energy: -93.705
flat angles C4'-P-C4' energy: -91.343
flat angles P-C4'-P energy: -57.801
tors. eta vs tors. theta energy: -55.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -584.023679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.023679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.023679 (E_RNA)
where:
Base-Base interactions energy: -286.266
where: short stacking energy: -162.232
Base-Backbone interact. energy: -0.758
local terms energy: -297.000367
where:
bonds (distance) C4'-P energy: -79.434
bonds (distance) P-C4' energy: -97.767
flat angles C4'-P-C4' energy: -77.043
flat angles P-C4'-P energy: -55.040
tors. eta vs tors. theta energy: 12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1907.109376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.109376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.109376 (E_RNA)
where:
Base-Base interactions energy: -1310.722
where: short stacking energy: -553.622
Base-Backbone interact. energy: -0.851
local terms energy: -595.536360
where:
bonds (distance) C4'-P energy: -103.605
bonds (distance) P-C4' energy: -112.234
flat angles C4'-P-C4' energy: -121.473
flat angles P-C4'-P energy: -92.340
tors. eta vs tors. theta energy: -165.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1844.016076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.016076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.016076 (E_RNA)
where:
Base-Base interactions energy: -1284.334
where: short stacking energy: -555.291
Base-Backbone interact. energy: 0.659
local terms energy: -560.341337
where:
bonds (distance) C4'-P energy: -99.495
bonds (distance) P-C4' energy: -94.302
flat angles C4'-P-C4' energy: -118.332
flat angles P-C4'-P energy: -78.603
tors. eta vs tors. theta energy: -169.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1694.542896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.542896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.542896 (E_RNA)
where:
Base-Base interactions energy: -1171.482
where: short stacking energy: -511.407
Base-Backbone interact. energy: -2.549
local terms energy: -520.511557
where:
bonds (distance) C4'-P energy: -99.424
bonds (distance) P-C4' energy: -85.145
flat angles C4'-P-C4' energy: -112.216
flat angles P-C4'-P energy: -81.910
tors. eta vs tors. theta energy: -141.817
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: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1647.519512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.519512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.519512 (E_RNA)
where:
Base-Base interactions energy: -1110.765
where: short stacking energy: -473.446
Base-Backbone interact. energy: -0.874
local terms energy: -535.880679
where:
bonds (distance) C4'-P energy: -100.002
bonds (distance) P-C4' energy: -102.268
flat angles C4'-P-C4' energy: -116.021
flat angles P-C4'-P energy: -82.840
tors. eta vs tors. theta energy: -134.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1618.020952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.020952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.020952 (E_RNA)
where:
Base-Base interactions energy: -1135.580
where: short stacking energy: -446.836
Base-Backbone interact. energy: -3.596
local terms energy: -478.844833
where:
bonds (distance) C4'-P energy: -108.793
bonds (distance) P-C4' energy: -101.863
flat angles C4'-P-C4' energy: -93.793
flat angles P-C4'-P energy: -61.228
tors. eta vs tors. theta energy: -113.168
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: 210
Temperature: 1.150000
Total energy: -1533.434396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.434396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.434396 (E_RNA)
where:
Base-Base interactions energy: -1026.074
where: short stacking energy: -433.202
Base-Backbone interact. energy: -2.294
local terms energy: -505.065818
where:
bonds (distance) C4'-P energy: -102.823
bonds (distance) P-C4' energy: -108.867
flat angles C4'-P-C4' energy: -104.353
flat angles P-C4'-P energy: -75.097
tors. eta vs tors. theta energy: -113.926
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: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1392.203297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.203297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.203297 (E_RNA)
where:
Base-Base interactions energy: -913.932
where: short stacking energy: -417.696
Base-Backbone interact. energy: 3.341
local terms energy: -481.612271
where:
bonds (distance) C4'-P energy: -103.330
bonds (distance) P-C4' energy: -105.183
flat angles C4'-P-C4' energy: -100.831
flat angles P-C4'-P energy: -55.758
tors. eta vs tors. theta energy: -116.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1228.361685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.361685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.361685 (E_RNA)
where:
Base-Base interactions energy: -801.471
where: short stacking energy: -345.873
Base-Backbone interact. energy: 6.279
local terms energy: -433.170090
where:
bonds (distance) C4'-P energy: -100.816
bonds (distance) P-C4' energy: -92.409
flat angles C4'-P-C4' energy: -97.427
flat angles P-C4'-P energy: -63.425
tors. eta vs tors. theta energy: -79.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -913.048395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.048395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.048395 (E_RNA)
where:
Base-Base interactions energy: -535.178
where: short stacking energy: -250.732
Base-Backbone interact. energy: 3.024
local terms energy: -380.895093
where:
bonds (distance) C4'-P energy: -98.739
bonds (distance) P-C4' energy: -105.792
flat angles C4'-P-C4' energy: -90.559
flat angles P-C4'-P energy: -38.133
tors. eta vs tors. theta energy: -47.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -598.280463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.280463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.280463 (E_RNA)
where:
Base-Base interactions energy: -298.070
where: short stacking energy: -186.462
Base-Backbone interact. energy: -4.072
local terms energy: -296.138352
where:
bonds (distance) C4'-P energy: -90.682
bonds (distance) P-C4' energy: -69.627
flat angles C4'-P-C4' energy: -72.605
flat angles P-C4'-P energy: -42.393
tors. eta vs tors. theta energy: -20.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1920.221357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.221357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.221357 (E_RNA)
where:
Base-Base interactions energy: -1323.644
where: short stacking energy: -551.775
Base-Backbone interact. energy: -2.864
local terms energy: -593.713225
where:
bonds (distance) C4'-P energy: -115.797
bonds (distance) P-C4' energy: -98.107
flat angles C4'-P-C4' energy: -123.021
flat angles P-C4'-P energy: -88.588
tors. eta vs tors. theta energy: -168.199
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: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1831.552807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.552807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.552807 (E_RNA)
where:
Base-Base interactions energy: -1269.592
where: short stacking energy: -536.267
Base-Backbone interact. energy: -2.381
local terms energy: -559.579172
where:
bonds (distance) C4'-P energy: -98.241
bonds (distance) P-C4' energy: -97.497
flat angles C4'-P-C4' energy: -119.320
flat angles P-C4'-P energy: -78.578
tors. eta vs tors. theta energy: -165.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1687.600125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.600125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.600125 (E_RNA)
where:
Base-Base interactions energy: -1150.364
where: short stacking energy: -478.181
Base-Backbone interact. energy: 1.052
local terms energy: -538.288816
where:
bonds (distance) C4'-P energy: -92.781
bonds (distance) P-C4' energy: -100.777
flat angles C4'-P-C4' energy: -120.011
flat angles P-C4'-P energy: -83.647
tors. eta vs tors. theta energy: -141.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1639.399732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.399732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.399732 (E_RNA)
where:
Base-Base interactions energy: -1113.593
where: short stacking energy: -480.255
Base-Backbone interact. energy: -2.505
local terms energy: -523.302002
where:
bonds (distance) C4'-P energy: -96.453
bonds (distance) P-C4' energy: -103.335
flat angles C4'-P-C4' energy: -106.537
flat angles P-C4'-P energy: -72.781
tors. eta vs tors. theta energy: -144.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1628.405465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.405465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.405465 (E_RNA)
where:
Base-Base interactions energy: -1115.741
where: short stacking energy: -477.301
Base-Backbone interact. energy: 0.808
local terms energy: -513.472985
where:
bonds (distance) C4'-P energy: -104.040
bonds (distance) P-C4' energy: -93.344
flat angles C4'-P-C4' energy: -102.310
flat angles P-C4'-P energy: -79.760
tors. eta vs tors. theta energy: -134.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1500.144321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.144321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.144321 (E_RNA)
where:
Base-Base interactions energy: -1005.189
where: short stacking energy: -437.510
Base-Backbone interact. energy: 2.261
local terms energy: -497.216673
where:
bonds (distance) C4'-P energy: -106.482
bonds (distance) P-C4' energy: -104.018
flat angles C4'-P-C4' energy: -106.601
flat angles P-C4'-P energy: -66.672
tors. eta vs tors. theta energy: -113.444
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: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1375.760977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.760977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.760977 (E_RNA)
where:
Base-Base interactions energy: -913.795
where: short stacking energy: -378.808
Base-Backbone interact. energy: -0.884
local terms energy: -461.081744
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -109.744
flat angles C4'-P-C4' energy: -99.292
flat angles P-C4'-P energy: -54.566
tors. eta vs tors. theta energy: -94.609
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: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1216.727559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.727559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.727559 (E_RNA)
where:
Base-Base interactions energy: -822.599
where: short stacking energy: -346.992
Base-Backbone interact. energy: -0.453
local terms energy: -393.675262
where:
bonds (distance) C4'-P energy: -64.837
bonds (distance) P-C4' energy: -85.605
flat angles C4'-P-C4' energy: -99.171
flat angles P-C4'-P energy: -57.476
tors. eta vs tors. theta energy: -86.587
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: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -868.761394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.761394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.761394 (E_RNA)
where:
Base-Base interactions energy: -526.631
where: short stacking energy: -249.415
Base-Backbone interact. energy: 0.750
local terms energy: -342.879631
where:
bonds (distance) C4'-P energy: -83.095
bonds (distance) P-C4' energy: -105.614
flat angles C4'-P-C4' energy: -76.176
flat angles P-C4'-P energy: -55.894
tors. eta vs tors. theta energy: -22.102
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: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -603.588185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.588185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.588185 (E_RNA)
where:
Base-Base interactions energy: -286.765
where: short stacking energy: -171.799
Base-Backbone interact. energy: 2.839
local terms energy: -319.662215
where:
bonds (distance) C4'-P energy: -81.195
bonds (distance) P-C4' energy: -105.370
flat angles C4'-P-C4' energy: -76.538
flat angles P-C4'-P energy: -49.291
tors. eta vs tors. theta energy: -7.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1948.450894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.450894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.450894 (E_RNA)
where:
Base-Base interactions energy: -1328.999
where: short stacking energy: -576.953
Base-Backbone interact. energy: -3.572
local terms energy: -615.879780
where:
bonds (distance) C4'-P energy: -116.195
bonds (distance) P-C4' energy: -115.200
flat angles C4'-P-C4' energy: -129.226
flat angles P-C4'-P energy: -86.095
tors. eta vs tors. theta energy: -169.164
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: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1832.494088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.494088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.494088 (E_RNA)
where:
Base-Base interactions energy: -1261.721
where: short stacking energy: -538.945
Base-Backbone interact. energy: 0.188
local terms energy: -570.960691
where:
bonds (distance) C4'-P energy: -101.548
bonds (distance) P-C4' energy: -104.369
flat angles C4'-P-C4' energy: -123.960
flat angles P-C4'-P energy: -78.682
tors. eta vs tors. theta energy: -162.401
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: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1727.965959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.965959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.965959 (E_RNA)
where:
Base-Base interactions energy: -1196.181
where: short stacking energy: -518.350
Base-Backbone interact. energy: -2.287
local terms energy: -529.497731
where:
bonds (distance) C4'-P energy: -87.481
bonds (distance) P-C4' energy: -90.620
flat angles C4'-P-C4' energy: -129.711
flat angles P-C4'-P energy: -75.568
tors. eta vs tors. theta energy: -146.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1651.008583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.008583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.008583 (E_RNA)
where:
Base-Base interactions energy: -1134.170
where: short stacking energy: -473.819
Base-Backbone interact. energy: -2.531
local terms energy: -514.307513
where:
bonds (distance) C4'-P energy: -101.632
bonds (distance) P-C4' energy: -96.960
flat angles C4'-P-C4' energy: -118.101
flat angles P-C4'-P energy: -73.125
tors. eta vs tors. theta energy: -124.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1653.458393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.458393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.458393 (E_RNA)
where:
Base-Base interactions energy: -1166.429
where: short stacking energy: -469.356
Base-Backbone interact. energy: 3.972
local terms energy: -491.001186
where:
bonds (distance) C4'-P energy: -91.444
bonds (distance) P-C4' energy: -92.036
flat angles C4'-P-C4' energy: -107.269
flat angles P-C4'-P energy: -63.375
tors. eta vs tors. theta energy: -136.878
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: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1521.367498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.367498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.367498 (E_RNA)
where:
Base-Base interactions energy: -1049.599
where: short stacking energy: -454.341
Base-Backbone interact. energy: -4.704
local terms energy: -467.064306
where:
bonds (distance) C4'-P energy: -89.655
bonds (distance) P-C4' energy: -99.546
flat angles C4'-P-C4' energy: -82.297
flat angles P-C4'-P energy: -70.793
tors. eta vs tors. theta energy: -124.773
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: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1384.647064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.647064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.647064 (E_RNA)
where:
Base-Base interactions energy: -915.320
where: short stacking energy: -400.750
Base-Backbone interact. energy: -0.818
local terms energy: -468.509767
where:
bonds (distance) C4'-P energy: -87.364
bonds (distance) P-C4' energy: -101.552
flat angles C4'-P-C4' energy: -102.236
flat angles P-C4'-P energy: -70.594
tors. eta vs tors. theta energy: -106.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1227.679985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.679985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.679985 (E_RNA)
where:
Base-Base interactions energy: -817.924
where: short stacking energy: -358.506
Base-Backbone interact. energy: -0.768
local terms energy: -408.988352
where:
bonds (distance) C4'-P energy: -87.649
bonds (distance) P-C4' energy: -70.672
flat angles C4'-P-C4' energy: -103.603
flat angles P-C4'-P energy: -71.993
tors. eta vs tors. theta energy: -75.071
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: 212
Temperature: 1.300000
Total energy: -907.770346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.770346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.770346 (E_RNA)
where:
Base-Base interactions energy: -540.811
where: short stacking energy: -261.497
Base-Backbone interact. energy: 0.732
local terms energy: -367.691616
where:
bonds (distance) C4'-P energy: -80.629
bonds (distance) P-C4' energy: -94.439
flat angles C4'-P-C4' energy: -93.407
flat angles P-C4'-P energy: -51.363
tors. eta vs tors. theta energy: -47.854
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: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -596.536562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.536562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.536562 (E_RNA)
where:
Base-Base interactions energy: -297.036
where: short stacking energy: -175.569
Base-Backbone interact. energy: 1.708
local terms energy: -301.208872
where:
bonds (distance) C4'-P energy: -86.475
bonds (distance) P-C4' energy: -90.040
flat angles C4'-P-C4' energy: -75.767
flat angles P-C4'-P energy: -41.757
tors. eta vs tors. theta energy: -7.171
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: 213
Temperature: 0.900000
Total energy: -1937.714672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.714672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.714672 (E_RNA)
where:
Base-Base interactions energy: -1325.276
where: short stacking energy: -553.169
Base-Backbone interact. energy: -3.206
local terms energy: -609.233267
where:
bonds (distance) C4'-P energy: -123.344
bonds (distance) P-C4' energy: -103.392
flat angles C4'-P-C4' energy: -127.082
flat angles P-C4'-P energy: -86.367
tors. eta vs tors. theta energy: -169.048
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: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1839.746408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.746408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.746408 (E_RNA)
where:
Base-Base interactions energy: -1267.748
where: short stacking energy: -562.916
Base-Backbone interact. energy: -1.702
local terms energy: -570.296597
where:
bonds (distance) C4'-P energy: -105.304
bonds (distance) P-C4' energy: -110.105
flat angles C4'-P-C4' energy: -115.739
flat angles P-C4'-P energy: -70.911
tors. eta vs tors. theta energy: -168.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1722.337586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.337586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.337586 (E_RNA)
where:
Base-Base interactions energy: -1176.435
where: short stacking energy: -496.477
Base-Backbone interact. energy: -3.956
local terms energy: -541.946672
where:
bonds (distance) C4'-P energy: -95.627
bonds (distance) P-C4' energy: -102.000
flat angles C4'-P-C4' energy: -120.111
flat angles P-C4'-P energy: -73.543
tors. eta vs tors. theta energy: -150.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1658.935628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.935628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.935628 (E_RNA)
where:
Base-Base interactions energy: -1159.916
where: short stacking energy: -497.366
Base-Backbone interact. energy: -4.608
local terms energy: -494.411545
where:
bonds (distance) C4'-P energy: -102.130
bonds (distance) P-C4' energy: -84.684
flat angles C4'-P-C4' energy: -102.952
flat angles P-C4'-P energy: -67.171
tors. eta vs tors. theta energy: -137.475
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: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1630.161328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.161328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.161328 (E_RNA)
where:
Base-Base interactions energy: -1119.939
where: short stacking energy: -458.769
Base-Backbone interact. energy: 4.303
local terms energy: -514.525555
where:
bonds (distance) C4'-P energy: -88.919
bonds (distance) P-C4' energy: -100.495
flat angles C4'-P-C4' energy: -122.928
flat angles P-C4'-P energy: -72.001
tors. eta vs tors. theta energy: -130.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1575.706238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.706238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.706238 (E_RNA)
where:
Base-Base interactions energy: -1090.155
where: short stacking energy: -469.590
Base-Backbone interact. energy: 3.912
local terms energy: -489.463146
where:
bonds (distance) C4'-P energy: -93.753
bonds (distance) P-C4' energy: -90.367
flat angles C4'-P-C4' energy: -102.633
flat angles P-C4'-P energy: -69.751
tors. eta vs tors. theta energy: -132.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1379.881950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.881950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.881950 (E_RNA)
where:
Base-Base interactions energy: -923.214
where: short stacking energy: -386.754
Base-Backbone interact. energy: 0.267
local terms energy: -456.935168
where:
bonds (distance) C4'-P energy: -83.433
bonds (distance) P-C4' energy: -108.124
flat angles C4'-P-C4' energy: -100.890
flat angles P-C4'-P energy: -67.153
tors. eta vs tors. theta energy: -97.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1159.157396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.157396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.157396 (E_RNA)
where:
Base-Base interactions energy: -762.528
where: short stacking energy: -339.441
Base-Backbone interact. energy: 1.032
local terms energy: -397.661784
where:
bonds (distance) C4'-P energy: -97.411
bonds (distance) P-C4' energy: -85.030
flat angles C4'-P-C4' energy: -89.178
flat angles P-C4'-P energy: -61.816
tors. eta vs tors. theta energy: -64.227
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: 213
Temperature: 1.300000
Total energy: -961.019669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.019669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.019669 (E_RNA)
where:
Base-Base interactions energy: -580.620
where: short stacking energy: -273.597
Base-Backbone interact. energy: 0.776
local terms energy: -381.175309
where:
bonds (distance) C4'-P energy: -87.501
bonds (distance) P-C4' energy: -88.282
flat angles C4'-P-C4' energy: -96.445
flat angles P-C4'-P energy: -50.017
tors. eta vs tors. theta energy: -58.930
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: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -536.723996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.723996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.723996 (E_RNA)
where:
Base-Base interactions energy: -258.428
where: short stacking energy: -141.186
Base-Backbone interact. energy: 4.411
local terms energy: -282.706641
where:
bonds (distance) C4'-P energy: -72.735
bonds (distance) P-C4' energy: -80.686
flat angles C4'-P-C4' energy: -61.785
flat angles P-C4'-P energy: -61.024
tors. eta vs tors. theta energy: -6.476
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: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1915.431770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.431770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.431770 (E_RNA)
where:
Base-Base interactions energy: -1334.096
where: short stacking energy: -558.598
Base-Backbone interact. energy: -3.207
local terms energy: -578.128572
where:
bonds (distance) C4'-P energy: -108.256
bonds (distance) P-C4' energy: -96.528
flat angles C4'-P-C4' energy: -128.142
flat angles P-C4'-P energy: -83.247
tors. eta vs tors. theta energy: -161.955
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: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1855.517205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.517205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.517205 (E_RNA)
where:
Base-Base interactions energy: -1282.843
where: short stacking energy: -582.763
Base-Backbone interact. energy: -1.866
local terms energy: -570.807631
where:
bonds (distance) C4'-P energy: -103.429
bonds (distance) P-C4' energy: -98.220
flat angles C4'-P-C4' energy: -111.195
flat angles P-C4'-P energy: -84.904
tors. eta vs tors. theta energy: -173.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1738.049274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.049274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.049274 (E_RNA)
where:
Base-Base interactions energy: -1166.284
where: short stacking energy: -517.107
Base-Backbone interact. energy: -3.305
local terms energy: -568.459933
where:
bonds (distance) C4'-P energy: -106.808
bonds (distance) P-C4' energy: -109.372
flat angles C4'-P-C4' energy: -121.546
flat angles P-C4'-P energy: -85.513
tors. eta vs tors. theta energy: -145.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1654.183879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.183879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.183879 (E_RNA)
where:
Base-Base interactions energy: -1120.423
where: short stacking energy: -469.422
Base-Backbone interact. energy: -0.919
local terms energy: -532.842833
where:
bonds (distance) C4'-P energy: -106.384
bonds (distance) P-C4' energy: -109.057
flat angles C4'-P-C4' energy: -109.661
flat angles P-C4'-P energy: -74.518
tors. eta vs tors. theta energy: -133.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1609.118462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.118462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.118462 (E_RNA)
where:
Base-Base interactions energy: -1096.095
where: short stacking energy: -444.202
Base-Backbone interact. energy: -3.649
local terms energy: -509.374486
where:
bonds (distance) C4'-P energy: -107.910
bonds (distance) P-C4' energy: -88.849
flat angles C4'-P-C4' energy: -110.743
flat angles P-C4'-P energy: -80.317
tors. eta vs tors. theta energy: -121.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1594.974862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.974862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.974862 (E_RNA)
where:
Base-Base interactions energy: -1090.041
where: short stacking energy: -467.348
Base-Backbone interact. energy: -0.325
local terms energy: -504.608440
where:
bonds (distance) C4'-P energy: -92.607
bonds (distance) P-C4' energy: -109.986
flat angles C4'-P-C4' energy: -108.797
flat angles P-C4'-P energy: -61.850
tors. eta vs tors. theta energy: -131.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1346.671205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.671205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.671205 (E_RNA)
where:
Base-Base interactions energy: -886.029
where: short stacking energy: -404.615
Base-Backbone interact. energy: -2.407
local terms energy: -458.235068
where:
bonds (distance) C4'-P energy: -85.963
bonds (distance) P-C4' energy: -102.390
flat angles C4'-P-C4' energy: -95.924
flat angles P-C4'-P energy: -66.029
tors. eta vs tors. theta energy: -107.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1169.771444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.771444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.771444 (E_RNA)
where:
Base-Base interactions energy: -777.733
where: short stacking energy: -328.448
Base-Backbone interact. energy: 1.169
local terms energy: -393.207131
where:
bonds (distance) C4'-P energy: -80.369
bonds (distance) P-C4' energy: -93.774
flat angles C4'-P-C4' energy: -81.398
flat angles P-C4'-P energy: -68.214
tors. eta vs tors. theta energy: -69.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -920.269352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.269352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.269352 (E_RNA)
where:
Base-Base interactions energy: -560.655
where: short stacking energy: -279.132
Base-Backbone interact. energy: 5.853
local terms energy: -365.467416
where:
bonds (distance) C4'-P energy: -92.185
bonds (distance) P-C4' energy: -93.925
flat angles C4'-P-C4' energy: -85.743
flat angles P-C4'-P energy: -49.819
tors. eta vs tors. theta energy: -43.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -565.419961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.419961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.419961 (E_RNA)
where:
Base-Base interactions energy: -255.801
where: short stacking energy: -160.341
Base-Backbone interact. energy: 0.781
local terms energy: -310.399573
where:
bonds (distance) C4'-P energy: -86.398
bonds (distance) P-C4' energy: -99.412
flat angles C4'-P-C4' energy: -80.760
flat angles P-C4'-P energy: -43.965
tors. eta vs tors. theta energy: 0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1938.402630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.402630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.402630 (E_RNA)
where:
Base-Base interactions energy: -1349.515
where: short stacking energy: -583.627
Base-Backbone interact. energy: -2.523
local terms energy: -586.363912
where:
bonds (distance) C4'-P energy: -100.715
bonds (distance) P-C4' energy: -96.794
flat angles C4'-P-C4' energy: -123.237
flat angles P-C4'-P energy: -84.321
tors. eta vs tors. theta energy: -181.296
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: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1864.754269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.754269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.754269 (E_RNA)
where:
Base-Base interactions energy: -1289.612
where: short stacking energy: -558.065
Base-Backbone interact. energy: -1.726
local terms energy: -573.417074
where:
bonds (distance) C4'-P energy: -98.445
bonds (distance) P-C4' energy: -107.019
flat angles C4'-P-C4' energy: -117.988
flat angles P-C4'-P energy: -82.419
tors. eta vs tors. theta energy: -167.546
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: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1746.490157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.490157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.490157 (E_RNA)
where:
Base-Base interactions energy: -1214.844
where: short stacking energy: -515.187
Base-Backbone interact. energy: -1.776
local terms energy: -529.869719
where:
bonds (distance) C4'-P energy: -105.142
bonds (distance) P-C4' energy: -94.981
flat angles C4'-P-C4' energy: -121.203
flat angles P-C4'-P energy: -64.674
tors. eta vs tors. theta energy: -143.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1639.172115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.172115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.172115 (E_RNA)
where:
Base-Base interactions energy: -1118.372
where: short stacking energy: -480.798
Base-Backbone interact. energy: -1.245
local terms energy: -519.555896
where:
bonds (distance) C4'-P energy: -79.550
bonds (distance) P-C4' energy: -105.873
flat angles C4'-P-C4' energy: -107.521
flat angles P-C4'-P energy: -84.443
tors. eta vs tors. theta energy: -142.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1580.522634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.522634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.522634 (E_RNA)
where:
Base-Base interactions energy: -1088.085
where: short stacking energy: -457.290
Base-Backbone interact. energy: 2.028
local terms energy: -494.465411
where:
bonds (distance) C4'-P energy: -96.140
bonds (distance) P-C4' energy: -100.646
flat angles C4'-P-C4' energy: -111.808
flat angles P-C4'-P energy: -65.362
tors. eta vs tors. theta energy: -120.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1544.833269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.833269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.833269 (E_RNA)
where:
Base-Base interactions energy: -1058.721
where: short stacking energy: -457.238
Base-Backbone interact. energy: -1.940
local terms energy: -484.172487
where:
bonds (distance) C4'-P energy: -82.249
bonds (distance) P-C4' energy: -108.046
flat angles C4'-P-C4' energy: -118.531
flat angles P-C4'-P energy: -45.817
tors. eta vs tors. theta energy: -129.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1321.282657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.282657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.282657 (E_RNA)
where:
Base-Base interactions energy: -901.388
where: short stacking energy: -375.781
Base-Backbone interact. energy: -1.490
local terms energy: -418.405567
where:
bonds (distance) C4'-P energy: -76.882
bonds (distance) P-C4' energy: -105.163
flat angles C4'-P-C4' energy: -103.030
flat angles P-C4'-P energy: -41.858
tors. eta vs tors. theta energy: -91.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1185.247052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.247052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.247052 (E_RNA)
where:
Base-Base interactions energy: -786.800
where: short stacking energy: -330.591
Base-Backbone interact. energy: -1.251
local terms energy: -397.196442
where:
bonds (distance) C4'-P energy: -98.264
bonds (distance) P-C4' energy: -100.926
flat angles C4'-P-C4' energy: -75.318
flat angles P-C4'-P energy: -49.794
tors. eta vs tors. theta energy: -72.894
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: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -923.284308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.284308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.284308 (E_RNA)
where:
Base-Base interactions energy: -546.819
where: short stacking energy: -272.787
Base-Backbone interact. energy: -0.960
local terms energy: -375.505771
where:
bonds (distance) C4'-P energy: -91.410
bonds (distance) P-C4' energy: -93.573
flat angles C4'-P-C4' energy: -82.730
flat angles P-C4'-P energy: -56.563
tors. eta vs tors. theta energy: -51.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -581.266837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.266837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.266837 (E_RNA)
where:
Base-Base interactions energy: -292.130
where: short stacking energy: -180.201
Base-Backbone interact. energy: 0.540
local terms energy: -289.677215
where:
bonds (distance) C4'-P energy: -83.481
bonds (distance) P-C4' energy: -95.183
flat angles C4'-P-C4' energy: -62.298
flat angles P-C4'-P energy: -42.527
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1893.402502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.402502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.402502 (E_RNA)
where:
Base-Base interactions energy: -1304.641
where: short stacking energy: -565.362
Base-Backbone interact. energy: -2.409
local terms energy: -586.352682
where:
bonds (distance) C4'-P energy: -111.244
bonds (distance) P-C4' energy: -104.405
flat angles C4'-P-C4' energy: -108.221
flat angles P-C4'-P energy: -91.515
tors. eta vs tors. theta energy: -170.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1838.641680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.641680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.641680 (E_RNA)
where:
Base-Base interactions energy: -1262.157
where: short stacking energy: -569.577
Base-Backbone interact. energy: -4.517
local terms energy: -571.967978
where:
bonds (distance) C4'-P energy: -107.297
bonds (distance) P-C4' energy: -95.805
flat angles C4'-P-C4' energy: -111.011
flat angles P-C4'-P energy: -84.088
tors. eta vs tors. theta energy: -173.767
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: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1734.543158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.543158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.543158 (E_RNA)
where:
Base-Base interactions energy: -1183.391
where: short stacking energy: -510.471
Base-Backbone interact. energy: 4.419
local terms energy: -555.571288
where:
bonds (distance) C4'-P energy: -110.754
bonds (distance) P-C4' energy: -108.329
flat angles C4'-P-C4' energy: -111.808
flat angles P-C4'-P energy: -76.996
tors. eta vs tors. theta energy: -147.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1642.109917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.109917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.109917 (E_RNA)
where:
Base-Base interactions energy: -1132.018
where: short stacking energy: -477.690
Base-Backbone interact. energy: -2.029
local terms energy: -508.062715
where:
bonds (distance) C4'-P energy: -93.176
bonds (distance) P-C4' energy: -87.411
flat angles C4'-P-C4' energy: -127.335
flat angles P-C4'-P energy: -65.660
tors. eta vs tors. theta energy: -134.480
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: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1546.308600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.308600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.308600 (E_RNA)
where:
Base-Base interactions energy: -1051.655
where: short stacking energy: -440.640
Base-Backbone interact. energy: -0.007
local terms energy: -494.647370
where:
bonds (distance) C4'-P energy: -100.370
bonds (distance) P-C4' energy: -101.045
flat angles C4'-P-C4' energy: -116.233
flat angles P-C4'-P energy: -56.465
tors. eta vs tors. theta energy: -120.535
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: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1557.206208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.206208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.206208 (E_RNA)
where:
Base-Base interactions energy: -1075.636
where: short stacking energy: -442.631
Base-Backbone interact. energy: -4.917
local terms energy: -476.652680
where:
bonds (distance) C4'-P energy: -97.709
bonds (distance) P-C4' energy: -93.900
flat angles C4'-P-C4' energy: -103.885
flat angles P-C4'-P energy: -60.224
tors. eta vs tors. theta energy: -120.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1345.616112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.616112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.616112 (E_RNA)
where:
Base-Base interactions energy: -904.708
where: short stacking energy: -380.430
Base-Backbone interact. energy: 0.431
local terms energy: -441.339813
where:
bonds (distance) C4'-P energy: -81.681
bonds (distance) P-C4' energy: -104.166
flat angles C4'-P-C4' energy: -101.502
flat angles P-C4'-P energy: -65.847
tors. eta vs tors. theta energy: -88.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1205.556850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.556850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.556850 (E_RNA)
where:
Base-Base interactions energy: -810.651
where: short stacking energy: -359.091
Base-Backbone interact. energy: 0.494
local terms energy: -395.400545
where:
bonds (distance) C4'-P energy: -75.589
bonds (distance) P-C4' energy: -90.852
flat angles C4'-P-C4' energy: -87.919
flat angles P-C4'-P energy: -56.177
tors. eta vs tors. theta energy: -84.864
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: 216
Temperature: 1.300000
Total energy: -813.464802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.464802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.464802 (E_RNA)
where:
Base-Base interactions energy: -460.491
where: short stacking energy: -201.980
Base-Backbone interact. energy: 0.638
local terms energy: -353.611930
where:
bonds (distance) C4'-P energy: -90.811
bonds (distance) P-C4' energy: -96.053
flat angles C4'-P-C4' energy: -85.259
flat angles P-C4'-P energy: -58.654
tors. eta vs tors. theta energy: -22.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -589.061232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.061232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.061232 (E_RNA)
where:
Base-Base interactions energy: -282.096
where: short stacking energy: -129.385
Base-Backbone interact. energy: -2.152
local terms energy: -304.812431
where:
bonds (distance) C4'-P energy: -92.294
bonds (distance) P-C4' energy: -94.166
flat angles C4'-P-C4' energy: -83.747
flat angles P-C4'-P energy: -37.049
tors. eta vs tors. theta energy: 2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1916.382151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.382151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.382151 (E_RNA)
where:
Base-Base interactions energy: -1321.705
where: short stacking energy: -575.016
Base-Backbone interact. energy: 0.629
local terms energy: -595.305396
where:
bonds (distance) C4'-P energy: -104.981
bonds (distance) P-C4' energy: -112.305
flat angles C4'-P-C4' energy: -124.779
flat angles P-C4'-P energy: -85.199
tors. eta vs tors. theta energy: -168.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1829.538486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.538486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.538486 (E_RNA)
where:
Base-Base interactions energy: -1237.292
where: short stacking energy: -559.869
Base-Backbone interact. energy: -2.634
local terms energy: -589.613289
where:
bonds (distance) C4'-P energy: -107.269
bonds (distance) P-C4' energy: -102.225
flat angles C4'-P-C4' energy: -130.154
flat angles P-C4'-P energy: -86.674
tors. eta vs tors. theta energy: -163.290
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: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1702.436734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.436734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.436734 (E_RNA)
where:
Base-Base interactions energy: -1170.700
where: short stacking energy: -491.578
Base-Backbone interact. energy: -2.167
local terms energy: -529.569625
where:
bonds (distance) C4'-P energy: -92.417
bonds (distance) P-C4' energy: -112.634
flat angles C4'-P-C4' energy: -104.336
flat angles P-C4'-P energy: -71.852
tors. eta vs tors. theta energy: -148.331
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: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1652.457152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.457152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.457152 (E_RNA)
where:
Base-Base interactions energy: -1110.620
where: short stacking energy: -493.750
Base-Backbone interact. energy: 0.417
local terms energy: -542.254581
where:
bonds (distance) C4'-P energy: -98.178
bonds (distance) P-C4' energy: -103.566
flat angles C4'-P-C4' energy: -127.716
flat angles P-C4'-P energy: -74.834
tors. eta vs tors. theta energy: -137.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1569.744976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.744976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.744976 (E_RNA)
where:
Base-Base interactions energy: -1064.200
where: short stacking energy: -433.408
Base-Backbone interact. energy: -1.938
local terms energy: -503.607692
where:
bonds (distance) C4'-P energy: -109.403
bonds (distance) P-C4' energy: -94.874
flat angles C4'-P-C4' energy: -99.199
flat angles P-C4'-P energy: -67.910
tors. eta vs tors. theta energy: -132.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1472.617682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.617682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.617682 (E_RNA)
where:
Base-Base interactions energy: -1032.082
where: short stacking energy: -435.014
Base-Backbone interact. energy: -1.511
local terms energy: -439.025069
where:
bonds (distance) C4'-P energy: -70.922
bonds (distance) P-C4' energy: -96.107
flat angles C4'-P-C4' energy: -96.962
flat angles P-C4'-P energy: -67.453
tors. eta vs tors. theta energy: -107.582
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: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1347.305489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.305489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.305489 (E_RNA)
where:
Base-Base interactions energy: -890.628
where: short stacking energy: -377.232
Base-Backbone interact. energy: 1.810
local terms energy: -458.487607
where:
bonds (distance) C4'-P energy: -97.621
bonds (distance) P-C4' energy: -99.948
flat angles C4'-P-C4' energy: -107.919
flat angles P-C4'-P energy: -61.452
tors. eta vs tors. theta energy: -91.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1248.540709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.540709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.540709 (E_RNA)
where:
Base-Base interactions energy: -825.439
where: short stacking energy: -365.760
Base-Backbone interact. energy: 1.582
local terms energy: -424.684273
where:
bonds (distance) C4'-P energy: -74.689
bonds (distance) P-C4' energy: -92.435
flat angles C4'-P-C4' energy: -95.888
flat angles P-C4'-P energy: -65.874
tors. eta vs tors. theta energy: -95.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -815.727618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.727618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.727618 (E_RNA)
where:
Base-Base interactions energy: -472.725
where: short stacking energy: -220.300
Base-Backbone interact. energy: -1.116
local terms energy: -341.886604
where:
bonds (distance) C4'-P energy: -76.118
bonds (distance) P-C4' energy: -99.719
flat angles C4'-P-C4' energy: -89.630
flat angles P-C4'-P energy: -54.601
tors. eta vs tors. theta energy: -21.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -559.400649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.400649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.400649 (E_RNA)
where:
Base-Base interactions energy: -259.233
where: short stacking energy: -149.222
Base-Backbone interact. energy: -1.653
local terms energy: -298.514692
where:
bonds (distance) C4'-P energy: -84.075
bonds (distance) P-C4' energy: -101.979
flat angles C4'-P-C4' energy: -69.097
flat angles P-C4'-P energy: -31.856
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1921.011499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.011499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.011499 (E_RNA)
where:
Base-Base interactions energy: -1294.692
where: short stacking energy: -553.705
Base-Backbone interact. energy: -0.837
local terms energy: -625.482433
where:
bonds (distance) C4'-P energy: -120.597
bonds (distance) P-C4' energy: -119.599
flat angles C4'-P-C4' energy: -123.586
flat angles P-C4'-P energy: -84.356
tors. eta vs tors. theta energy: -177.344
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: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1832.045794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.045794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.045794 (E_RNA)
where:
Base-Base interactions energy: -1261.479
where: short stacking energy: -564.833
Base-Backbone interact. energy: -1.869
local terms energy: -568.698440
where:
bonds (distance) C4'-P energy: -106.139
bonds (distance) P-C4' energy: -95.762
flat angles C4'-P-C4' energy: -120.301
flat angles P-C4'-P energy: -76.299
tors. eta vs tors. theta energy: -170.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1736.415384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.415384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.415384 (E_RNA)
where:
Base-Base interactions energy: -1184.434
where: short stacking energy: -508.209
Base-Backbone interact. energy: -4.498
local terms energy: -547.483790
where:
bonds (distance) C4'-P energy: -103.090
bonds (distance) P-C4' energy: -92.495
flat angles C4'-P-C4' energy: -116.329
flat angles P-C4'-P energy: -78.039
tors. eta vs tors. theta energy: -157.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1665.003098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.003098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.003098 (E_RNA)
where:
Base-Base interactions energy: -1151.375
where: short stacking energy: -515.668
Base-Backbone interact. energy: -0.157
local terms energy: -513.471873
where:
bonds (distance) C4'-P energy: -96.045
bonds (distance) P-C4' energy: -92.336
flat angles C4'-P-C4' energy: -114.050
flat angles P-C4'-P energy: -69.301
tors. eta vs tors. theta energy: -141.739
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: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1565.538536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.538536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.538536 (E_RNA)
where:
Base-Base interactions energy: -1083.130
where: short stacking energy: -460.590
Base-Backbone interact. energy: -2.921
local terms energy: -479.487858
where:
bonds (distance) C4'-P energy: -81.598
bonds (distance) P-C4' energy: -103.047
flat angles C4'-P-C4' energy: -109.760
flat angles P-C4'-P energy: -57.544
tors. eta vs tors. theta energy: -127.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1466.447905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.447905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.447905 (E_RNA)
where:
Base-Base interactions energy: -995.112
where: short stacking energy: -400.948
Base-Backbone interact. energy: 0.119
local terms energy: -471.454850
where:
bonds (distance) C4'-P energy: -87.371
bonds (distance) P-C4' energy: -97.524
flat angles C4'-P-C4' energy: -120.753
flat angles P-C4'-P energy: -64.621
tors. eta vs tors. theta energy: -101.186
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: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1299.517895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.517895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.517895 (E_RNA)
where:
Base-Base interactions energy: -879.276
where: short stacking energy: -371.712
Base-Backbone interact. energy: -2.962
local terms energy: -417.280008
where:
bonds (distance) C4'-P energy: -89.491
bonds (distance) P-C4' energy: -77.642
flat angles C4'-P-C4' energy: -92.993
flat angles P-C4'-P energy: -67.280
tors. eta vs tors. theta energy: -89.873
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: 2
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1225.297671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.297671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.297671 (E_RNA)
where:
Base-Base interactions energy: -800.133
where: short stacking energy: -346.921
Base-Backbone interact. energy: -0.702
local terms energy: -424.463055
where:
bonds (distance) C4'-P energy: -90.583
bonds (distance) P-C4' energy: -96.115
flat angles C4'-P-C4' energy: -98.680
flat angles P-C4'-P energy: -60.916
tors. eta vs tors. theta energy: -78.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -892.141928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.141928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.141928 (E_RNA)
where:
Base-Base interactions energy: -518.538
where: short stacking energy: -257.256
Base-Backbone interact. energy: 0.497
local terms energy: -374.101052
where:
bonds (distance) C4'-P energy: -83.720
bonds (distance) P-C4' energy: -90.902
flat angles C4'-P-C4' energy: -103.727
flat angles P-C4'-P energy: -45.897
tors. eta vs tors. theta energy: -49.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -585.592968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.592968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.592968 (E_RNA)
where:
Base-Base interactions energy: -293.687
where: short stacking energy: -155.831
Base-Backbone interact. energy: 0.732
local terms energy: -292.638089
where:
bonds (distance) C4'-P energy: -74.999
bonds (distance) P-C4' energy: -96.287
flat angles C4'-P-C4' energy: -88.090
flat angles P-C4'-P energy: -44.020
tors. eta vs tors. theta energy: 10.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1930.053263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.053263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.053263 (E_RNA)
where:
Base-Base interactions energy: -1318.903
where: short stacking energy: -567.507
Base-Backbone interact. energy: -1.916
local terms energy: -609.234457
where:
bonds (distance) C4'-P energy: -108.681
bonds (distance) P-C4' energy: -112.109
flat angles C4'-P-C4' energy: -125.534
flat angles P-C4'-P energy: -88.225
tors. eta vs tors. theta energy: -174.686
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: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1849.738613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.738613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.738613 (E_RNA)
where:
Base-Base interactions energy: -1253.939
where: short stacking energy: -537.571
Base-Backbone interact. energy: -2.913
local terms energy: -592.886433
where:
bonds (distance) C4'-P energy: -106.109
bonds (distance) P-C4' energy: -115.899
flat angles C4'-P-C4' energy: -126.852
flat angles P-C4'-P energy: -84.871
tors. eta vs tors. theta energy: -159.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1709.590508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.590508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.590508 (E_RNA)
where:
Base-Base interactions energy: -1160.015
where: short stacking energy: -490.753
Base-Backbone interact. energy: -1.023
local terms energy: -548.552097
where:
bonds (distance) C4'-P energy: -99.870
bonds (distance) P-C4' energy: -103.083
flat angles C4'-P-C4' energy: -120.416
flat angles P-C4'-P energy: -76.230
tors. eta vs tors. theta energy: -148.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1652.183820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.183820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.183820 (E_RNA)
where:
Base-Base interactions energy: -1137.316
where: short stacking energy: -499.173
Base-Backbone interact. energy: -3.008
local terms energy: -511.860139
where:
bonds (distance) C4'-P energy: -102.718
bonds (distance) P-C4' energy: -78.641
flat angles C4'-P-C4' energy: -122.489
flat angles P-C4'-P energy: -68.468
tors. eta vs tors. theta energy: -139.544
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: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1594.033569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.033569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.033569 (E_RNA)
where:
Base-Base interactions energy: -1100.230
where: short stacking energy: -450.133
Base-Backbone interact. energy: -3.277
local terms energy: -490.526662
where:
bonds (distance) C4'-P energy: -91.701
bonds (distance) P-C4' energy: -101.638
flat angles C4'-P-C4' energy: -107.531
flat angles P-C4'-P energy: -63.714
tors. eta vs tors. theta energy: -125.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1444.477910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.477910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.477910 (E_RNA)
where:
Base-Base interactions energy: -991.576
where: short stacking energy: -395.210
Base-Backbone interact. energy: -2.767
local terms energy: -450.134922
where:
bonds (distance) C4'-P energy: -92.397
bonds (distance) P-C4' energy: -93.739
flat angles C4'-P-C4' energy: -105.604
flat angles P-C4'-P energy: -63.318
tors. eta vs tors. theta energy: -95.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1343.900448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.900448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.900448 (E_RNA)
where:
Base-Base interactions energy: -899.494
where: short stacking energy: -383.062
Base-Backbone interact. energy: -0.086
local terms energy: -444.319882
where:
bonds (distance) C4'-P energy: -101.516
bonds (distance) P-C4' energy: -89.766
flat angles C4'-P-C4' energy: -99.814
flat angles P-C4'-P energy: -62.670
tors. eta vs tors. theta energy: -90.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1237.298103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.298103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.298103 (E_RNA)
where:
Base-Base interactions energy: -818.500
where: short stacking energy: -344.382
Base-Backbone interact. energy: 6.487
local terms energy: -425.285833
where:
bonds (distance) C4'-P energy: -81.908
bonds (distance) P-C4' energy: -93.987
flat angles C4'-P-C4' energy: -93.641
flat angles P-C4'-P energy: -63.504
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: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -917.712740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.712740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.712740 (E_RNA)
where:
Base-Base interactions energy: -549.145
where: short stacking energy: -252.945
Base-Backbone interact. energy: -0.349
local terms energy: -368.219210
where:
bonds (distance) C4'-P energy: -94.555
bonds (distance) P-C4' energy: -93.833
flat angles C4'-P-C4' energy: -90.496
flat angles P-C4'-P energy: -53.301
tors. eta vs tors. theta energy: -36.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -601.558396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.558396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.558396 (E_RNA)
where:
Base-Base interactions energy: -291.596
where: short stacking energy: -192.301
Base-Backbone interact. energy: -0.710
local terms energy: -309.252100
where:
bonds (distance) C4'-P energy: -93.627
bonds (distance) P-C4' energy: -92.121
flat angles C4'-P-C4' energy: -79.559
flat angles P-C4'-P energy: -37.129
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1888.491924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.491924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.491924 (E_RNA)
where:
Base-Base interactions energy: -1293.666
where: short stacking energy: -582.112
Base-Backbone interact. energy: -5.159
local terms energy: -589.666730
where:
bonds (distance) C4'-P energy: -110.922
bonds (distance) P-C4' energy: -103.647
flat angles C4'-P-C4' energy: -136.614
flat angles P-C4'-P energy: -80.585
tors. eta vs tors. theta energy: -157.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1878.147424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.147424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.147424 (E_RNA)
where:
Base-Base interactions energy: -1292.100
where: short stacking energy: -537.871
Base-Backbone interact. energy: -2.627
local terms energy: -583.420184
where:
bonds (distance) C4'-P energy: -100.093
bonds (distance) P-C4' energy: -107.729
flat angles C4'-P-C4' energy: -113.847
flat angles P-C4'-P energy: -94.149
tors. eta vs tors. theta energy: -167.602
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: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1706.135916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.135916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.135916 (E_RNA)
where:
Base-Base interactions energy: -1171.078
where: short stacking energy: -508.104
Base-Backbone interact. energy: 1.984
local terms energy: -537.041993
where:
bonds (distance) C4'-P energy: -93.547
bonds (distance) P-C4' energy: -99.033
flat angles C4'-P-C4' energy: -117.203
flat angles P-C4'-P energy: -79.394
tors. eta vs tors. theta energy: -147.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1600.489697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.489697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.489697 (E_RNA)
where:
Base-Base interactions energy: -1066.887
where: short stacking energy: -470.490
Base-Backbone interact. energy: -1.652
local terms energy: -531.951136
where:
bonds (distance) C4'-P energy: -96.331
bonds (distance) P-C4' energy: -97.965
flat angles C4'-P-C4' energy: -117.055
flat angles P-C4'-P energy: -85.448
tors. eta vs tors. theta energy: -135.153
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: 1
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1598.569346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.569346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.569346 (E_RNA)
where:
Base-Base interactions energy: -1080.991
where: short stacking energy: -454.372
Base-Backbone interact. energy: -0.347
local terms energy: -517.232170
where:
bonds (distance) C4'-P energy: -106.771
bonds (distance) P-C4' energy: -88.625
flat angles C4'-P-C4' energy: -115.004
flat angles P-C4'-P energy: -69.066
tors. eta vs tors. theta energy: -137.766
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: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1496.249014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.249014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.249014 (E_RNA)
where:
Base-Base interactions energy: -1024.978
where: short stacking energy: -415.201
Base-Backbone interact. energy: -2.518
local terms energy: -468.752679
where:
bonds (distance) C4'-P energy: -96.995
bonds (distance) P-C4' energy: -93.740
flat angles C4'-P-C4' energy: -108.333
flat angles P-C4'-P energy: -66.096
tors. eta vs tors. theta energy: -103.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1278.814156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.814156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.814156 (E_RNA)
where:
Base-Base interactions energy: -855.060
where: short stacking energy: -374.781
Base-Backbone interact. energy: -0.219
local terms energy: -423.534926
where:
bonds (distance) C4'-P energy: -85.574
bonds (distance) P-C4' energy: -90.148
flat angles C4'-P-C4' energy: -99.674
flat angles P-C4'-P energy: -53.079
tors. eta vs tors. theta energy: -95.060
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: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1244.960386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.960386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.960386 (E_RNA)
where:
Base-Base interactions energy: -816.148
where: short stacking energy: -359.275
Base-Backbone interact. energy: -2.535
local terms energy: -426.276921
where:
bonds (distance) C4'-P energy: -96.730
bonds (distance) P-C4' energy: -96.119
flat angles C4'-P-C4' energy: -93.894
flat angles P-C4'-P energy: -55.850
tors. eta vs tors. theta energy: -83.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -877.796823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.796823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.796823 (E_RNA)
where:
Base-Base interactions energy: -544.136
where: short stacking energy: -248.238
Base-Backbone interact. energy: -1.820
local terms energy: -331.840368
where:
bonds (distance) C4'-P energy: -74.771
bonds (distance) P-C4' energy: -78.024
flat angles C4'-P-C4' energy: -91.227
flat angles P-C4'-P energy: -53.373
tors. eta vs tors. theta energy: -34.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -531.783564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.783564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.783564 (E_RNA)
where:
Base-Base interactions energy: -238.373
where: short stacking energy: -141.911
Base-Backbone interact. energy: -0.245
local terms energy: -293.165680
where:
bonds (distance) C4'-P energy: -70.088
bonds (distance) P-C4' energy: -103.931
flat angles C4'-P-C4' energy: -70.134
flat angles P-C4'-P energy: -60.756
tors. eta vs tors. theta energy: 11.743
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: 221
Temperature: 0.900000
Total energy: -1911.489248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.489248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.489248 (E_RNA)
where:
Base-Base interactions energy: -1308.248
where: short stacking energy: -598.311
Base-Backbone interact. energy: -6.603
local terms energy: -596.637451
where:
bonds (distance) C4'-P energy: -110.197
bonds (distance) P-C4' energy: -108.187
flat angles C4'-P-C4' energy: -120.130
flat angles P-C4'-P energy: -80.359
tors. eta vs tors. theta energy: -177.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1847.668414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.668414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.668414 (E_RNA)
where:
Base-Base interactions energy: -1267.444
where: short stacking energy: -537.091
Base-Backbone interact. energy: 0.785
local terms energy: -581.009330
where:
bonds (distance) C4'-P energy: -111.738
bonds (distance) P-C4' energy: -110.419
flat angles C4'-P-C4' energy: -124.994
flat angles P-C4'-P energy: -76.276
tors. eta vs tors. theta energy: -157.582
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: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1724.572083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.572083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.572083 (E_RNA)
where:
Base-Base interactions energy: -1158.067
where: short stacking energy: -499.127
Base-Backbone interact. energy: 2.503
local terms energy: -569.008473
where:
bonds (distance) C4'-P energy: -96.366
bonds (distance) P-C4' energy: -113.222
flat angles C4'-P-C4' energy: -118.187
flat angles P-C4'-P energy: -82.991
tors. eta vs tors. theta energy: -158.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1637.808794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.808794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.808794 (E_RNA)
where:
Base-Base interactions energy: -1106.956
where: short stacking energy: -458.807
Base-Backbone interact. energy: 1.708
local terms energy: -532.560325
where:
bonds (distance) C4'-P energy: -96.380
bonds (distance) P-C4' energy: -104.873
flat angles C4'-P-C4' energy: -125.464
flat angles P-C4'-P energy: -78.102
tors. eta vs tors. theta energy: -127.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1610.980664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.980664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.980664 (E_RNA)
where:
Base-Base interactions energy: -1092.847
where: short stacking energy: -463.651
Base-Backbone interact. energy: 0.597
local terms energy: -518.730923
where:
bonds (distance) C4'-P energy: -100.862
bonds (distance) P-C4' energy: -88.307
flat angles C4'-P-C4' energy: -116.051
flat angles P-C4'-P energy: -83.923
tors. eta vs tors. theta energy: -129.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1523.382379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.382379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.382379 (E_RNA)
where:
Base-Base interactions energy: -1058.579
where: short stacking energy: -433.868
Base-Backbone interact. energy: 0.069
local terms energy: -464.872880
where:
bonds (distance) C4'-P energy: -100.357
bonds (distance) P-C4' energy: -95.317
flat angles C4'-P-C4' energy: -104.237
flat angles P-C4'-P energy: -51.982
tors. eta vs tors. theta energy: -112.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1277.409076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.409076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.409076 (E_RNA)
where:
Base-Base interactions energy: -843.830
where: short stacking energy: -356.752
Base-Backbone interact. energy: -2.186
local terms energy: -431.392236
where:
bonds (distance) C4'-P energy: -83.661
bonds (distance) P-C4' energy: -106.640
flat angles C4'-P-C4' energy: -106.952
flat angles P-C4'-P energy: -52.964
tors. eta vs tors. theta energy: -81.174
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: 221
Temperature: 1.250000
Total energy: -1226.993776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.993776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.993776 (E_RNA)
where:
Base-Base interactions energy: -851.033
where: short stacking energy: -351.231
Base-Backbone interact. energy: -0.764
local terms energy: -375.196753
where:
bonds (distance) C4'-P energy: -86.220
bonds (distance) P-C4' energy: -74.942
flat angles C4'-P-C4' energy: -89.487
flat angles P-C4'-P energy: -58.091
tors. eta vs tors. theta energy: -66.455
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: 221
Temperature: 1.300000
Total energy: -866.816478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.816478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.816478 (E_RNA)
where:
Base-Base interactions energy: -523.299
where: short stacking energy: -261.098
Base-Backbone interact. energy: 1.331
local terms energy: -344.848593
where:
bonds (distance) C4'-P energy: -62.207
bonds (distance) P-C4' energy: -99.127
flat angles C4'-P-C4' energy: -91.053
flat angles P-C4'-P energy: -56.508
tors. eta vs tors. theta energy: -35.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -555.153694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.153694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.153694 (E_RNA)
where:
Base-Base interactions energy: -267.455
where: short stacking energy: -148.588
Base-Backbone interact. energy: 1.091
local terms energy: -288.789671
where:
bonds (distance) C4'-P energy: -102.316
bonds (distance) P-C4' energy: -94.901
flat angles C4'-P-C4' energy: -64.615
flat angles P-C4'-P energy: -38.381
tors. eta vs tors. theta energy: 11.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1900.979399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.979399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.979399 (E_RNA)
where:
Base-Base interactions energy: -1292.868
where: short stacking energy: -578.050
Base-Backbone interact. energy: -3.651
local terms energy: -604.460731
where:
bonds (distance) C4'-P energy: -110.564
bonds (distance) P-C4' energy: -109.989
flat angles C4'-P-C4' energy: -128.238
flat angles P-C4'-P energy: -81.952
tors. eta vs tors. theta energy: -173.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1857.346045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.346045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.346045 (E_RNA)
where:
Base-Base interactions energy: -1258.414
where: short stacking energy: -542.651
Base-Backbone interact. energy: -1.891
local terms energy: -597.040774
where:
bonds (distance) C4'-P energy: -99.632
bonds (distance) P-C4' energy: -126.742
flat angles C4'-P-C4' energy: -122.514
flat angles P-C4'-P energy: -79.666
tors. eta vs tors. theta energy: -168.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1730.996701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.996701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.996701 (E_RNA)
where:
Base-Base interactions energy: -1171.351
where: short stacking energy: -513.224
Base-Backbone interact. energy: -0.275
local terms energy: -559.371133
where:
bonds (distance) C4'-P energy: -95.707
bonds (distance) P-C4' energy: -100.698
flat angles C4'-P-C4' energy: -118.416
flat angles P-C4'-P energy: -87.474
tors. eta vs tors. theta energy: -157.076
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: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1637.334313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.334313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.334313 (E_RNA)
where:
Base-Base interactions energy: -1112.169
where: short stacking energy: -490.893
Base-Backbone interact. energy: -1.310
local terms energy: -523.854802
where:
bonds (distance) C4'-P energy: -92.727
bonds (distance) P-C4' energy: -105.392
flat angles C4'-P-C4' energy: -111.322
flat angles P-C4'-P energy: -70.149
tors. eta vs tors. theta energy: -144.264
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: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1601.178865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.178865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.178865 (E_RNA)
where:
Base-Base interactions energy: -1115.521
where: short stacking energy: -463.889
Base-Backbone interact. energy: 4.103
local terms energy: -489.760195
where:
bonds (distance) C4'-P energy: -105.225
bonds (distance) P-C4' energy: -98.906
flat angles C4'-P-C4' energy: -116.368
flat angles P-C4'-P energy: -51.610
tors. eta vs tors. theta energy: -117.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1455.593101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.593101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.593101 (E_RNA)
where:
Base-Base interactions energy: -984.329
where: short stacking energy: -423.333
Base-Backbone interact. energy: 0.242
local terms energy: -471.505545
where:
bonds (distance) C4'-P energy: -105.321
bonds (distance) P-C4' energy: -105.335
flat angles C4'-P-C4' energy: -90.512
flat angles P-C4'-P energy: -57.333
tors. eta vs tors. theta energy: -113.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1310.825925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.825925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.825925 (E_RNA)
where:
Base-Base interactions energy: -889.520
where: short stacking energy: -384.206
Base-Backbone interact. energy: 0.945
local terms energy: -422.250934
where:
bonds (distance) C4'-P energy: -89.092
bonds (distance) P-C4' energy: -88.834
flat angles C4'-P-C4' energy: -90.524
flat angles P-C4'-P energy: -68.958
tors. eta vs tors. theta energy: -84.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1214.909551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.909551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.909551 (E_RNA)
where:
Base-Base interactions energy: -800.029
where: short stacking energy: -333.793
Base-Backbone interact. energy: -5.189
local terms energy: -409.691775
where:
bonds (distance) C4'-P energy: -93.028
bonds (distance) P-C4' energy: -92.544
flat angles C4'-P-C4' energy: -77.929
flat angles P-C4'-P energy: -61.512
tors. eta vs tors. theta energy: -84.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1009.187437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.187437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.187437 (E_RNA)
where:
Base-Base interactions energy: -624.450
where: short stacking energy: -305.694
Base-Backbone interact. energy: 0.277
local terms energy: -385.013937
where:
bonds (distance) C4'-P energy: -96.012
bonds (distance) P-C4' energy: -90.483
flat angles C4'-P-C4' energy: -90.866
flat angles P-C4'-P energy: -47.803
tors. eta vs tors. theta energy: -59.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -560.714544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.714544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.714544 (E_RNA)
where:
Base-Base interactions energy: -269.293
where: short stacking energy: -154.800
Base-Backbone interact. energy: 2.146
local terms energy: -293.568272
where:
bonds (distance) C4'-P energy: -83.271
bonds (distance) P-C4' energy: -96.645
flat angles C4'-P-C4' energy: -71.754
flat angles P-C4'-P energy: -42.630
tors. eta vs tors. theta energy: 0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1909.676446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.676446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.676446 (E_RNA)
where:
Base-Base interactions energy: -1307.378
where: short stacking energy: -577.449
Base-Backbone interact. energy: -3.956
local terms energy: -598.341878
where:
bonds (distance) C4'-P energy: -113.925
bonds (distance) P-C4' energy: -100.757
flat angles C4'-P-C4' energy: -127.226
flat angles P-C4'-P energy: -90.370
tors. eta vs tors. theta energy: -166.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1847.621053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.621053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.621053 (E_RNA)
where:
Base-Base interactions energy: -1275.115
where: short stacking energy: -567.080
Base-Backbone interact. energy: -3.627
local terms energy: -568.878791
where:
bonds (distance) C4'-P energy: -98.474
bonds (distance) P-C4' energy: -107.386
flat angles C4'-P-C4' energy: -117.069
flat angles P-C4'-P energy: -86.473
tors. eta vs tors. theta energy: -159.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1707.991679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.991679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.991679 (E_RNA)
where:
Base-Base interactions energy: -1148.541
where: short stacking energy: -484.697
Base-Backbone interact. energy: -0.723
local terms energy: -558.727839
where:
bonds (distance) C4'-P energy: -114.444
bonds (distance) P-C4' energy: -110.534
flat angles C4'-P-C4' energy: -123.824
flat angles P-C4'-P energy: -68.657
tors. eta vs tors. theta energy: -141.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1650.888942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.888942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.888942 (E_RNA)
where:
Base-Base interactions energy: -1146.755
where: short stacking energy: -490.913
Base-Backbone interact. energy: -1.624
local terms energy: -502.509748
where:
bonds (distance) C4'-P energy: -90.718
bonds (distance) P-C4' energy: -92.265
flat angles C4'-P-C4' energy: -111.247
flat angles P-C4'-P energy: -76.556
tors. eta vs tors. theta energy: -131.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1591.603930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.603930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.603930 (E_RNA)
where:
Base-Base interactions energy: -1075.745
where: short stacking energy: -458.834
Base-Backbone interact. energy: -0.294
local terms energy: -515.564934
where:
bonds (distance) C4'-P energy: -94.059
bonds (distance) P-C4' energy: -102.725
flat angles C4'-P-C4' energy: -113.254
flat angles P-C4'-P energy: -60.266
tors. eta vs tors. theta energy: -145.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1465.842809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.842809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.842809 (E_RNA)
where:
Base-Base interactions energy: -981.034
where: short stacking energy: -409.738
Base-Backbone interact. energy: -1.133
local terms energy: -483.675247
where:
bonds (distance) C4'-P energy: -92.517
bonds (distance) P-C4' energy: -100.341
flat angles C4'-P-C4' energy: -108.080
flat angles P-C4'-P energy: -71.315
tors. eta vs tors. theta energy: -111.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1292.486504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.486504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.486504 (E_RNA)
where:
Base-Base interactions energy: -852.535
where: short stacking energy: -352.389
Base-Backbone interact. energy: -2.172
local terms energy: -437.779741
where:
bonds (distance) C4'-P energy: -91.480
bonds (distance) P-C4' energy: -88.470
flat angles C4'-P-C4' energy: -102.903
flat angles P-C4'-P energy: -65.038
tors. eta vs tors. theta energy: -89.888
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: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1175.987547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.987547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.987547 (E_RNA)
where:
Base-Base interactions energy: -756.344
where: short stacking energy: -351.192
Base-Backbone interact. energy: -1.016
local terms energy: -418.628245
where:
bonds (distance) C4'-P energy: -92.540
bonds (distance) P-C4' energy: -85.011
flat angles C4'-P-C4' energy: -85.592
flat angles P-C4'-P energy: -81.763
tors. eta vs tors. theta energy: -73.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -985.851099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.851099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.851099 (E_RNA)
where:
Base-Base interactions energy: -609.772
where: short stacking energy: -285.329
Base-Backbone interact. energy: -0.233
local terms energy: -375.846879
where:
bonds (distance) C4'-P energy: -78.062
bonds (distance) P-C4' energy: -97.508
flat angles C4'-P-C4' energy: -90.385
flat angles P-C4'-P energy: -46.097
tors. eta vs tors. theta energy: -63.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -541.195588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.195588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.195588 (E_RNA)
where:
Base-Base interactions energy: -264.432
where: short stacking energy: -143.506
Base-Backbone interact. energy: -3.635
local terms energy: -273.128409
where:
bonds (distance) C4'-P energy: -88.982
bonds (distance) P-C4' energy: -81.771
flat angles C4'-P-C4' energy: -68.280
flat angles P-C4'-P energy: -48.960
tors. eta vs tors. theta energy: 14.865
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: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1902.804053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.804053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.804053 (E_RNA)
where:
Base-Base interactions energy: -1306.844
where: short stacking energy: -567.529
Base-Backbone interact. energy: -1.326
local terms energy: -594.633776
where:
bonds (distance) C4'-P energy: -113.075
bonds (distance) P-C4' energy: -100.939
flat angles C4'-P-C4' energy: -130.425
flat angles P-C4'-P energy: -88.643
tors. eta vs tors. theta energy: -161.551
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: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1869.536422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.536422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.536422 (E_RNA)
where:
Base-Base interactions energy: -1274.922
where: short stacking energy: -557.725
Base-Backbone interact. energy: -3.918
local terms energy: -590.696274
where:
bonds (distance) C4'-P energy: -102.028
bonds (distance) P-C4' energy: -107.608
flat angles C4'-P-C4' energy: -126.453
flat angles P-C4'-P energy: -82.723
tors. eta vs tors. theta energy: -171.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1705.151969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.151969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.151969 (E_RNA)
where:
Base-Base interactions energy: -1178.020
where: short stacking energy: -495.170
Base-Backbone interact. energy: -4.174
local terms energy: -522.957851
where:
bonds (distance) C4'-P energy: -96.106
bonds (distance) P-C4' energy: -94.480
flat angles C4'-P-C4' energy: -115.803
flat angles P-C4'-P energy: -70.421
tors. eta vs tors. theta energy: -146.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1645.928830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.928830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.928830 (E_RNA)
where:
Base-Base interactions energy: -1131.324
where: short stacking energy: -457.525
Base-Backbone interact. energy: -5.044
local terms energy: -509.561376
where:
bonds (distance) C4'-P energy: -110.676
bonds (distance) P-C4' energy: -94.338
flat angles C4'-P-C4' energy: -103.954
flat angles P-C4'-P energy: -73.886
tors. eta vs tors. theta energy: -126.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1596.918945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.918945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.918945 (E_RNA)
where:
Base-Base interactions energy: -1076.520
where: short stacking energy: -469.433
Base-Backbone interact. energy: -1.766
local terms energy: -518.632988
where:
bonds (distance) C4'-P energy: -108.539
bonds (distance) P-C4' energy: -93.809
flat angles C4'-P-C4' energy: -107.133
flat angles P-C4'-P energy: -70.722
tors. eta vs tors. theta energy: -138.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1487.985100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.985100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.985100 (E_RNA)
where:
Base-Base interactions energy: -1029.453
where: short stacking energy: -430.012
Base-Backbone interact. energy: 2.824
local terms energy: -461.355385
where:
bonds (distance) C4'-P energy: -94.364
bonds (distance) P-C4' energy: -93.540
flat angles C4'-P-C4' energy: -107.826
flat angles P-C4'-P energy: -57.736
tors. eta vs tors. theta energy: -107.889
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: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1278.114481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.114481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.114481 (E_RNA)
where:
Base-Base interactions energy: -840.259
where: short stacking energy: -347.799
Base-Backbone interact. energy: 5.150
local terms energy: -443.005554
where:
bonds (distance) C4'-P energy: -101.459
bonds (distance) P-C4' energy: -84.679
flat angles C4'-P-C4' energy: -107.498
flat angles P-C4'-P energy: -62.683
tors. eta vs tors. theta energy: -86.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1152.326284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.326284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.326284 (E_RNA)
where:
Base-Base interactions energy: -756.241
where: short stacking energy: -311.802
Base-Backbone interact. energy: -1.389
local terms energy: -394.696822
where:
bonds (distance) C4'-P energy: -83.315
bonds (distance) P-C4' energy: -97.940
flat angles C4'-P-C4' energy: -93.358
flat angles P-C4'-P energy: -65.672
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: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -997.479874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.479874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.479874 (E_RNA)
where:
Base-Base interactions energy: -626.562
where: short stacking energy: -306.029
Base-Backbone interact. energy: 0.063
local terms energy: -370.980360
where:
bonds (distance) C4'-P energy: -85.002
bonds (distance) P-C4' energy: -69.652
flat angles C4'-P-C4' energy: -100.139
flat angles P-C4'-P energy: -56.404
tors. eta vs tors. theta energy: -59.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -574.558197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.558197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.558197 (E_RNA)
where:
Base-Base interactions energy: -291.819
where: short stacking energy: -162.520
Base-Backbone interact. energy: 2.065
local terms energy: -284.804497
where:
bonds (distance) C4'-P energy: -87.548
bonds (distance) P-C4' energy: -92.618
flat angles C4'-P-C4' energy: -62.469
flat angles P-C4'-P energy: -46.294
tors. eta vs tors. theta energy: 4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1892.170889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.170889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.170889 (E_RNA)
where:
Base-Base interactions energy: -1316.837
where: short stacking energy: -575.449
Base-Backbone interact. energy: -3.506
local terms energy: -571.827842
where:
bonds (distance) C4'-P energy: -94.567
bonds (distance) P-C4' energy: -91.933
flat angles C4'-P-C4' energy: -126.878
flat angles P-C4'-P energy: -89.783
tors. eta vs tors. theta energy: -168.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1852.772623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.772623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.772623 (E_RNA)
where:
Base-Base interactions energy: -1265.530
where: short stacking energy: -578.699
Base-Backbone interact. energy: -0.976
local terms energy: -586.266942
where:
bonds (distance) C4'-P energy: -96.974
bonds (distance) P-C4' energy: -102.782
flat angles C4'-P-C4' energy: -125.537
flat angles P-C4'-P energy: -86.937
tors. eta vs tors. theta energy: -174.037
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: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1699.202304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.202304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.202304 (E_RNA)
where:
Base-Base interactions energy: -1167.858
where: short stacking energy: -506.877
Base-Backbone interact. energy: -3.967
local terms energy: -527.377432
where:
bonds (distance) C4'-P energy: -96.971
bonds (distance) P-C4' energy: -102.813
flat angles C4'-P-C4' energy: -118.000
flat angles P-C4'-P energy: -63.463
tors. eta vs tors. theta energy: -146.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1692.777550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.777550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.777550 (E_RNA)
where:
Base-Base interactions energy: -1168.446
where: short stacking energy: -485.376
Base-Backbone interact. energy: -2.947
local terms energy: -521.384837
where:
bonds (distance) C4'-P energy: -91.885
bonds (distance) P-C4' energy: -102.462
flat angles C4'-P-C4' energy: -112.873
flat angles P-C4'-P energy: -76.873
tors. eta vs tors. theta energy: -137.292
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: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1606.276226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.276226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.276226 (E_RNA)
where:
Base-Base interactions energy: -1074.574
where: short stacking energy: -450.288
Base-Backbone interact. energy: -2.520
local terms energy: -529.181860
where:
bonds (distance) C4'-P energy: -97.964
bonds (distance) P-C4' energy: -111.988
flat angles C4'-P-C4' energy: -114.246
flat angles P-C4'-P energy: -73.842
tors. eta vs tors. theta energy: -131.141
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: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1443.714997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.714997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.714997 (E_RNA)
where:
Base-Base interactions energy: -1006.170
where: short stacking energy: -410.809
Base-Backbone interact. energy: -0.469
local terms energy: -437.076164
where:
bonds (distance) C4'-P energy: -75.957
bonds (distance) P-C4' energy: -101.426
flat angles C4'-P-C4' energy: -105.187
flat angles P-C4'-P energy: -61.147
tors. eta vs tors. theta energy: -93.360
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: 7, replica: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1304.035919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.035919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.035919 (E_RNA)
where:
Base-Base interactions energy: -850.718
where: short stacking energy: -379.277
Base-Backbone interact. energy: -0.958
local terms energy: -452.359886
where:
bonds (distance) C4'-P energy: -88.929
bonds (distance) P-C4' energy: -111.276
flat angles C4'-P-C4' energy: -99.477
flat angles P-C4'-P energy: -62.181
tors. eta vs tors. theta energy: -90.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1153.562127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.562127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.562127 (E_RNA)
where:
Base-Base interactions energy: -730.812
where: short stacking energy: -343.550
Base-Backbone interact. energy: -0.350
local terms energy: -422.400495
where:
bonds (distance) C4'-P energy: -75.047
bonds (distance) P-C4' energy: -94.524
flat angles C4'-P-C4' energy: -106.292
flat angles P-C4'-P energy: -60.540
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: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -932.163654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.163654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.163654 (E_RNA)
where:
Base-Base interactions energy: -559.043
where: short stacking energy: -254.920
Base-Backbone interact. energy: -0.426
local terms energy: -372.694798
where:
bonds (distance) C4'-P energy: -94.259
bonds (distance) P-C4' energy: -90.052
flat angles C4'-P-C4' energy: -93.530
flat angles P-C4'-P energy: -64.123
tors. eta vs tors. theta energy: -30.731
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: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -573.014182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.014182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.014182 (E_RNA)
where:
Base-Base interactions energy: -277.176
where: short stacking energy: -148.750
Base-Backbone interact. energy: 2.929
local terms energy: -298.766985
where:
bonds (distance) C4'-P energy: -84.442
bonds (distance) P-C4' energy: -90.898
flat angles C4'-P-C4' energy: -72.206
flat angles P-C4'-P energy: -48.841
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1907.780291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.780291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.780291 (E_RNA)
where:
Base-Base interactions energy: -1291.831
where: short stacking energy: -587.741
Base-Backbone interact. energy: -2.435
local terms energy: -613.514781
where:
bonds (distance) C4'-P energy: -123.482
bonds (distance) P-C4' energy: -104.114
flat angles C4'-P-C4' energy: -118.620
flat angles P-C4'-P energy: -87.774
tors. eta vs tors. theta energy: -179.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1871.533666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.533666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.533666 (E_RNA)
where:
Base-Base interactions energy: -1275.571
where: short stacking energy: -568.720
Base-Backbone interact. energy: -3.537
local terms energy: -592.425442
where:
bonds (distance) C4'-P energy: -104.768
bonds (distance) P-C4' energy: -112.229
flat angles C4'-P-C4' energy: -129.673
flat angles P-C4'-P energy: -82.913
tors. eta vs tors. theta energy: -162.842
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: 226
Temperature: 1.000000
Total energy: -1724.667578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.667578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.667578 (E_RNA)
where:
Base-Base interactions energy: -1160.688
where: short stacking energy: -498.654
Base-Backbone interact. energy: -4.731
local terms energy: -559.249192
where:
bonds (distance) C4'-P energy: -98.380
bonds (distance) P-C4' energy: -111.191
flat angles C4'-P-C4' energy: -126.181
flat angles P-C4'-P energy: -79.834
tors. eta vs tors. theta energy: -143.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1624.997280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.997280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.997280 (E_RNA)
where:
Base-Base interactions energy: -1108.541
where: short stacking energy: -456.931
Base-Backbone interact. energy: -1.641
local terms energy: -514.814639
where:
bonds (distance) C4'-P energy: -98.617
bonds (distance) P-C4' energy: -109.267
flat angles C4'-P-C4' energy: -107.304
flat angles P-C4'-P energy: -66.259
tors. eta vs tors. theta energy: -133.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1593.877291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.877291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.877291 (E_RNA)
where:
Base-Base interactions energy: -1062.930
where: short stacking energy: -468.579
Base-Backbone interact. energy: -1.952
local terms energy: -528.995285
where:
bonds (distance) C4'-P energy: -101.701
bonds (distance) P-C4' energy: -102.100
flat angles C4'-P-C4' energy: -120.191
flat angles P-C4'-P energy: -71.604
tors. eta vs tors. theta energy: -133.399
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: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1473.258095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.258095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.258095 (E_RNA)
where:
Base-Base interactions energy: -1023.526
where: short stacking energy: -410.211
Base-Backbone interact. energy: 2.123
local terms energy: -451.854975
where:
bonds (distance) C4'-P energy: -94.257
bonds (distance) P-C4' energy: -97.203
flat angles C4'-P-C4' energy: -97.344
flat angles P-C4'-P energy: -56.988
tors. eta vs tors. theta energy: -106.062
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: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1284.080922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.080922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.080922 (E_RNA)
where:
Base-Base interactions energy: -867.842
where: short stacking energy: -383.435
Base-Backbone interact. energy: -0.866
local terms energy: -415.373267
where:
bonds (distance) C4'-P energy: -86.821
bonds (distance) P-C4' energy: -77.809
flat angles C4'-P-C4' energy: -93.568
flat angles P-C4'-P energy: -66.506
tors. eta vs tors. theta energy: -90.670
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: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1224.271010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.271010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.271010 (E_RNA)
where:
Base-Base interactions energy: -813.421
where: short stacking energy: -350.752
Base-Backbone interact. energy: 5.236
local terms energy: -416.085436
where:
bonds (distance) C4'-P energy: -89.384
bonds (distance) P-C4' energy: -92.459
flat angles C4'-P-C4' energy: -90.309
flat angles P-C4'-P energy: -72.711
tors. eta vs tors. theta energy: -71.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -960.459894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.459894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.459894 (E_RNA)
where:
Base-Base interactions energy: -602.998
where: short stacking energy: -268.498
Base-Backbone interact. energy: -1.419
local terms energy: -356.042724
where:
bonds (distance) C4'-P energy: -57.721
bonds (distance) P-C4' energy: -89.888
flat angles C4'-P-C4' energy: -96.079
flat angles P-C4'-P energy: -66.571
tors. eta vs tors. theta energy: -45.783
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: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -611.421942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.421942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.421942 (E_RNA)
where:
Base-Base interactions energy: -306.622
where: short stacking energy: -189.885
Base-Backbone interact. energy: 1.573
local terms energy: -306.372547
where:
bonds (distance) C4'-P energy: -82.381
bonds (distance) P-C4' energy: -94.286
flat angles C4'-P-C4' energy: -67.318
flat angles P-C4'-P energy: -47.915
tors. eta vs tors. theta energy: -14.473
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: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1900.593476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.593476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.593476 (E_RNA)
where:
Base-Base interactions energy: -1293.851
where: short stacking energy: -580.194
Base-Backbone interact. energy: -2.828
local terms energy: -603.914097
where:
bonds (distance) C4'-P energy: -99.787
bonds (distance) P-C4' energy: -106.921
flat angles C4'-P-C4' energy: -126.385
flat angles P-C4'-P energy: -91.631
tors. eta vs tors. theta energy: -179.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1862.723705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.723705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.723705 (E_RNA)
where:
Base-Base interactions energy: -1286.732
where: short stacking energy: -561.364
Base-Backbone interact. energy: 1.236
local terms energy: -577.227307
where:
bonds (distance) C4'-P energy: -103.309
bonds (distance) P-C4' energy: -111.237
flat angles C4'-P-C4' energy: -122.970
flat angles P-C4'-P energy: -84.976
tors. eta vs tors. theta energy: -154.734
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: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1712.845220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.845220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.845220 (E_RNA)
where:
Base-Base interactions energy: -1174.650
where: short stacking energy: -504.164
Base-Backbone interact. energy: 0.577
local terms energy: -538.771726
where:
bonds (distance) C4'-P energy: -96.599
bonds (distance) P-C4' energy: -106.542
flat angles C4'-P-C4' energy: -118.695
flat angles P-C4'-P energy: -72.236
tors. eta vs tors. theta energy: -144.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1620.678214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.678214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.678214 (E_RNA)
where:
Base-Base interactions energy: -1089.369
where: short stacking energy: -478.452
Base-Backbone interact. energy: -1.673
local terms energy: -529.636011
where:
bonds (distance) C4'-P energy: -104.931
bonds (distance) P-C4' energy: -103.550
flat angles C4'-P-C4' energy: -119.181
flat angles P-C4'-P energy: -74.736
tors. eta vs tors. theta energy: -127.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1552.032665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.032665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.032665 (E_RNA)
where:
Base-Base interactions energy: -1067.755
where: short stacking energy: -427.696
Base-Backbone interact. energy: 0.352
local terms energy: -484.629549
where:
bonds (distance) C4'-P energy: -81.476
bonds (distance) P-C4' energy: -101.048
flat angles C4'-P-C4' energy: -119.177
flat angles P-C4'-P energy: -66.691
tors. eta vs tors. theta energy: -116.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1500.328215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.328215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.328215 (E_RNA)
where:
Base-Base interactions energy: -1019.560
where: short stacking energy: -416.246
Base-Backbone interact. energy: -2.457
local terms energy: -478.310920
where:
bonds (distance) C4'-P energy: -86.665
bonds (distance) P-C4' energy: -102.609
flat angles C4'-P-C4' energy: -93.441
flat angles P-C4'-P energy: -73.756
tors. eta vs tors. theta energy: -121.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1343.463610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.463610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.463610 (E_RNA)
where:
Base-Base interactions energy: -872.647
where: short stacking energy: -388.230
Base-Backbone interact. energy: -0.190
local terms energy: -470.626081
where:
bonds (distance) C4'-P energy: -92.971
bonds (distance) P-C4' energy: -91.152
flat angles C4'-P-C4' energy: -119.610
flat angles P-C4'-P energy: -73.569
tors. eta vs tors. theta energy: -93.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1213.309257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.309257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.309257 (E_RNA)
where:
Base-Base interactions energy: -823.669
where: short stacking energy: -357.306
Base-Backbone interact. energy: -0.920
local terms energy: -388.720053
where:
bonds (distance) C4'-P energy: -84.537
bonds (distance) P-C4' energy: -87.154
flat angles C4'-P-C4' energy: -79.143
flat angles P-C4'-P energy: -52.449
tors. eta vs tors. theta energy: -85.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -900.273609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.273609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.273609 (E_RNA)
where:
Base-Base interactions energy: -535.734
where: short stacking energy: -243.974
Base-Backbone interact. energy: -2.723
local terms energy: -361.815944
where:
bonds (distance) C4'-P energy: -92.480
bonds (distance) P-C4' energy: -100.645
flat angles C4'-P-C4' energy: -89.856
flat angles P-C4'-P energy: -43.731
tors. eta vs tors. theta energy: -35.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -602.520674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.520674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.520674 (E_RNA)
where:
Base-Base interactions energy: -296.956
where: short stacking energy: -171.675
Base-Backbone interact. energy: 1.385
local terms energy: -306.949673
where:
bonds (distance) C4'-P energy: -91.456
bonds (distance) P-C4' energy: -97.670
flat angles C4'-P-C4' energy: -77.659
flat angles P-C4'-P energy: -43.678
tors. eta vs tors. theta energy: 3.514
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: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1901.059629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.059629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.059629 (E_RNA)
where:
Base-Base interactions energy: -1307.347
where: short stacking energy: -566.598
Base-Backbone interact. energy: -2.322
local terms energy: -591.389926
where:
bonds (distance) C4'-P energy: -110.531
bonds (distance) P-C4' energy: -107.860
flat angles C4'-P-C4' energy: -123.187
flat angles P-C4'-P energy: -85.192
tors. eta vs tors. theta energy: -164.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1865.262873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.262873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.262873 (E_RNA)
where:
Base-Base interactions energy: -1300.317
where: short stacking energy: -586.871
Base-Backbone interact. energy: 1.388
local terms energy: -566.333955
where:
bonds (distance) C4'-P energy: -98.153
bonds (distance) P-C4' energy: -101.209
flat angles C4'-P-C4' energy: -117.291
flat angles P-C4'-P energy: -76.758
tors. eta vs tors. theta energy: -172.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1721.729627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.729627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.729627 (E_RNA)
where:
Base-Base interactions energy: -1173.389
where: short stacking energy: -525.077
Base-Backbone interact. energy: -1.409
local terms energy: -546.931743
where:
bonds (distance) C4'-P energy: -100.222
bonds (distance) P-C4' energy: -100.295
flat angles C4'-P-C4' energy: -114.452
flat angles P-C4'-P energy: -86.177
tors. eta vs tors. theta energy: -145.785
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: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1645.954499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.954499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.954499 (E_RNA)
where:
Base-Base interactions energy: -1121.079
where: short stacking energy: -464.828
Base-Backbone interact. energy: -0.486
local terms energy: -524.388654
where:
bonds (distance) C4'-P energy: -93.075
bonds (distance) P-C4' energy: -107.910
flat angles C4'-P-C4' energy: -111.877
flat angles P-C4'-P energy: -74.941
tors. eta vs tors. theta energy: -136.585
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: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1564.999561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.999561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.999561 (E_RNA)
where:
Base-Base interactions energy: -1042.934
where: short stacking energy: -432.008
Base-Backbone interact. energy: -2.503
local terms energy: -519.562988
where:
bonds (distance) C4'-P energy: -98.997
bonds (distance) P-C4' energy: -96.765
flat angles C4'-P-C4' energy: -121.820
flat angles P-C4'-P energy: -65.874
tors. eta vs tors. theta energy: -136.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1507.641348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.641348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.641348 (E_RNA)
where:
Base-Base interactions energy: -1050.171
where: short stacking energy: -427.615
Base-Backbone interact. energy: -3.048
local terms energy: -454.422189
where:
bonds (distance) C4'-P energy: -74.304
bonds (distance) P-C4' energy: -88.772
flat angles C4'-P-C4' energy: -103.201
flat angles P-C4'-P energy: -79.018
tors. eta vs tors. theta energy: -109.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1335.468499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.468499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.468499 (E_RNA)
where:
Base-Base interactions energy: -902.516
where: short stacking energy: -393.444
Base-Backbone interact. energy: 0.751
local terms energy: -433.703964
where:
bonds (distance) C4'-P energy: -73.367
bonds (distance) P-C4' energy: -100.140
flat angles C4'-P-C4' energy: -80.032
flat angles P-C4'-P energy: -74.115
tors. eta vs tors. theta energy: -106.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1199.469216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.469216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.469216 (E_RNA)
where:
Base-Base interactions energy: -783.690
where: short stacking energy: -352.494
Base-Backbone interact. energy: -0.912
local terms energy: -414.867202
where:
bonds (distance) C4'-P energy: -90.167
bonds (distance) P-C4' energy: -87.319
flat angles C4'-P-C4' energy: -99.552
flat angles P-C4'-P energy: -65.584
tors. eta vs tors. theta energy: -72.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -959.499585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.499585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.499585 (E_RNA)
where:
Base-Base interactions energy: -583.943
where: short stacking energy: -296.986
Base-Backbone interact. energy: -0.607
local terms energy: -374.948799
where:
bonds (distance) C4'-P energy: -88.545
bonds (distance) P-C4' energy: -105.503
flat angles C4'-P-C4' energy: -82.583
flat angles P-C4'-P energy: -51.059
tors. eta vs tors. theta energy: -47.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -590.208220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.208220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.208220 (E_RNA)
where:
Base-Base interactions energy: -292.251
where: short stacking energy: -160.049
Base-Backbone interact. energy: -0.543
local terms energy: -297.413743
where:
bonds (distance) C4'-P energy: -78.306
bonds (distance) P-C4' energy: -106.662
flat angles C4'-P-C4' energy: -74.175
flat angles P-C4'-P energy: -39.283
tors. eta vs tors. theta energy: 1.013
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: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1907.551589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.551589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.551589 (E_RNA)
where:
Base-Base interactions energy: -1324.025
where: short stacking energy: -570.602
Base-Backbone interact. energy: -1.441
local terms energy: -582.085548
where:
bonds (distance) C4'-P energy: -101.016
bonds (distance) P-C4' energy: -105.693
flat angles C4'-P-C4' energy: -112.618
flat angles P-C4'-P energy: -91.671
tors. eta vs tors. theta energy: -171.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1833.005182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.005182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.005182 (E_RNA)
where:
Base-Base interactions energy: -1255.673
where: short stacking energy: -547.030
Base-Backbone interact. energy: -3.476
local terms energy: -573.856526
where:
bonds (distance) C4'-P energy: -104.736
bonds (distance) P-C4' energy: -98.013
flat angles C4'-P-C4' energy: -125.713
flat angles P-C4'-P energy: -83.675
tors. eta vs tors. theta energy: -161.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1747.008301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.008301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.008301 (E_RNA)
where:
Base-Base interactions energy: -1183.963
where: short stacking energy: -507.043
Base-Backbone interact. energy: -0.732
local terms energy: -562.313131
where:
bonds (distance) C4'-P energy: -113.591
bonds (distance) P-C4' energy: -94.188
flat angles C4'-P-C4' energy: -120.165
flat angles P-C4'-P energy: -80.986
tors. eta vs tors. theta energy: -153.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1699.927127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.927127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.927127 (E_RNA)
where:
Base-Base interactions energy: -1158.955
where: short stacking energy: -499.413
Base-Backbone interact. energy: -1.010
local terms energy: -539.961382
where:
bonds (distance) C4'-P energy: -105.757
bonds (distance) P-C4' energy: -99.211
flat angles C4'-P-C4' energy: -108.516
flat angles P-C4'-P energy: -84.388
tors. eta vs tors. theta energy: -142.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1583.903437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.903437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.903437 (E_RNA)
where:
Base-Base interactions energy: -1083.389
where: short stacking energy: -459.649
Base-Backbone interact. energy: -3.125
local terms energy: -497.389538
where:
bonds (distance) C4'-P energy: -94.464
bonds (distance) P-C4' energy: -88.417
flat angles C4'-P-C4' energy: -110.100
flat angles P-C4'-P energy: -74.506
tors. eta vs tors. theta energy: -129.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1516.145712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.145712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.145712 (E_RNA)
where:
Base-Base interactions energy: -1034.814
where: short stacking energy: -433.450
Base-Backbone interact. energy: -3.770
local terms energy: -477.562621
where:
bonds (distance) C4'-P energy: -92.689
bonds (distance) P-C4' energy: -98.430
flat angles C4'-P-C4' energy: -102.294
flat angles P-C4'-P energy: -79.012
tors. eta vs tors. theta energy: -105.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1356.311032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.311032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.311032 (E_RNA)
where:
Base-Base interactions energy: -877.246
where: short stacking energy: -342.452
Base-Backbone interact. energy: -1.775
local terms energy: -477.289936
where:
bonds (distance) C4'-P energy: -91.445
bonds (distance) P-C4' energy: -112.976
flat angles C4'-P-C4' energy: -104.589
flat angles P-C4'-P energy: -69.565
tors. eta vs tors. theta energy: -98.715
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: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1183.508354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.508354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.508354 (E_RNA)
where:
Base-Base interactions energy: -807.907
where: short stacking energy: -339.039
Base-Backbone interact. energy: -3.675
local terms energy: -371.926799
where:
bonds (distance) C4'-P energy: -93.015
bonds (distance) P-C4' energy: -68.966
flat angles C4'-P-C4' energy: -85.951
flat angles P-C4'-P energy: -60.864
tors. eta vs tors. theta energy: -63.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -983.326389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.326389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.326389 (E_RNA)
where:
Base-Base interactions energy: -621.344
where: short stacking energy: -283.004
Base-Backbone interact. energy: 2.575
local terms energy: -364.556491
where:
bonds (distance) C4'-P energy: -82.669
bonds (distance) P-C4' energy: -84.596
flat angles C4'-P-C4' energy: -90.726
flat angles P-C4'-P energy: -57.019
tors. eta vs tors. theta energy: -49.547
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: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -621.796969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.796969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.796969 (E_RNA)
where:
Base-Base interactions energy: -311.101
where: short stacking energy: -199.594
Base-Backbone interact. energy: 2.167
local terms energy: -312.862754
where:
bonds (distance) C4'-P energy: -80.416
bonds (distance) P-C4' energy: -98.224
flat angles C4'-P-C4' energy: -80.276
flat angles P-C4'-P energy: -50.498
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1900.582963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.582963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.582963 (E_RNA)
where:
Base-Base interactions energy: -1296.186
where: short stacking energy: -569.858
Base-Backbone interact. energy: -3.349
local terms energy: -601.047497
where:
bonds (distance) C4'-P energy: -116.539
bonds (distance) P-C4' energy: -103.538
flat angles C4'-P-C4' energy: -123.929
flat angles P-C4'-P energy: -89.253
tors. eta vs tors. theta energy: -167.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1851.578184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.578184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.578184 (E_RNA)
where:
Base-Base interactions energy: -1261.672
where: short stacking energy: -555.391
Base-Backbone interact. energy: -4.017
local terms energy: -585.889449
where:
bonds (distance) C4'-P energy: -105.983
bonds (distance) P-C4' energy: -99.779
flat angles C4'-P-C4' energy: -119.719
flat angles P-C4'-P energy: -84.670
tors. eta vs tors. theta energy: -175.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1723.995601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.995601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.995601 (E_RNA)
where:
Base-Base interactions energy: -1191.894
where: short stacking energy: -492.398
Base-Backbone interact. energy: -0.608
local terms energy: -531.493204
where:
bonds (distance) C4'-P energy: -105.591
bonds (distance) P-C4' energy: -101.620
flat angles C4'-P-C4' energy: -106.265
flat angles P-C4'-P energy: -77.485
tors. eta vs tors. theta energy: -140.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1648.966906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.966906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.966906 (E_RNA)
where:
Base-Base interactions energy: -1155.900
where: short stacking energy: -517.803
Base-Backbone interact. energy: -0.892
local terms energy: -492.175149
where:
bonds (distance) C4'-P energy: -93.547
bonds (distance) P-C4' energy: -91.055
flat angles C4'-P-C4' energy: -105.472
flat angles P-C4'-P energy: -58.806
tors. eta vs tors. theta energy: -143.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1538.390925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.390925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.390925 (E_RNA)
where:
Base-Base interactions energy: -1043.501
where: short stacking energy: -447.159
Base-Backbone interact. energy: -1.228
local terms energy: -493.662032
where:
bonds (distance) C4'-P energy: -91.578
bonds (distance) P-C4' energy: -99.173
flat angles C4'-P-C4' energy: -101.403
flat angles P-C4'-P energy: -77.000
tors. eta vs tors. theta energy: -124.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1428.034616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.034616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.034616 (E_RNA)
where:
Base-Base interactions energy: -972.349
where: short stacking energy: -415.503
Base-Backbone interact. energy: 2.254
local terms energy: -457.940191
where:
bonds (distance) C4'-P energy: -83.201
bonds (distance) P-C4' energy: -103.577
flat angles C4'-P-C4' energy: -109.411
flat angles P-C4'-P energy: -60.019
tors. eta vs tors. theta energy: -101.732
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: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1309.825141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.825141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.825141 (E_RNA)
where:
Base-Base interactions energy: -880.965
where: short stacking energy: -390.690
Base-Backbone interact. energy: -1.659
local terms energy: -427.200716
where:
bonds (distance) C4'-P energy: -83.142
bonds (distance) P-C4' energy: -78.688
flat angles C4'-P-C4' energy: -107.403
flat angles P-C4'-P energy: -66.093
tors. eta vs tors. theta energy: -91.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1244.118337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.118337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.118337 (E_RNA)
where:
Base-Base interactions energy: -813.055
where: short stacking energy: -354.338
Base-Backbone interact. energy: -3.170
local terms energy: -427.892757
where:
bonds (distance) C4'-P energy: -89.086
bonds (distance) P-C4' energy: -94.936
flat angles C4'-P-C4' energy: -95.145
flat angles P-C4'-P energy: -65.499
tors. eta vs tors. theta energy: -83.227
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: 230
Temperature: 1.300000
Total energy: -1003.625203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.625203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.625203 (E_RNA)
where:
Base-Base interactions energy: -631.652
where: short stacking energy: -291.613
Base-Backbone interact. energy: -2.204
local terms energy: -369.768604
where:
bonds (distance) C4'-P energy: -97.399
bonds (distance) P-C4' energy: -78.081
flat angles C4'-P-C4' energy: -93.805
flat angles P-C4'-P energy: -50.179
tors. eta vs tors. theta energy: -50.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -524.527930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.527930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.527930 (E_RNA)
where:
Base-Base interactions energy: -242.202
where: short stacking energy: -147.837
Base-Backbone interact. energy: -1.922
local terms energy: -280.404414
where:
bonds (distance) C4'-P energy: -95.020
bonds (distance) P-C4' energy: -101.926
flat angles C4'-P-C4' energy: -59.388
flat angles P-C4'-P energy: -47.810
tors. eta vs tors. theta energy: 23.739
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: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1921.813545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.813545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.813545 (E_RNA)
where:
Base-Base interactions energy: -1331.801
where: short stacking energy: -578.837
Base-Backbone interact. energy: -0.927
local terms energy: -589.086174
where:
bonds (distance) C4'-P energy: -103.998
bonds (distance) P-C4' energy: -116.216
flat angles C4'-P-C4' energy: -121.780
flat angles P-C4'-P energy: -75.762
tors. eta vs tors. theta energy: -171.330
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: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1826.902110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.902110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.902110 (E_RNA)
where:
Base-Base interactions energy: -1231.866
where: short stacking energy: -546.535
Base-Backbone interact. energy: -2.042
local terms energy: -592.994196
where:
bonds (distance) C4'-P energy: -101.329
bonds (distance) P-C4' energy: -102.645
flat angles C4'-P-C4' energy: -119.421
flat angles P-C4'-P energy: -97.360
tors. eta vs tors. theta energy: -172.239
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: 231
Temperature: 1.000000
Total energy: -1728.748825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.748825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.748825 (E_RNA)
where:
Base-Base interactions energy: -1184.327
where: short stacking energy: -494.567
Base-Backbone interact. energy: 3.471
local terms energy: -547.893030
where:
bonds (distance) C4'-P energy: -108.181
bonds (distance) P-C4' energy: -107.503
flat angles C4'-P-C4' energy: -111.599
flat angles P-C4'-P energy: -70.198
tors. eta vs tors. theta energy: -150.413
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: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1651.765119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.765119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.765119 (E_RNA)
where:
Base-Base interactions energy: -1123.315
where: short stacking energy: -509.163
Base-Backbone interact. energy: 0.834
local terms energy: -529.284629
where:
bonds (distance) C4'-P energy: -88.401
bonds (distance) P-C4' energy: -98.476
flat angles C4'-P-C4' energy: -111.394
flat angles P-C4'-P energy: -88.707
tors. eta vs tors. theta energy: -142.307
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: 231
Temperature: 1.100000
Total energy: -1560.207157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.207157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.207157 (E_RNA)
where:
Base-Base interactions energy: -1064.614
where: short stacking energy: -427.719
Base-Backbone interact. energy: 5.557
local terms energy: -501.150423
where:
bonds (distance) C4'-P energy: -109.687
bonds (distance) P-C4' energy: -90.621
flat angles C4'-P-C4' energy: -99.500
flat angles P-C4'-P energy: -80.117
tors. eta vs tors. theta energy: -121.225
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: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1494.728793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.728793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.728793 (E_RNA)
where:
Base-Base interactions energy: -1026.327
where: short stacking energy: -452.125
Base-Backbone interact. energy: -1.962
local terms energy: -466.439409
where:
bonds (distance) C4'-P energy: -90.208
bonds (distance) P-C4' energy: -98.991
flat angles C4'-P-C4' energy: -102.974
flat angles P-C4'-P energy: -60.330
tors. eta vs tors. theta energy: -113.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1324.489844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.489844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.489844 (E_RNA)
where:
Base-Base interactions energy: -881.591
where: short stacking energy: -401.619
Base-Backbone interact. energy: -2.068
local terms energy: -440.831456
where:
bonds (distance) C4'-P energy: -82.202
bonds (distance) P-C4' energy: -90.663
flat angles C4'-P-C4' energy: -106.765
flat angles P-C4'-P energy: -60.871
tors. eta vs tors. theta energy: -100.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1250.234100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.234100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.234100 (E_RNA)
where:
Base-Base interactions energy: -825.651
where: short stacking energy: -347.395
Base-Backbone interact. energy: -0.107
local terms energy: -424.476137
where:
bonds (distance) C4'-P energy: -90.187
bonds (distance) P-C4' energy: -95.391
flat angles C4'-P-C4' energy: -88.269
flat angles P-C4'-P energy: -74.521
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: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -963.956296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.956296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.956296 (E_RNA)
where:
Base-Base interactions energy: -573.552
where: short stacking energy: -275.525
Base-Backbone interact. energy: 0.412
local terms energy: -390.815954
where:
bonds (distance) C4'-P energy: -105.642
bonds (distance) P-C4' energy: -97.877
flat angles C4'-P-C4' energy: -79.002
flat angles P-C4'-P energy: -59.910
tors. eta vs tors. theta energy: -48.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -541.376403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.376403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.376403 (E_RNA)
where:
Base-Base interactions energy: -268.095
where: short stacking energy: -161.017
Base-Backbone interact. energy: 2.671
local terms energy: -275.952063
where:
bonds (distance) C4'-P energy: -78.885
bonds (distance) P-C4' energy: -91.820
flat angles C4'-P-C4' energy: -76.517
flat angles P-C4'-P energy: -43.864
tors. eta vs tors. theta energy: 15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1936.016067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.016067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.016067 (E_RNA)
where:
Base-Base interactions energy: -1323.656
where: short stacking energy: -575.629
Base-Backbone interact. energy: -2.745
local terms energy: -609.614925
where:
bonds (distance) C4'-P energy: -107.749
bonds (distance) P-C4' energy: -119.423
flat angles C4'-P-C4' energy: -125.598
flat angles P-C4'-P energy: -87.469
tors. eta vs tors. theta energy: -169.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1849.937969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.937969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.937969 (E_RNA)
where:
Base-Base interactions energy: -1280.173
where: short stacking energy: -560.054
Base-Backbone interact. energy: -0.736
local terms energy: -569.028904
where:
bonds (distance) C4'-P energy: -101.498
bonds (distance) P-C4' energy: -106.064
flat angles C4'-P-C4' energy: -115.432
flat angles P-C4'-P energy: -77.275
tors. eta vs tors. theta energy: -168.760
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: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1726.209125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.209125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.209125 (E_RNA)
where:
Base-Base interactions energy: -1162.470
where: short stacking energy: -519.059
Base-Backbone interact. energy: -0.071
local terms energy: -563.667966
where:
bonds (distance) C4'-P energy: -99.863
bonds (distance) P-C4' energy: -111.823
flat angles C4'-P-C4' energy: -118.828
flat angles P-C4'-P energy: -82.112
tors. eta vs tors. theta energy: -151.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1665.630254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.630254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.630254 (E_RNA)
where:
Base-Base interactions energy: -1103.561
where: short stacking energy: -481.475
Base-Backbone interact. energy: -0.813
local terms energy: -561.256204
where:
bonds (distance) C4'-P energy: -106.074
bonds (distance) P-C4' energy: -111.436
flat angles C4'-P-C4' energy: -123.528
flat angles P-C4'-P energy: -79.985
tors. eta vs tors. theta energy: -140.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1522.907676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.907676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.907676 (E_RNA)
where:
Base-Base interactions energy: -1058.463
where: short stacking energy: -443.823
Base-Backbone interact. energy: 0.800
local terms energy: -465.244812
where:
bonds (distance) C4'-P energy: -88.261
bonds (distance) P-C4' energy: -100.855
flat angles C4'-P-C4' energy: -100.066
flat angles P-C4'-P energy: -61.631
tors. eta vs tors. theta energy: -114.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1514.950738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.950738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.950738 (E_RNA)
where:
Base-Base interactions energy: -1010.847
where: short stacking energy: -450.425
Base-Backbone interact. energy: -1.095
local terms energy: -503.008749
where:
bonds (distance) C4'-P energy: -85.082
bonds (distance) P-C4' energy: -103.586
flat angles C4'-P-C4' energy: -108.116
flat angles P-C4'-P energy: -83.309
tors. eta vs tors. theta energy: -122.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1299.011768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.011768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.011768 (E_RNA)
where:
Base-Base interactions energy: -891.525
where: short stacking energy: -385.993
Base-Backbone interact. energy: 0.027
local terms energy: -407.514732
where:
bonds (distance) C4'-P energy: -100.542
bonds (distance) P-C4' energy: -84.717
flat angles C4'-P-C4' energy: -82.201
flat angles P-C4'-P energy: -63.259
tors. eta vs tors. theta energy: -76.796
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: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1247.362326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.362326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.362326 (E_RNA)
where:
Base-Base interactions energy: -841.614
where: short stacking energy: -371.828
Base-Backbone interact. energy: -0.713
local terms energy: -405.035340
where:
bonds (distance) C4'-P energy: -71.805
bonds (distance) P-C4' energy: -84.791
flat angles C4'-P-C4' energy: -98.106
flat angles P-C4'-P energy: -61.514
tors. eta vs tors. theta energy: -88.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -914.017625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.017625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.017625 (E_RNA)
where:
Base-Base interactions energy: -575.797
where: short stacking energy: -273.303
Base-Backbone interact. energy: -1.827
local terms energy: -336.393456
where:
bonds (distance) C4'-P energy: -76.518
bonds (distance) P-C4' energy: -79.299
flat angles C4'-P-C4' energy: -86.504
flat angles P-C4'-P energy: -47.547
tors. eta vs tors. theta energy: -46.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -546.859400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.859400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.859400 (E_RNA)
where:
Base-Base interactions energy: -264.985
where: short stacking energy: -159.822
Base-Backbone interact. energy: -0.493
local terms energy: -281.381041
where:
bonds (distance) C4'-P energy: -64.044
bonds (distance) P-C4' energy: -86.322
flat angles C4'-P-C4' energy: -73.799
flat angles P-C4'-P energy: -55.040
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: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1911.233081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.233081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.233081 (E_RNA)
where:
Base-Base interactions energy: -1319.804
where: short stacking energy: -567.459
Base-Backbone interact. energy: -3.519
local terms energy: -587.909824
where:
bonds (distance) C4'-P energy: -106.868
bonds (distance) P-C4' energy: -107.737
flat angles C4'-P-C4' energy: -119.500
flat angles P-C4'-P energy: -86.606
tors. eta vs tors. theta energy: -167.200
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: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1821.822456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.822456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.822456 (E_RNA)
where:
Base-Base interactions energy: -1246.603
where: short stacking energy: -558.702
Base-Backbone interact. energy: 0.712
local terms energy: -575.931795
where:
bonds (distance) C4'-P energy: -105.252
bonds (distance) P-C4' energy: -111.038
flat angles C4'-P-C4' energy: -111.955
flat angles P-C4'-P energy: -90.574
tors. eta vs tors. theta energy: -157.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1730.000128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.000128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.000128 (E_RNA)
where:
Base-Base interactions energy: -1169.257
where: short stacking energy: -527.656
Base-Backbone interact. energy: -0.925
local terms energy: -559.817523
where:
bonds (distance) C4'-P energy: -95.508
bonds (distance) P-C4' energy: -112.622
flat angles C4'-P-C4' energy: -127.048
flat angles P-C4'-P energy: -78.670
tors. eta vs tors. theta energy: -145.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1692.040403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.040403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.040403 (E_RNA)
where:
Base-Base interactions energy: -1165.295
where: short stacking energy: -518.212
Base-Backbone interact. energy: -2.730
local terms energy: -524.015714
where:
bonds (distance) C4'-P energy: -92.634
bonds (distance) P-C4' energy: -105.675
flat angles C4'-P-C4' energy: -112.075
flat angles P-C4'-P energy: -62.042
tors. eta vs tors. theta energy: -151.590
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: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1541.435403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.435403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.435403 (E_RNA)
where:
Base-Base interactions energy: -1046.379
where: short stacking energy: -416.505
Base-Backbone interact. energy: -2.800
local terms energy: -492.256575
where:
bonds (distance) C4'-P energy: -99.922
bonds (distance) P-C4' energy: -109.277
flat angles C4'-P-C4' energy: -104.843
flat angles P-C4'-P energy: -63.935
tors. eta vs tors. theta energy: -114.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1474.043290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.043290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.043290 (E_RNA)
where:
Base-Base interactions energy: -1015.570
where: short stacking energy: -422.377
Base-Backbone interact. energy: -1.819
local terms energy: -456.654420
where:
bonds (distance) C4'-P energy: -94.807
bonds (distance) P-C4' energy: -85.911
flat angles C4'-P-C4' energy: -101.202
flat angles P-C4'-P energy: -62.955
tors. eta vs tors. theta energy: -111.779
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: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1307.582958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.582958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.582958 (E_RNA)
where:
Base-Base interactions energy: -850.111
where: short stacking energy: -340.362
Base-Backbone interact. energy: -2.159
local terms energy: -455.312586
where:
bonds (distance) C4'-P energy: -93.683
bonds (distance) P-C4' energy: -94.397
flat angles C4'-P-C4' energy: -106.492
flat angles P-C4'-P energy: -67.056
tors. eta vs tors. theta energy: -93.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1235.427799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.427799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.427799 (E_RNA)
where:
Base-Base interactions energy: -852.458
where: short stacking energy: -372.441
Base-Backbone interact. energy: -2.380
local terms energy: -380.590510
where:
bonds (distance) C4'-P energy: -83.402
bonds (distance) P-C4' energy: -81.026
flat angles C4'-P-C4' energy: -77.126
flat angles P-C4'-P energy: -55.813
tors. eta vs tors. theta energy: -83.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -933.812773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.812773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.812773 (E_RNA)
where:
Base-Base interactions energy: -598.584
where: short stacking energy: -268.742
Base-Backbone interact. energy: 5.921
local terms energy: -341.149849
where:
bonds (distance) C4'-P energy: -72.981
bonds (distance) P-C4' energy: -94.338
flat angles C4'-P-C4' energy: -82.348
flat angles P-C4'-P energy: -47.395
tors. eta vs tors. theta energy: -44.089
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: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -479.268995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.268995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.268995 (E_RNA)
where:
Base-Base interactions energy: -209.636
where: short stacking energy: -128.725
Base-Backbone interact. energy: 1.034
local terms energy: -270.666945
where:
bonds (distance) C4'-P energy: -84.356
bonds (distance) P-C4' energy: -91.023
flat angles C4'-P-C4' energy: -79.666
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: 13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1927.553317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.553317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.553317 (E_RNA)
where:
Base-Base interactions energy: -1303.543
where: short stacking energy: -578.971
Base-Backbone interact. energy: -5.239
local terms energy: -618.771356
where:
bonds (distance) C4'-P energy: -115.587
bonds (distance) P-C4' energy: -112.843
flat angles C4'-P-C4' energy: -124.143
flat angles P-C4'-P energy: -91.806
tors. eta vs tors. theta energy: -174.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1851.885315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.885315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.885315 (E_RNA)
where:
Base-Base interactions energy: -1245.799
where: short stacking energy: -547.217
Base-Backbone interact. energy: -1.029
local terms energy: -605.057703
where:
bonds (distance) C4'-P energy: -116.595
bonds (distance) P-C4' energy: -96.532
flat angles C4'-P-C4' energy: -128.641
flat angles P-C4'-P energy: -91.267
tors. eta vs tors. theta energy: -172.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1690.548097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.548097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.548097 (E_RNA)
where:
Base-Base interactions energy: -1160.912
where: short stacking energy: -520.990
Base-Backbone interact. energy: -1.199
local terms energy: -528.436259
where:
bonds (distance) C4'-P energy: -97.819
bonds (distance) P-C4' energy: -88.089
flat angles C4'-P-C4' energy: -112.386
flat angles P-C4'-P energy: -81.764
tors. eta vs tors. theta energy: -148.377
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: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1636.470995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.470995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.470995 (E_RNA)
where:
Base-Base interactions energy: -1125.289
where: short stacking energy: -483.256
Base-Backbone interact. energy: 0.879
local terms energy: -512.060569
where:
bonds (distance) C4'-P energy: -84.182
bonds (distance) P-C4' energy: -108.732
flat angles C4'-P-C4' energy: -114.876
flat angles P-C4'-P energy: -65.532
tors. eta vs tors. theta energy: -138.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1560.780728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.780728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.780728 (E_RNA)
where:
Base-Base interactions energy: -1063.742
where: short stacking energy: -448.672
Base-Backbone interact. energy: -1.202
local terms energy: -495.836883
where:
bonds (distance) C4'-P energy: -99.542
bonds (distance) P-C4' energy: -95.799
flat angles C4'-P-C4' energy: -108.690
flat angles P-C4'-P energy: -69.743
tors. eta vs tors. theta energy: -122.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1502.937931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.937931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.937931 (E_RNA)
where:
Base-Base interactions energy: -1026.249
where: short stacking energy: -434.555
Base-Backbone interact. energy: -0.389
local terms energy: -476.299681
where:
bonds (distance) C4'-P energy: -89.458
bonds (distance) P-C4' energy: -94.961
flat angles C4'-P-C4' energy: -103.106
flat angles P-C4'-P energy: -64.285
tors. eta vs tors. theta energy: -124.490
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: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1356.438239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.438239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.438239 (E_RNA)
where:
Base-Base interactions energy: -905.854
where: short stacking energy: -401.332
Base-Backbone interact. energy: 0.025
local terms energy: -450.608896
where:
bonds (distance) C4'-P energy: -90.746
bonds (distance) P-C4' energy: -91.742
flat angles C4'-P-C4' energy: -102.297
flat angles P-C4'-P energy: -69.773
tors. eta vs tors. theta energy: -96.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1231.688288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.688288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.688288 (E_RNA)
where:
Base-Base interactions energy: -824.271
where: short stacking energy: -347.555
Base-Backbone interact. energy: -0.878
local terms energy: -406.538508
where:
bonds (distance) C4'-P energy: -81.717
bonds (distance) P-C4' energy: -90.954
flat angles C4'-P-C4' energy: -98.890
flat angles P-C4'-P energy: -62.677
tors. eta vs tors. theta energy: -72.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -939.610105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.610105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.610105 (E_RNA)
where:
Base-Base interactions energy: -551.473
where: short stacking energy: -275.807
Base-Backbone interact. energy: -0.528
local terms energy: -387.609415
where:
bonds (distance) C4'-P energy: -97.093
bonds (distance) P-C4' energy: -87.632
flat angles C4'-P-C4' energy: -86.386
flat angles P-C4'-P energy: -57.387
tors. eta vs tors. theta energy: -59.111
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: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -505.047464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.047464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.047464 (E_RNA)
where:
Base-Base interactions energy: -214.957
where: short stacking energy: -139.052
Base-Backbone interact. energy: -1.739
local terms energy: -288.351595
where:
bonds (distance) C4'-P energy: -83.992
bonds (distance) P-C4' energy: -95.747
flat angles C4'-P-C4' energy: -72.378
flat angles P-C4'-P energy: -48.126
tors. eta vs tors. theta energy: 11.890
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: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1899.898014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.898014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.898014 (E_RNA)
where:
Base-Base interactions energy: -1308.127
where: short stacking energy: -572.785
Base-Backbone interact. energy: -2.262
local terms energy: -589.509400
where:
bonds (distance) C4'-P energy: -99.119
bonds (distance) P-C4' energy: -106.782
flat angles C4'-P-C4' energy: -130.777
flat angles P-C4'-P energy: -78.551
tors. eta vs tors. theta energy: -174.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1873.261513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.261513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.261513 (E_RNA)
where:
Base-Base interactions energy: -1285.172
where: short stacking energy: -555.378
Base-Backbone interact. energy: -4.365
local terms energy: -583.724668
where:
bonds (distance) C4'-P energy: -109.573
bonds (distance) P-C4' energy: -103.721
flat angles C4'-P-C4' energy: -124.676
flat angles P-C4'-P energy: -76.124
tors. eta vs tors. theta energy: -169.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1702.391686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.391686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.391686 (E_RNA)
where:
Base-Base interactions energy: -1153.241
where: short stacking energy: -500.633
Base-Backbone interact. energy: -1.395
local terms energy: -547.756129
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -109.737
flat angles C4'-P-C4' energy: -118.714
flat angles P-C4'-P energy: -77.100
tors. eta vs tors. theta energy: -143.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1651.320641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.320641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.320641 (E_RNA)
where:
Base-Base interactions energy: -1128.363
where: short stacking energy: -452.355
Base-Backbone interact. energy: 1.770
local terms energy: -524.727362
where:
bonds (distance) C4'-P energy: -118.549
bonds (distance) P-C4' energy: -98.152
flat angles C4'-P-C4' energy: -110.883
flat angles P-C4'-P energy: -74.275
tors. eta vs tors. theta energy: -122.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1563.294116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.294116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.294116 (E_RNA)
where:
Base-Base interactions energy: -1075.566
where: short stacking energy: -442.061
Base-Backbone interact. energy: -1.624
local terms energy: -486.104141
where:
bonds (distance) C4'-P energy: -99.452
bonds (distance) P-C4' energy: -94.449
flat angles C4'-P-C4' energy: -109.966
flat angles P-C4'-P energy: -63.430
tors. eta vs tors. theta energy: -118.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1548.064445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.064445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.064445 (E_RNA)
where:
Base-Base interactions energy: -1057.857
where: short stacking energy: -438.232
Base-Backbone interact. energy: -5.225
local terms energy: -484.983059
where:
bonds (distance) C4'-P energy: -79.976
bonds (distance) P-C4' energy: -104.880
flat angles C4'-P-C4' energy: -111.797
flat angles P-C4'-P energy: -75.147
tors. eta vs tors. theta energy: -113.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1340.433689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.433689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.433689 (E_RNA)
where:
Base-Base interactions energy: -901.785
where: short stacking energy: -397.025
Base-Backbone interact. energy: -1.447
local terms energy: -437.201677
where:
bonds (distance) C4'-P energy: -91.358
bonds (distance) P-C4' energy: -90.179
flat angles C4'-P-C4' energy: -102.515
flat angles P-C4'-P energy: -66.397
tors. eta vs tors. theta energy: -86.753
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: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1192.805222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.805222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.805222 (E_RNA)
where:
Base-Base interactions energy: -768.499
where: short stacking energy: -331.940
Base-Backbone interact. energy: -3.867
local terms energy: -420.438820
where:
bonds (distance) C4'-P energy: -97.343
bonds (distance) P-C4' energy: -87.997
flat angles C4'-P-C4' energy: -92.772
flat angles P-C4'-P energy: -72.442
tors. eta vs tors. theta energy: -69.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -912.691925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.691925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.691925 (E_RNA)
where:
Base-Base interactions energy: -589.730
where: short stacking energy: -281.211
Base-Backbone interact. energy: 5.578
local terms energy: -328.539417
where:
bonds (distance) C4'-P energy: -87.727
bonds (distance) P-C4' energy: -69.997
flat angles C4'-P-C4' energy: -82.261
flat angles P-C4'-P energy: -47.887
tors. eta vs tors. theta energy: -40.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -473.714282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.714282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.714282 (E_RNA)
where:
Base-Base interactions energy: -205.701
where: short stacking energy: -134.834
Base-Backbone interact. energy: 2.174
local terms energy: -270.188101
where:
bonds (distance) C4'-P energy: -73.993
bonds (distance) P-C4' energy: -91.375
flat angles C4'-P-C4' energy: -69.639
flat angles P-C4'-P energy: -49.570
tors. eta vs tors. theta energy: 14.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1904.097670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.097670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.097670 (E_RNA)
where:
Base-Base interactions energy: -1328.032
where: short stacking energy: -576.822
Base-Backbone interact. energy: -0.444
local terms energy: -575.621884
where:
bonds (distance) C4'-P energy: -111.420
bonds (distance) P-C4' energy: -97.256
flat angles C4'-P-C4' energy: -120.429
flat angles P-C4'-P energy: -77.995
tors. eta vs tors. theta energy: -168.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1882.562288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.562288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.562288 (E_RNA)
where:
Base-Base interactions energy: -1313.130
where: short stacking energy: -545.438
Base-Backbone interact. energy: -1.117
local terms energy: -568.315347
where:
bonds (distance) C4'-P energy: -91.063
bonds (distance) P-C4' energy: -102.535
flat angles C4'-P-C4' energy: -127.938
flat angles P-C4'-P energy: -78.258
tors. eta vs tors. theta energy: -168.522
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: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1710.104173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.104173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.104173 (E_RNA)
where:
Base-Base interactions energy: -1182.286
where: short stacking energy: -542.204
Base-Backbone interact. energy: -1.537
local terms energy: -526.280621
where:
bonds (distance) C4'-P energy: -96.184
bonds (distance) P-C4' energy: -87.473
flat angles C4'-P-C4' energy: -118.015
flat angles P-C4'-P energy: -75.138
tors. eta vs tors. theta energy: -149.470
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: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1657.143950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.143950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.143950 (E_RNA)
where:
Base-Base interactions energy: -1115.978
where: short stacking energy: -476.854
Base-Backbone interact. energy: -0.300
local terms energy: -540.865606
where:
bonds (distance) C4'-P energy: -102.371
bonds (distance) P-C4' energy: -112.798
flat angles C4'-P-C4' energy: -121.288
flat angles P-C4'-P energy: -68.622
tors. eta vs tors. theta energy: -135.787
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: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1605.746612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.746612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.746612 (E_RNA)
where:
Base-Base interactions energy: -1085.358
where: short stacking energy: -465.430
Base-Backbone interact. energy: -3.886
local terms energy: -516.501918
where:
bonds (distance) C4'-P energy: -105.029
bonds (distance) P-C4' energy: -94.038
flat angles C4'-P-C4' energy: -114.899
flat angles P-C4'-P energy: -71.557
tors. eta vs tors. theta energy: -130.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1500.260393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.260393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.260393 (E_RNA)
where:
Base-Base interactions energy: -1047.252
where: short stacking energy: -445.873
Base-Backbone interact. energy: -1.139
local terms energy: -451.869916
where:
bonds (distance) C4'-P energy: -81.472
bonds (distance) P-C4' energy: -95.996
flat angles C4'-P-C4' energy: -87.270
flat angles P-C4'-P energy: -64.926
tors. eta vs tors. theta energy: -122.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1297.746639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.746639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.746639 (E_RNA)
where:
Base-Base interactions energy: -881.124
where: short stacking energy: -373.790
Base-Backbone interact. energy: 0.334
local terms energy: -416.957251
where:
bonds (distance) C4'-P energy: -90.905
bonds (distance) P-C4' energy: -86.517
flat angles C4'-P-C4' energy: -95.615
flat angles P-C4'-P energy: -41.039
tors. eta vs tors. theta energy: -102.882
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: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1213.454837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.454837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.454837 (E_RNA)
where:
Base-Base interactions energy: -804.689
where: short stacking energy: -341.939
Base-Backbone interact. energy: 2.468
local terms energy: -411.233190
where:
bonds (distance) C4'-P energy: -88.728
bonds (distance) P-C4' energy: -100.269
flat angles C4'-P-C4' energy: -87.682
flat angles P-C4'-P energy: -61.037
tors. eta vs tors. theta energy: -73.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -843.733962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.733962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.733962 (E_RNA)
where:
Base-Base interactions energy: -490.519
where: short stacking energy: -231.818
Base-Backbone interact. energy: 0.317
local terms energy: -353.532174
where:
bonds (distance) C4'-P energy: -87.969
bonds (distance) P-C4' energy: -102.486
flat angles C4'-P-C4' energy: -75.829
flat angles P-C4'-P energy: -50.800
tors. eta vs tors. theta energy: -36.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -498.642388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.642388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.642388 (E_RNA)
where:
Base-Base interactions energy: -219.404
where: short stacking energy: -144.193
Base-Backbone interact. energy: 10.074
local terms energy: -289.312477
where:
bonds (distance) C4'-P energy: -85.333
bonds (distance) P-C4' energy: -96.866
flat angles C4'-P-C4' energy: -71.693
flat angles P-C4'-P energy: -46.739
tors. eta vs tors. theta energy: 11.319
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: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1915.214944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.214944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.214944 (E_RNA)
where:
Base-Base interactions energy: -1293.993
where: short stacking energy: -554.934
Base-Backbone interact. energy: -3.471
local terms energy: -617.751276
where:
bonds (distance) C4'-P energy: -112.173
bonds (distance) P-C4' energy: -113.266
flat angles C4'-P-C4' energy: -126.821
flat angles P-C4'-P energy: -83.950
tors. eta vs tors. theta energy: -181.542
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: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1897.395235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.395235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.395235 (E_RNA)
where:
Base-Base interactions energy: -1283.566
where: short stacking energy: -549.933
Base-Backbone interact. energy: -3.362
local terms energy: -610.467226
where:
bonds (distance) C4'-P energy: -113.507
bonds (distance) P-C4' energy: -119.658
flat angles C4'-P-C4' energy: -119.551
flat angles P-C4'-P energy: -84.714
tors. eta vs tors. theta energy: -173.037
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: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1693.139834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.139834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.139834 (E_RNA)
where:
Base-Base interactions energy: -1166.375
where: short stacking energy: -526.203
Base-Backbone interact. energy: -0.965
local terms energy: -525.800210
where:
bonds (distance) C4'-P energy: -101.759
bonds (distance) P-C4' energy: -96.808
flat angles C4'-P-C4' energy: -111.616
flat angles P-C4'-P energy: -78.018
tors. eta vs tors. theta energy: -137.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1679.356316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.356316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.356316 (E_RNA)
where:
Base-Base interactions energy: -1177.673
where: short stacking energy: -501.949
Base-Backbone interact. energy: -1.118
local terms energy: -500.565080
where:
bonds (distance) C4'-P energy: -84.744
bonds (distance) P-C4' energy: -92.306
flat angles C4'-P-C4' energy: -112.110
flat angles P-C4'-P energy: -73.987
tors. eta vs tors. theta energy: -137.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1620.063882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.063882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.063882 (E_RNA)
where:
Base-Base interactions energy: -1133.643
where: short stacking energy: -466.724
Base-Backbone interact. energy: -0.534
local terms energy: -485.886629
where:
bonds (distance) C4'-P energy: -90.668
bonds (distance) P-C4' energy: -80.886
flat angles C4'-P-C4' energy: -112.883
flat angles P-C4'-P energy: -72.772
tors. eta vs tors. theta energy: -128.676
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: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1556.932983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.932983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.932983 (E_RNA)
where:
Base-Base interactions energy: -1067.661
where: short stacking energy: -422.851
Base-Backbone interact. energy: -1.955
local terms energy: -487.317067
where:
bonds (distance) C4'-P energy: -86.425
bonds (distance) P-C4' energy: -103.066
flat angles C4'-P-C4' energy: -120.466
flat angles P-C4'-P energy: -61.787
tors. eta vs tors. theta energy: -115.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1356.364994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.364994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.364994 (E_RNA)
where:
Base-Base interactions energy: -854.030
where: short stacking energy: -383.267
Base-Backbone interact. energy: -1.712
local terms energy: -500.622652
where:
bonds (distance) C4'-P energy: -94.580
bonds (distance) P-C4' energy: -104.083
flat angles C4'-P-C4' energy: -115.602
flat angles P-C4'-P energy: -73.133
tors. eta vs tors. theta energy: -113.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1234.140269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.140269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.140269 (E_RNA)
where:
Base-Base interactions energy: -838.921
where: short stacking energy: -376.197
Base-Backbone interact. energy: -1.542
local terms energy: -393.677183
where:
bonds (distance) C4'-P energy: -73.508
bonds (distance) P-C4' energy: -101.833
flat angles C4'-P-C4' energy: -97.429
flat angles P-C4'-P energy: -45.220
tors. eta vs tors. theta energy: -75.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -972.626572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.626572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.626572 (E_RNA)
where:
Base-Base interactions energy: -598.847
where: short stacking energy: -276.688
Base-Backbone interact. energy: -1.022
local terms energy: -372.757295
where:
bonds (distance) C4'-P energy: -81.908
bonds (distance) P-C4' energy: -98.929
flat angles C4'-P-C4' energy: -80.494
flat angles P-C4'-P energy: -59.123
tors. eta vs tors. theta energy: -52.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -516.685677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.685677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.685677 (E_RNA)
where:
Base-Base interactions energy: -228.841
where: short stacking energy: -130.083
Base-Backbone interact. energy: -0.086
local terms energy: -287.758675
where:
bonds (distance) C4'-P energy: -86.372
bonds (distance) P-C4' energy: -85.331
flat angles C4'-P-C4' energy: -83.433
flat angles P-C4'-P energy: -59.534
tors. eta vs tors. theta energy: 26.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1895.693233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.693233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.693233 (E_RNA)
where:
Base-Base interactions energy: -1301.929
where: short stacking energy: -564.843
Base-Backbone interact. energy: -3.372
local terms energy: -590.392087
where:
bonds (distance) C4'-P energy: -108.263
bonds (distance) P-C4' energy: -113.158
flat angles C4'-P-C4' energy: -120.223
flat angles P-C4'-P energy: -83.487
tors. eta vs tors. theta energy: -165.261
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: 238
Temperature: 0.950000
Total energy: -1884.366031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.366031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.366031 (E_RNA)
where:
Base-Base interactions energy: -1305.984
where: short stacking energy: -545.400
Base-Backbone interact. energy: 0.144
local terms energy: -578.525961
where:
bonds (distance) C4'-P energy: -99.789
bonds (distance) P-C4' energy: -109.318
flat angles C4'-P-C4' energy: -123.072
flat angles P-C4'-P energy: -87.482
tors. eta vs tors. theta energy: -158.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1726.089823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.089823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.089823 (E_RNA)
where:
Base-Base interactions energy: -1200.209
where: short stacking energy: -485.107
Base-Backbone interact. energy: 2.889
local terms energy: -528.769468
where:
bonds (distance) C4'-P energy: -100.331
bonds (distance) P-C4' energy: -99.224
flat angles C4'-P-C4' energy: -120.742
flat angles P-C4'-P energy: -78.852
tors. eta vs tors. theta energy: -129.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1657.465324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.465324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.465324 (E_RNA)
where:
Base-Base interactions energy: -1133.682
where: short stacking energy: -493.532
Base-Backbone interact. energy: 0.002
local terms energy: -523.785240
where:
bonds (distance) C4'-P energy: -106.679
bonds (distance) P-C4' energy: -100.133
flat angles C4'-P-C4' energy: -114.471
flat angles P-C4'-P energy: -69.528
tors. eta vs tors. theta energy: -132.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1641.017719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.017719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.017719 (E_RNA)
where:
Base-Base interactions energy: -1138.881
where: short stacking energy: -475.805
Base-Backbone interact. energy: -2.035
local terms energy: -500.102118
where:
bonds (distance) C4'-P energy: -95.691
bonds (distance) P-C4' energy: -90.771
flat angles C4'-P-C4' energy: -110.875
flat angles P-C4'-P energy: -79.415
tors. eta vs tors. theta energy: -123.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1496.909703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.909703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.909703 (E_RNA)
where:
Base-Base interactions energy: -1026.497
where: short stacking energy: -431.777
Base-Backbone interact. energy: 0.983
local terms energy: -471.395163
where:
bonds (distance) C4'-P energy: -96.437
bonds (distance) P-C4' energy: -98.232
flat angles C4'-P-C4' energy: -96.012
flat angles P-C4'-P energy: -71.679
tors. eta vs tors. theta energy: -109.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1329.489991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.489991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.489991 (E_RNA)
where:
Base-Base interactions energy: -899.403
where: short stacking energy: -381.733
Base-Backbone interact. energy: -0.750
local terms energy: -429.336214
where:
bonds (distance) C4'-P energy: -83.829
bonds (distance) P-C4' energy: -92.693
flat angles C4'-P-C4' energy: -96.601
flat angles P-C4'-P energy: -71.643
tors. eta vs tors. theta energy: -84.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1191.964579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.964579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.964579 (E_RNA)
where:
Base-Base interactions energy: -791.680
where: short stacking energy: -346.128
Base-Backbone interact. energy: -0.395
local terms energy: -399.889597
where:
bonds (distance) C4'-P energy: -72.292
bonds (distance) P-C4' energy: -102.612
flat angles C4'-P-C4' energy: -103.825
flat angles P-C4'-P energy: -52.829
tors. eta vs tors. theta energy: -68.332
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: 238
Temperature: 1.300000
Total energy: -968.730364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.730364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.730364 (E_RNA)
where:
Base-Base interactions energy: -620.519
where: short stacking energy: -311.706
Base-Backbone interact. energy: -1.539
local terms energy: -346.672179
where:
bonds (distance) C4'-P energy: -65.501
bonds (distance) P-C4' energy: -92.670
flat angles C4'-P-C4' energy: -75.511
flat angles P-C4'-P energy: -53.921
tors. eta vs tors. theta energy: -59.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -490.093464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.093464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.093464 (E_RNA)
where:
Base-Base interactions energy: -216.557
where: short stacking energy: -113.168
Base-Backbone interact. energy: -1.276
local terms energy: -272.259887
where:
bonds (distance) C4'-P energy: -82.358
bonds (distance) P-C4' energy: -97.415
flat angles C4'-P-C4' energy: -70.958
flat angles P-C4'-P energy: -47.770
tors. eta vs tors. theta energy: 26.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1892.643245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.643245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.643245 (E_RNA)
where:
Base-Base interactions energy: -1286.029
where: short stacking energy: -578.376
Base-Backbone interact. energy: -1.138
local terms energy: -605.476325
where:
bonds (distance) C4'-P energy: -112.352
bonds (distance) P-C4' energy: -110.917
flat angles C4'-P-C4' energy: -125.533
flat angles P-C4'-P energy: -79.633
tors. eta vs tors. theta energy: -177.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1873.286258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.286258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.286258 (E_RNA)
where:
Base-Base interactions energy: -1282.870
where: short stacking energy: -557.006
Base-Backbone interact. energy: -1.667
local terms energy: -588.749795
where:
bonds (distance) C4'-P energy: -109.312
bonds (distance) P-C4' energy: -112.209
flat angles C4'-P-C4' energy: -111.052
flat angles P-C4'-P energy: -86.611
tors. eta vs tors. theta energy: -169.565
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: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1690.360122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.360122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.360122 (E_RNA)
where:
Base-Base interactions energy: -1157.323
where: short stacking energy: -511.879
Base-Backbone interact. energy: -0.606
local terms energy: -532.431781
where:
bonds (distance) C4'-P energy: -99.355
bonds (distance) P-C4' energy: -104.250
flat angles C4'-P-C4' energy: -107.099
flat angles P-C4'-P energy: -75.424
tors. eta vs tors. theta energy: -146.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1663.201554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.201554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.201554 (E_RNA)
where:
Base-Base interactions energy: -1160.967
where: short stacking energy: -489.757
Base-Backbone interact. energy: -1.785
local terms energy: -500.448995
where:
bonds (distance) C4'-P energy: -91.146
bonds (distance) P-C4' energy: -93.473
flat angles C4'-P-C4' energy: -103.798
flat angles P-C4'-P energy: -78.279
tors. eta vs tors. theta energy: -133.753
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: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1607.812922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.812922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.812922 (E_RNA)
where:
Base-Base interactions energy: -1095.499
where: short stacking energy: -482.138
Base-Backbone interact. energy: -2.730
local terms energy: -509.583774
where:
bonds (distance) C4'-P energy: -106.593
bonds (distance) P-C4' energy: -95.194
flat angles C4'-P-C4' energy: -115.660
flat angles P-C4'-P energy: -54.497
tors. eta vs tors. theta energy: -137.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1482.230606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.230606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.230606 (E_RNA)
where:
Base-Base interactions energy: -1028.250
where: short stacking energy: -423.892
Base-Backbone interact. energy: -3.926
local terms energy: -450.054297
where:
bonds (distance) C4'-P energy: -86.270
bonds (distance) P-C4' energy: -87.665
flat angles C4'-P-C4' energy: -109.686
flat angles P-C4'-P energy: -54.025
tors. eta vs tors. theta energy: -112.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1334.379642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.379642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.379642 (E_RNA)
where:
Base-Base interactions energy: -889.331
where: short stacking energy: -394.948
Base-Backbone interact. energy: -3.206
local terms energy: -441.842305
where:
bonds (distance) C4'-P energy: -83.838
bonds (distance) P-C4' energy: -107.180
flat angles C4'-P-C4' energy: -105.154
flat angles P-C4'-P energy: -52.403
tors. eta vs tors. theta energy: -93.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1269.298484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.298484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.298484 (E_RNA)
where:
Base-Base interactions energy: -843.420
where: short stacking energy: -358.081
Base-Backbone interact. energy: 0.934
local terms energy: -426.812455
where:
bonds (distance) C4'-P energy: -85.839
bonds (distance) P-C4' energy: -97.041
flat angles C4'-P-C4' energy: -82.415
flat angles P-C4'-P energy: -75.334
tors. eta vs tors. theta energy: -86.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -995.541984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.541984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.541984 (E_RNA)
where:
Base-Base interactions energy: -614.254
where: short stacking energy: -295.548
Base-Backbone interact. energy: 2.011
local terms energy: -383.299344
where:
bonds (distance) C4'-P energy: -87.826
bonds (distance) P-C4' energy: -103.390
flat angles C4'-P-C4' energy: -78.392
flat angles P-C4'-P energy: -53.953
tors. eta vs tors. theta energy: -59.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -483.896591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.896591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.896591 (E_RNA)
where:
Base-Base interactions energy: -203.423
where: short stacking energy: -128.702
Base-Backbone interact. energy: 1.028
local terms energy: -281.502175
where:
bonds (distance) C4'-P energy: -79.328
bonds (distance) P-C4' energy: -88.759
flat angles C4'-P-C4' energy: -80.211
flat angles P-C4'-P energy: -54.238
tors. eta vs tors. theta energy: 21.033
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: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1893.633390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.633390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.633390 (E_RNA)
where:
Base-Base interactions energy: -1287.884
where: short stacking energy: -573.610
Base-Backbone interact. energy: -0.907
local terms energy: -604.841572
where:
bonds (distance) C4'-P energy: -113.744
bonds (distance) P-C4' energy: -119.101
flat angles C4'-P-C4' energy: -124.316
flat angles P-C4'-P energy: -84.236
tors. eta vs tors. theta energy: -163.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1859.324957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.324957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.324957 (E_RNA)
where:
Base-Base interactions energy: -1271.948
where: short stacking energy: -560.106
Base-Backbone interact. energy: -4.442
local terms energy: -582.934106
where:
bonds (distance) C4'-P energy: -98.188
bonds (distance) P-C4' energy: -107.772
flat angles C4'-P-C4' energy: -118.153
flat angles P-C4'-P energy: -93.074
tors. eta vs tors. theta energy: -165.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1694.501805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.501805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.501805 (E_RNA)
where:
Base-Base interactions energy: -1145.302
where: short stacking energy: -486.971
Base-Backbone interact. energy: -3.686
local terms energy: -545.514163
where:
bonds (distance) C4'-P energy: -101.284
bonds (distance) P-C4' energy: -106.143
flat angles C4'-P-C4' energy: -117.345
flat angles P-C4'-P energy: -73.293
tors. eta vs tors. theta energy: -147.449
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: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1680.958968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.958968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.958968 (E_RNA)
where:
Base-Base interactions energy: -1157.620
where: short stacking energy: -498.748
Base-Backbone interact. energy: -0.598
local terms energy: -522.740801
where:
bonds (distance) C4'-P energy: -94.192
bonds (distance) P-C4' energy: -91.512
flat angles C4'-P-C4' energy: -122.497
flat angles P-C4'-P energy: -75.073
tors. eta vs tors. theta energy: -139.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1628.954090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.954090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.954090 (E_RNA)
where:
Base-Base interactions energy: -1124.547
where: short stacking energy: -492.115
Base-Backbone interact. energy: -0.557
local terms energy: -503.849700
where:
bonds (distance) C4'-P energy: -95.832
bonds (distance) P-C4' energy: -91.739
flat angles C4'-P-C4' energy: -110.041
flat angles P-C4'-P energy: -73.428
tors. eta vs tors. theta energy: -132.810
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: 240
Temperature: 1.150000
Total energy: -1515.608195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.608195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.608195 (E_RNA)
where:
Base-Base interactions energy: -1046.756
where: short stacking energy: -439.654
Base-Backbone interact. energy: -2.032
local terms energy: -466.820203
where:
bonds (distance) C4'-P energy: -93.318
bonds (distance) P-C4' energy: -103.438
flat angles C4'-P-C4' energy: -92.903
flat angles P-C4'-P energy: -67.717
tors. eta vs tors. theta energy: -109.444
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: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1318.978694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.978694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.978694 (E_RNA)
where:
Base-Base interactions energy: -864.751
where: short stacking energy: -384.508
Base-Backbone interact. energy: 0.049
local terms energy: -454.276767
where:
bonds (distance) C4'-P energy: -109.696
bonds (distance) P-C4' energy: -99.508
flat angles C4'-P-C4' energy: -93.379
flat angles P-C4'-P energy: -58.553
tors. eta vs tors. theta energy: -93.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1178.897412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.897412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.897412 (E_RNA)
where:
Base-Base interactions energy: -773.011
where: short stacking energy: -318.125
Base-Backbone interact. energy: 7.470
local terms energy: -413.356953
where:
bonds (distance) C4'-P energy: -87.463
bonds (distance) P-C4' energy: -92.723
flat angles C4'-P-C4' energy: -100.762
flat angles P-C4'-P energy: -67.156
tors. eta vs tors. theta energy: -65.253
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: 240
Temperature: 1.300000
Total energy: -1009.762153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.762153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.762153 (E_RNA)
where:
Base-Base interactions energy: -619.523
where: short stacking energy: -262.882
Base-Backbone interact. energy: -1.322
local terms energy: -388.916797
where:
bonds (distance) C4'-P energy: -100.411
bonds (distance) P-C4' energy: -92.069
flat angles C4'-P-C4' energy: -88.715
flat angles P-C4'-P energy: -55.214
tors. eta vs tors. theta energy: -52.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -518.223471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.223471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.223471 (E_RNA)
where:
Base-Base interactions energy: -236.454
where: short stacking energy: -114.086
Base-Backbone interact. energy: 1.163
local terms energy: -282.932424
where:
bonds (distance) C4'-P energy: -93.498
bonds (distance) P-C4' energy: -83.880
flat angles C4'-P-C4' energy: -76.596
flat angles P-C4'-P energy: -52.575
tors. eta vs tors. theta energy: 23.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1893.932203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.932203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.932203 (E_RNA)
where:
Base-Base interactions energy: -1298.382
where: short stacking energy: -561.609
Base-Backbone interact. energy: -1.221
local terms energy: -594.329890
where:
bonds (distance) C4'-P energy: -96.212
bonds (distance) P-C4' energy: -106.699
flat angles C4'-P-C4' energy: -131.372
flat angles P-C4'-P energy: -93.483
tors. eta vs tors. theta energy: -166.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1849.298325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.298325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.298325 (E_RNA)
where:
Base-Base interactions energy: -1248.535
where: short stacking energy: -536.196
Base-Backbone interact. energy: -4.092
local terms energy: -596.670830
where:
bonds (distance) C4'-P energy: -114.038
bonds (distance) P-C4' energy: -105.381
flat angles C4'-P-C4' energy: -121.584
flat angles P-C4'-P energy: -89.286
tors. eta vs tors. theta energy: -166.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1700.065000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.065000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.065000 (E_RNA)
where:
Base-Base interactions energy: -1142.495
where: short stacking energy: -501.242
Base-Backbone interact. energy: 0.755
local terms energy: -558.324885
where:
bonds (distance) C4'-P energy: -86.997
bonds (distance) P-C4' energy: -120.386
flat angles C4'-P-C4' energy: -117.678
flat angles P-C4'-P energy: -86.799
tors. eta vs tors. theta energy: -146.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1672.585494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.585494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.585494 (E_RNA)
where:
Base-Base interactions energy: -1150.571
where: short stacking energy: -461.798
Base-Backbone interact. energy: -4.511
local terms energy: -517.503418
where:
bonds (distance) C4'-P energy: -94.842
bonds (distance) P-C4' energy: -104.296
flat angles C4'-P-C4' energy: -117.351
flat angles P-C4'-P energy: -66.211
tors. eta vs tors. theta energy: -134.803
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: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1633.543025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.543025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.543025 (E_RNA)
where:
Base-Base interactions energy: -1133.340
where: short stacking energy: -506.925
Base-Backbone interact. energy: 3.761
local terms energy: -503.964502
where:
bonds (distance) C4'-P energy: -91.628
bonds (distance) P-C4' energy: -96.026
flat angles C4'-P-C4' energy: -115.832
flat angles P-C4'-P energy: -61.165
tors. eta vs tors. theta energy: -139.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1523.050915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.050915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.050915 (E_RNA)
where:
Base-Base interactions energy: -1037.234
where: short stacking energy: -432.494
Base-Backbone interact. energy: 1.304
local terms energy: -487.120026
where:
bonds (distance) C4'-P energy: -98.729
bonds (distance) P-C4' energy: -98.721
flat angles C4'-P-C4' energy: -104.651
flat angles P-C4'-P energy: -71.601
tors. eta vs tors. theta energy: -113.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1247.685903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.685903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.685903 (E_RNA)
where:
Base-Base interactions energy: -830.330
where: short stacking energy: -354.745
Base-Backbone interact. energy: 2.839
local terms energy: -420.194927
where:
bonds (distance) C4'-P energy: -100.654
bonds (distance) P-C4' energy: -91.790
flat angles C4'-P-C4' energy: -94.458
flat angles P-C4'-P energy: -57.061
tors. eta vs tors. theta energy: -76.232
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: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1259.161978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.161978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.161978 (E_RNA)
where:
Base-Base interactions energy: -856.718
where: short stacking energy: -373.680
Base-Backbone interact. energy: 4.301
local terms energy: -406.745016
where:
bonds (distance) C4'-P energy: -95.715
bonds (distance) P-C4' energy: -86.395
flat angles C4'-P-C4' energy: -82.244
flat angles P-C4'-P energy: -62.577
tors. eta vs tors. theta energy: -79.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -984.419300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.419300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.419300 (E_RNA)
where:
Base-Base interactions energy: -629.464
where: short stacking energy: -288.129
Base-Backbone interact. energy: -2.718
local terms energy: -352.237917
where:
bonds (distance) C4'-P energy: -80.563
bonds (distance) P-C4' energy: -89.227
flat angles C4'-P-C4' energy: -81.932
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -61.862
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: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -479.543203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.543203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.543203 (E_RNA)
where:
Base-Base interactions energy: -197.353
where: short stacking energy: -147.993
Base-Backbone interact. energy: 2.349
local terms energy: -284.539901
where:
bonds (distance) C4'-P energy: -89.870
bonds (distance) P-C4' energy: -99.267
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -43.238
tors. eta vs tors. theta energy: 16.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1892.829740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.829740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.829740 (E_RNA)
where:
Base-Base interactions energy: -1287.721
where: short stacking energy: -562.634
Base-Backbone interact. energy: -0.648
local terms energy: -604.460279
where:
bonds (distance) C4'-P energy: -97.256
bonds (distance) P-C4' energy: -117.504
flat angles C4'-P-C4' energy: -129.459
flat angles P-C4'-P energy: -89.864
tors. eta vs tors. theta energy: -170.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1852.950758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.950758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.950758 (E_RNA)
where:
Base-Base interactions energy: -1291.645
where: short stacking energy: -563.978
Base-Backbone interact. energy: -1.157
local terms energy: -560.148019
where:
bonds (distance) C4'-P energy: -93.984
bonds (distance) P-C4' energy: -103.297
flat angles C4'-P-C4' energy: -112.026
flat angles P-C4'-P energy: -83.937
tors. eta vs tors. theta energy: -166.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1768.940372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.940372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.940372 (E_RNA)
where:
Base-Base interactions energy: -1195.387
where: short stacking energy: -524.287
Base-Backbone interact. energy: -2.002
local terms energy: -571.551586
where:
bonds (distance) C4'-P energy: -103.192
bonds (distance) P-C4' energy: -108.383
flat angles C4'-P-C4' energy: -120.559
flat angles P-C4'-P energy: -78.590
tors. eta vs tors. theta energy: -160.828
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: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1651.091238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.091238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.091238 (E_RNA)
where:
Base-Base interactions energy: -1114.526
where: short stacking energy: -483.085
Base-Backbone interact. energy: -1.092
local terms energy: -535.473579
where:
bonds (distance) C4'-P energy: -96.508
bonds (distance) P-C4' energy: -108.247
flat angles C4'-P-C4' energy: -111.221
flat angles P-C4'-P energy: -79.396
tors. eta vs tors. theta energy: -140.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1592.849942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.849942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.849942 (E_RNA)
where:
Base-Base interactions energy: -1068.996
where: short stacking energy: -464.126
Base-Backbone interact. energy: -2.906
local terms energy: -520.947481
where:
bonds (distance) C4'-P energy: -102.107
bonds (distance) P-C4' energy: -117.997
flat angles C4'-P-C4' energy: -106.904
flat angles P-C4'-P energy: -67.744
tors. eta vs tors. theta energy: -126.195
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: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1476.803221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.803221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.803221 (E_RNA)
where:
Base-Base interactions energy: -994.055
where: short stacking energy: -411.592
Base-Backbone interact. energy: -1.421
local terms energy: -481.327479
where:
bonds (distance) C4'-P energy: -98.559
bonds (distance) P-C4' energy: -80.525
flat angles C4'-P-C4' energy: -113.894
flat angles P-C4'-P energy: -79.713
tors. eta vs tors. theta energy: -108.635
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: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1286.844417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.844417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.844417 (E_RNA)
where:
Base-Base interactions energy: -878.548
where: short stacking energy: -377.232
Base-Backbone interact. energy: -2.206
local terms energy: -406.090759
where:
bonds (distance) C4'-P energy: -88.923
bonds (distance) P-C4' energy: -81.273
flat angles C4'-P-C4' energy: -96.097
flat angles P-C4'-P energy: -55.070
tors. eta vs tors. theta energy: -84.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1239.543013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.543013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.543013 (E_RNA)
where:
Base-Base interactions energy: -831.595
where: short stacking energy: -354.015
Base-Backbone interact. energy: -0.881
local terms energy: -407.067692
where:
bonds (distance) C4'-P energy: -76.616
bonds (distance) P-C4' energy: -99.032
flat angles C4'-P-C4' energy: -84.658
flat angles P-C4'-P energy: -66.017
tors. eta vs tors. theta energy: -80.744
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: 242
Temperature: 1.300000
Total energy: -984.588204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.588204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.588204 (E_RNA)
where:
Base-Base interactions energy: -630.600
where: short stacking energy: -296.009
Base-Backbone interact. energy: -0.756
local terms energy: -353.231583
where:
bonds (distance) C4'-P energy: -70.623
bonds (distance) P-C4' energy: -83.312
flat angles C4'-P-C4' energy: -99.568
flat angles P-C4'-P energy: -42.258
tors. eta vs tors. theta energy: -57.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -498.770738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.770738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.770738 (E_RNA)
where:
Base-Base interactions energy: -203.488
where: short stacking energy: -122.133
Base-Backbone interact. energy: -1.075
local terms energy: -294.207585
where:
bonds (distance) C4'-P energy: -94.244
bonds (distance) P-C4' energy: -101.906
flat angles C4'-P-C4' energy: -57.153
flat angles P-C4'-P energy: -52.671
tors. eta vs tors. theta energy: 11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1918.213694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.213694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.213694 (E_RNA)
where:
Base-Base interactions energy: -1304.826
where: short stacking energy: -573.054
Base-Backbone interact. energy: -2.496
local terms energy: -610.891837
where:
bonds (distance) C4'-P energy: -109.686
bonds (distance) P-C4' energy: -116.409
flat angles C4'-P-C4' energy: -128.933
flat angles P-C4'-P energy: -84.805
tors. eta vs tors. theta energy: -171.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1846.657714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.657714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.657714 (E_RNA)
where:
Base-Base interactions energy: -1252.933
where: short stacking energy: -557.676
Base-Backbone interact. energy: -2.773
local terms energy: -590.952055
where:
bonds (distance) C4'-P energy: -113.007
bonds (distance) P-C4' energy: -111.136
flat angles C4'-P-C4' energy: -118.408
flat angles P-C4'-P energy: -80.408
tors. eta vs tors. theta energy: -167.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1758.022435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.022435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.022435 (E_RNA)
where:
Base-Base interactions energy: -1206.492
where: short stacking energy: -496.262
Base-Backbone interact. energy: -4.261
local terms energy: -547.269415
where:
bonds (distance) C4'-P energy: -98.089
bonds (distance) P-C4' energy: -110.586
flat angles C4'-P-C4' energy: -115.015
flat angles P-C4'-P energy: -74.618
tors. eta vs tors. theta energy: -148.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1605.377376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.377376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.377376 (E_RNA)
where:
Base-Base interactions energy: -1112.356
where: short stacking energy: -487.653
Base-Backbone interact. energy: -1.998
local terms energy: -491.023757
where:
bonds (distance) C4'-P energy: -77.729
bonds (distance) P-C4' energy: -97.426
flat angles C4'-P-C4' energy: -121.450
flat angles P-C4'-P energy: -70.171
tors. eta vs tors. theta energy: -124.248
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: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1586.646952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.646952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.646952 (E_RNA)
where:
Base-Base interactions energy: -1060.470
where: short stacking energy: -449.104
Base-Backbone interact. energy: 0.668
local terms energy: -526.844991
where:
bonds (distance) C4'-P energy: -109.570
bonds (distance) P-C4' energy: -99.067
flat angles C4'-P-C4' energy: -126.094
flat angles P-C4'-P energy: -66.174
tors. eta vs tors. theta energy: -125.940
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: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1474.135626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.135626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.135626 (E_RNA)
where:
Base-Base interactions energy: -1010.888
where: short stacking energy: -432.452
Base-Backbone interact. energy: 0.611
local terms energy: -463.858160
where:
bonds (distance) C4'-P energy: -88.487
bonds (distance) P-C4' energy: -85.959
flat angles C4'-P-C4' energy: -111.062
flat angles P-C4'-P energy: -67.323
tors. eta vs tors. theta energy: -111.027
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: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1329.903689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.903689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.903689 (E_RNA)
where:
Base-Base interactions energy: -848.801
where: short stacking energy: -391.903
Base-Backbone interact. energy: -1.958
local terms energy: -479.144190
where:
bonds (distance) C4'-P energy: -109.855
bonds (distance) P-C4' energy: -98.141
flat angles C4'-P-C4' energy: -102.615
flat angles P-C4'-P energy: -71.103
tors. eta vs tors. theta energy: -97.431
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: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1247.761892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.761892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.761892 (E_RNA)
where:
Base-Base interactions energy: -833.391
where: short stacking energy: -345.283
Base-Backbone interact. energy: -2.017
local terms energy: -412.353679
where:
bonds (distance) C4'-P energy: -88.616
bonds (distance) P-C4' energy: -77.950
flat angles C4'-P-C4' energy: -96.248
flat angles P-C4'-P energy: -63.150
tors. eta vs tors. theta energy: -86.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1009.395402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.395402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.395402 (E_RNA)
where:
Base-Base interactions energy: -640.303
where: short stacking energy: -285.796
Base-Backbone interact. energy: 3.229
local terms energy: -372.321416
where:
bonds (distance) C4'-P energy: -66.512
bonds (distance) P-C4' energy: -100.580
flat angles C4'-P-C4' energy: -90.015
flat angles P-C4'-P energy: -64.636
tors. eta vs tors. theta energy: -50.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -585.746485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.746485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.746485 (E_RNA)
where:
Base-Base interactions energy: -269.093
where: short stacking energy: -154.496
Base-Backbone interact. energy: 0.588
local terms energy: -317.241970
where:
bonds (distance) C4'-P energy: -96.816
bonds (distance) P-C4' energy: -94.938
flat angles C4'-P-C4' energy: -73.373
flat angles P-C4'-P energy: -52.154
tors. eta vs tors. theta energy: 0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1936.037724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.037724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.037724 (E_RNA)
where:
Base-Base interactions energy: -1319.075
where: short stacking energy: -591.575
Base-Backbone interact. energy: -1.264
local terms energy: -615.698584
where:
bonds (distance) C4'-P energy: -108.906
bonds (distance) P-C4' energy: -111.338
flat angles C4'-P-C4' energy: -123.003
flat angles P-C4'-P energy: -97.620
tors. eta vs tors. theta energy: -174.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1879.613651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.613651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.613651 (E_RNA)
where:
Base-Base interactions energy: -1280.710
where: short stacking energy: -574.528
Base-Backbone interact. energy: -4.202
local terms energy: -594.701713
where:
bonds (distance) C4'-P energy: -107.255
bonds (distance) P-C4' energy: -106.394
flat angles C4'-P-C4' energy: -133.409
flat angles P-C4'-P energy: -77.423
tors. eta vs tors. theta energy: -170.221
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: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1758.324689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.324689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.324689 (E_RNA)
where:
Base-Base interactions energy: -1216.321
where: short stacking energy: -523.506
Base-Backbone interact. energy: 2.321
local terms energy: -544.323831
where:
bonds (distance) C4'-P energy: -95.272
bonds (distance) P-C4' energy: -99.503
flat angles C4'-P-C4' energy: -118.235
flat angles P-C4'-P energy: -77.972
tors. eta vs tors. theta energy: -153.343
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: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1616.310052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.310052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.310052 (E_RNA)
where:
Base-Base interactions energy: -1112.570
where: short stacking energy: -479.808
Base-Backbone interact. energy: 2.424
local terms energy: -506.163431
where:
bonds (distance) C4'-P energy: -89.638
bonds (distance) P-C4' energy: -100.777
flat angles C4'-P-C4' energy: -111.060
flat angles P-C4'-P energy: -69.634
tors. eta vs tors. theta energy: -135.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1611.086738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.086738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.086738 (E_RNA)
where:
Base-Base interactions energy: -1101.559
where: short stacking energy: -448.036
Base-Backbone interact. energy: -2.946
local terms energy: -506.581975
where:
bonds (distance) C4'-P energy: -104.126
bonds (distance) P-C4' energy: -87.463
flat angles C4'-P-C4' energy: -114.078
flat angles P-C4'-P energy: -72.616
tors. eta vs tors. theta energy: -128.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1475.744400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.744400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.744400 (E_RNA)
where:
Base-Base interactions energy: -1014.241
where: short stacking energy: -410.659
Base-Backbone interact. energy: -1.489
local terms energy: -460.014601
where:
bonds (distance) C4'-P energy: -99.628
bonds (distance) P-C4' energy: -101.120
flat angles C4'-P-C4' energy: -101.801
flat angles P-C4'-P energy: -53.089
tors. eta vs tors. theta energy: -104.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1278.369145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.369145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.369145 (E_RNA)
where:
Base-Base interactions energy: -870.552
where: short stacking energy: -383.750
Base-Backbone interact. energy: -2.335
local terms energy: -405.481626
where:
bonds (distance) C4'-P energy: -76.908
bonds (distance) P-C4' energy: -86.656
flat angles C4'-P-C4' energy: -103.230
flat angles P-C4'-P energy: -52.516
tors. eta vs tors. theta energy: -86.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1267.753204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.753204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.753204 (E_RNA)
where:
Base-Base interactions energy: -856.450
where: short stacking energy: -363.362
Base-Backbone interact. energy: -1.901
local terms energy: -409.402170
where:
bonds (distance) C4'-P energy: -94.625
bonds (distance) P-C4' energy: -78.539
flat angles C4'-P-C4' energy: -89.000
flat angles P-C4'-P energy: -63.114
tors. eta vs tors. theta energy: -84.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -991.768745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.768745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.768745 (E_RNA)
where:
Base-Base interactions energy: -621.828
where: short stacking energy: -279.114
Base-Backbone interact. energy: -1.925
local terms energy: -368.015690
where:
bonds (distance) C4'-P energy: -85.173
bonds (distance) P-C4' energy: -99.825
flat angles C4'-P-C4' energy: -85.701
flat angles P-C4'-P energy: -44.413
tors. eta vs tors. theta energy: -52.904
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: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -585.432149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.432149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.432149 (E_RNA)
where:
Base-Base interactions energy: -293.901
where: short stacking energy: -176.176
Base-Backbone interact. energy: -1.351
local terms energy: -290.180719
where:
bonds (distance) C4'-P energy: -77.282
bonds (distance) P-C4' energy: -93.580
flat angles C4'-P-C4' energy: -81.852
flat angles P-C4'-P energy: -31.298
tors. eta vs tors. theta energy: -6.169
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: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1909.016271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.016271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.016271 (E_RNA)
where:
Base-Base interactions energy: -1313.428
where: short stacking energy: -592.039
Base-Backbone interact. energy: -1.077
local terms energy: -594.511756
where:
bonds (distance) C4'-P energy: -104.866
bonds (distance) P-C4' energy: -111.757
flat angles C4'-P-C4' energy: -123.948
flat angles P-C4'-P energy: -80.501
tors. eta vs tors. theta energy: -173.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1859.091970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.091970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.091970 (E_RNA)
where:
Base-Base interactions energy: -1282.318
where: short stacking energy: -542.778
Base-Backbone interact. energy: -2.531
local terms energy: -574.242706
where:
bonds (distance) C4'-P energy: -103.797
bonds (distance) P-C4' energy: -110.655
flat angles C4'-P-C4' energy: -123.616
flat angles P-C4'-P energy: -71.610
tors. eta vs tors. theta energy: -164.565
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: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1729.223156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.223156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.223156 (E_RNA)
where:
Base-Base interactions energy: -1173.905
where: short stacking energy: -507.189
Base-Backbone interact. energy: -4.163
local terms energy: -551.154601
where:
bonds (distance) C4'-P energy: -103.382
bonds (distance) P-C4' energy: -104.717
flat angles C4'-P-C4' energy: -116.598
flat angles P-C4'-P energy: -84.547
tors. eta vs tors. theta energy: -141.910
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: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1655.433203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.433203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.433203 (E_RNA)
where:
Base-Base interactions energy: -1144.351
where: short stacking energy: -498.252
Base-Backbone interact. energy: -2.354
local terms energy: -508.728062
where:
bonds (distance) C4'-P energy: -96.790
bonds (distance) P-C4' energy: -100.716
flat angles C4'-P-C4' energy: -105.986
flat angles P-C4'-P energy: -59.445
tors. eta vs tors. theta energy: -145.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1584.401372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.401372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.401372 (E_RNA)
where:
Base-Base interactions energy: -1090.074
where: short stacking energy: -454.239
Base-Backbone interact. energy: -0.095
local terms energy: -494.232006
where:
bonds (distance) C4'-P energy: -87.873
bonds (distance) P-C4' energy: -99.697
flat angles C4'-P-C4' energy: -102.255
flat angles P-C4'-P energy: -78.861
tors. eta vs tors. theta energy: -125.545
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: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1485.258841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.258841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.258841 (E_RNA)
where:
Base-Base interactions energy: -1007.732
where: short stacking energy: -424.483
Base-Backbone interact. energy: 2.516
local terms energy: -480.042599
where:
bonds (distance) C4'-P energy: -94.617
bonds (distance) P-C4' energy: -102.249
flat angles C4'-P-C4' energy: -106.270
flat angles P-C4'-P energy: -68.214
tors. eta vs tors. theta energy: -108.692
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: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1336.687808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.687808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.687808 (E_RNA)
where:
Base-Base interactions energy: -892.798
where: short stacking energy: -387.078
Base-Backbone interact. energy: -1.257
local terms energy: -442.633222
where:
bonds (distance) C4'-P energy: -87.997
bonds (distance) P-C4' energy: -87.318
flat angles C4'-P-C4' energy: -101.468
flat angles P-C4'-P energy: -72.868
tors. eta vs tors. theta energy: -92.982
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: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1203.553858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.553858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.553858 (E_RNA)
where:
Base-Base interactions energy: -804.642
where: short stacking energy: -356.166
Base-Backbone interact. energy: -3.499
local terms energy: -395.412692
where:
bonds (distance) C4'-P energy: -79.452
bonds (distance) P-C4' energy: -76.494
flat angles C4'-P-C4' energy: -99.626
flat angles P-C4'-P energy: -60.101
tors. eta vs tors. theta energy: -79.740
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: 245
Temperature: 1.300000
Total energy: -971.096806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.096806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.096806 (E_RNA)
where:
Base-Base interactions energy: -623.827
where: short stacking energy: -283.405
Base-Backbone interact. energy: 0.658
local terms energy: -347.928253
where:
bonds (distance) C4'-P energy: -75.008
bonds (distance) P-C4' energy: -71.903
flat angles C4'-P-C4' energy: -92.280
flat angles P-C4'-P energy: -54.510
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: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -548.210665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.210665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.210665 (E_RNA)
where:
Base-Base interactions energy: -257.023
where: short stacking energy: -134.966
Base-Backbone interact. energy: 1.639
local terms energy: -292.826718
where:
bonds (distance) C4'-P energy: -73.153
bonds (distance) P-C4' energy: -100.451
flat angles C4'-P-C4' energy: -83.838
flat angles P-C4'-P energy: -47.918
tors. eta vs tors. theta energy: 12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1919.854158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.854158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.854158 (E_RNA)
where:
Base-Base interactions energy: -1288.364
where: short stacking energy: -588.445
Base-Backbone interact. energy: 0.013
local terms energy: -631.503718
where:
bonds (distance) C4'-P energy: -117.148
bonds (distance) P-C4' energy: -117.870
flat angles C4'-P-C4' energy: -120.891
flat angles P-C4'-P energy: -92.896
tors. eta vs tors. theta energy: -182.698
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: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1835.904535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.904535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.904535 (E_RNA)
where:
Base-Base interactions energy: -1253.684
where: short stacking energy: -538.663
Base-Backbone interact. energy: -3.457
local terms energy: -578.764149
where:
bonds (distance) C4'-P energy: -108.566
bonds (distance) P-C4' energy: -100.105
flat angles C4'-P-C4' energy: -126.050
flat angles P-C4'-P energy: -81.466
tors. eta vs tors. theta energy: -162.578
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: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1769.370759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.370759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.370759 (E_RNA)
where:
Base-Base interactions energy: -1205.470
where: short stacking energy: -507.884
Base-Backbone interact. energy: -0.180
local terms energy: -563.720949
where:
bonds (distance) C4'-P energy: -105.847
bonds (distance) P-C4' energy: -94.791
flat angles C4'-P-C4' energy: -120.075
flat angles P-C4'-P energy: -87.120
tors. eta vs tors. theta energy: -155.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1654.168263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.168263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.168263 (E_RNA)
where:
Base-Base interactions energy: -1128.577
where: short stacking energy: -474.478
Base-Backbone interact. energy: -3.105
local terms energy: -522.485902
where:
bonds (distance) C4'-P energy: -111.932
bonds (distance) P-C4' energy: -85.995
flat angles C4'-P-C4' energy: -112.722
flat angles P-C4'-P energy: -75.999
tors. eta vs tors. theta energy: -135.838
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: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1589.439033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.439033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.439033 (E_RNA)
where:
Base-Base interactions energy: -1078.381
where: short stacking energy: -468.982
Base-Backbone interact. energy: -1.995
local terms energy: -509.062480
where:
bonds (distance) C4'-P energy: -96.763
bonds (distance) P-C4' energy: -96.922
flat angles C4'-P-C4' energy: -101.896
flat angles P-C4'-P energy: -80.349
tors. eta vs tors. theta energy: -133.132
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: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1442.979081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.979081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.979081 (E_RNA)
where:
Base-Base interactions energy: -979.514
where: short stacking energy: -419.104
Base-Backbone interact. energy: -0.118
local terms energy: -463.347260
where:
bonds (distance) C4'-P energy: -96.767
bonds (distance) P-C4' energy: -100.973
flat angles C4'-P-C4' energy: -99.773
flat angles P-C4'-P energy: -67.098
tors. eta vs tors. theta energy: -98.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1291.344744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.344744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.344744 (E_RNA)
where:
Base-Base interactions energy: -839.351
where: short stacking energy: -378.641
Base-Backbone interact. energy: -2.210
local terms energy: -449.784297
where:
bonds (distance) C4'-P energy: -88.494
bonds (distance) P-C4' energy: -99.298
flat angles C4'-P-C4' energy: -101.479
flat angles P-C4'-P energy: -60.061
tors. eta vs tors. theta energy: -100.452
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: 2
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1202.269974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.269974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.269974 (E_RNA)
where:
Base-Base interactions energy: -805.394
where: short stacking energy: -326.526
Base-Backbone interact. energy: -0.907
local terms energy: -395.968851
where:
bonds (distance) C4'-P energy: -87.079
bonds (distance) P-C4' energy: -86.416
flat angles C4'-P-C4' energy: -97.377
flat angles P-C4'-P energy: -49.812
tors. eta vs tors. theta energy: -75.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1009.538539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.538539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.538539 (E_RNA)
where:
Base-Base interactions energy: -625.934
where: short stacking energy: -295.222
Base-Backbone interact. energy: -1.054
local terms energy: -382.550332
where:
bonds (distance) C4'-P energy: -79.427
bonds (distance) P-C4' energy: -98.731
flat angles C4'-P-C4' energy: -87.572
flat angles P-C4'-P energy: -53.698
tors. eta vs tors. theta energy: -63.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -526.850003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.850003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.850003 (E_RNA)
where:
Base-Base interactions energy: -218.379
where: short stacking energy: -115.828
Base-Backbone interact. energy: -2.670
local terms energy: -305.800732
where:
bonds (distance) C4'-P energy: -97.258
bonds (distance) P-C4' energy: -107.368
flat angles C4'-P-C4' energy: -84.614
flat angles P-C4'-P energy: -33.291
tors. eta vs tors. theta energy: 16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1906.858873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.858873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.858873 (E_RNA)
where:
Base-Base interactions energy: -1292.628
where: short stacking energy: -558.717
Base-Backbone interact. energy: -4.407
local terms energy: -609.823466
where:
bonds (distance) C4'-P energy: -115.292
bonds (distance) P-C4' energy: -109.082
flat angles C4'-P-C4' energy: -122.227
flat angles P-C4'-P energy: -88.775
tors. eta vs tors. theta energy: -174.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1849.850806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.850806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.850806 (E_RNA)
where:
Base-Base interactions energy: -1259.878
where: short stacking energy: -539.491
Base-Backbone interact. energy: 1.995
local terms energy: -591.968479
where:
bonds (distance) C4'-P energy: -105.356
bonds (distance) P-C4' energy: -120.926
flat angles C4'-P-C4' energy: -129.529
flat angles P-C4'-P energy: -69.983
tors. eta vs tors. theta energy: -166.175
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: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1776.475678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.475678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.475678 (E_RNA)
where:
Base-Base interactions energy: -1236.250
where: short stacking energy: -502.356
Base-Backbone interact. energy: -0.248
local terms energy: -539.977184
where:
bonds (distance) C4'-P energy: -103.010
bonds (distance) P-C4' energy: -100.721
flat angles C4'-P-C4' energy: -120.065
flat angles P-C4'-P energy: -79.795
tors. eta vs tors. theta energy: -136.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1673.032756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.032756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.032756 (E_RNA)
where:
Base-Base interactions energy: -1156.638
where: short stacking energy: -503.309
Base-Backbone interact. energy: 2.000
local terms energy: -518.394573
where:
bonds (distance) C4'-P energy: -108.515
bonds (distance) P-C4' energy: -104.519
flat angles C4'-P-C4' energy: -94.486
flat angles P-C4'-P energy: -70.497
tors. eta vs tors. theta energy: -140.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1569.457041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.457041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.457041 (E_RNA)
where:
Base-Base interactions energy: -1064.145
where: short stacking energy: -437.044
Base-Backbone interact. energy: -0.838
local terms energy: -504.474571
where:
bonds (distance) C4'-P energy: -87.659
bonds (distance) P-C4' energy: -105.983
flat angles C4'-P-C4' energy: -116.057
flat angles P-C4'-P energy: -72.136
tors. eta vs tors. theta energy: -122.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1458.961879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.961879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.961879 (E_RNA)
where:
Base-Base interactions energy: -1000.131
where: short stacking energy: -417.022
Base-Backbone interact. energy: 0.698
local terms energy: -459.529001
where:
bonds (distance) C4'-P energy: -90.048
bonds (distance) P-C4' energy: -94.351
flat angles C4'-P-C4' energy: -107.578
flat angles P-C4'-P energy: -57.120
tors. eta vs tors. theta energy: -110.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1261.485345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.485345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.485345 (E_RNA)
where:
Base-Base interactions energy: -847.141
where: short stacking energy: -376.080
Base-Backbone interact. energy: -1.235
local terms energy: -413.109574
where:
bonds (distance) C4'-P energy: -84.756
bonds (distance) P-C4' energy: -90.560
flat angles C4'-P-C4' energy: -95.789
flat angles P-C4'-P energy: -62.071
tors. eta vs tors. theta energy: -79.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1141.874762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.874762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.874762 (E_RNA)
where:
Base-Base interactions energy: -732.663
where: short stacking energy: -319.108
Base-Backbone interact. energy: -1.498
local terms energy: -407.713499
where:
bonds (distance) C4'-P energy: -80.553
bonds (distance) P-C4' energy: -104.347
flat angles C4'-P-C4' energy: -91.387
flat angles P-C4'-P energy: -63.803
tors. eta vs tors. theta energy: -67.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -949.537280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.537280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.537280 (E_RNA)
where:
Base-Base interactions energy: -588.164
where: short stacking energy: -287.293
Base-Backbone interact. energy: 2.709
local terms energy: -364.081816
where:
bonds (distance) C4'-P energy: -75.622
bonds (distance) P-C4' energy: -96.690
flat angles C4'-P-C4' energy: -87.363
flat angles P-C4'-P energy: -45.345
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: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -517.524600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.524600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.524600 (E_RNA)
where:
Base-Base interactions energy: -236.129
where: short stacking energy: -151.793
Base-Backbone interact. energy: -0.924
local terms energy: -280.472019
where:
bonds (distance) C4'-P energy: -81.689
bonds (distance) P-C4' energy: -77.607
flat angles C4'-P-C4' energy: -76.008
flat angles P-C4'-P energy: -55.464
tors. eta vs tors. theta energy: 10.296
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: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1917.414861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.414861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.414861 (E_RNA)
where:
Base-Base interactions energy: -1301.498
where: short stacking energy: -575.004
Base-Backbone interact. energy: -1.996
local terms energy: -613.921806
where:
bonds (distance) C4'-P energy: -112.191
bonds (distance) P-C4' energy: -123.084
flat angles C4'-P-C4' energy: -117.071
flat angles P-C4'-P energy: -85.972
tors. eta vs tors. theta energy: -175.605
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: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1841.678042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.678042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.678042 (E_RNA)
where:
Base-Base interactions energy: -1260.407
where: short stacking energy: -560.213
Base-Backbone interact. energy: -1.629
local terms energy: -579.642029
where:
bonds (distance) C4'-P energy: -104.373
bonds (distance) P-C4' energy: -113.498
flat angles C4'-P-C4' energy: -110.823
flat angles P-C4'-P energy: -85.324
tors. eta vs tors. theta energy: -165.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1809.960587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.960587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.960587 (E_RNA)
where:
Base-Base interactions energy: -1243.164
where: short stacking energy: -524.370
Base-Backbone interact. energy: -3.509
local terms energy: -563.287096
where:
bonds (distance) C4'-P energy: -95.055
bonds (distance) P-C4' energy: -117.086
flat angles C4'-P-C4' energy: -121.109
flat angles P-C4'-P energy: -77.975
tors. eta vs tors. theta energy: -152.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1627.009386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.009386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.009386 (E_RNA)
where:
Base-Base interactions energy: -1100.672
where: short stacking energy: -463.898
Base-Backbone interact. energy: -1.523
local terms energy: -524.814331
where:
bonds (distance) C4'-P energy: -98.958
bonds (distance) P-C4' energy: -116.167
flat angles C4'-P-C4' energy: -106.579
flat angles P-C4'-P energy: -68.360
tors. eta vs tors. theta energy: -134.751
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: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1602.379818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.379818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.379818 (E_RNA)
where:
Base-Base interactions energy: -1107.477
where: short stacking energy: -472.447
Base-Backbone interact. energy: 3.668
local terms energy: -498.570256
where:
bonds (distance) C4'-P energy: -102.230
bonds (distance) P-C4' energy: -81.729
flat angles C4'-P-C4' energy: -105.815
flat angles P-C4'-P energy: -78.506
tors. eta vs tors. theta energy: -130.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1440.630193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.630193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.630193 (E_RNA)
where:
Base-Base interactions energy: -966.792
where: short stacking energy: -420.742
Base-Backbone interact. energy: -5.879
local terms energy: -467.959272
where:
bonds (distance) C4'-P energy: -82.756
bonds (distance) P-C4' energy: -108.714
flat angles C4'-P-C4' energy: -109.820
flat angles P-C4'-P energy: -54.608
tors. eta vs tors. theta energy: -112.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1280.274572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.274572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.274572 (E_RNA)
where:
Base-Base interactions energy: -855.943
where: short stacking energy: -363.611
Base-Backbone interact. energy: 2.622
local terms energy: -426.953521
where:
bonds (distance) C4'-P energy: -88.791
bonds (distance) P-C4' energy: -74.852
flat angles C4'-P-C4' energy: -108.847
flat angles P-C4'-P energy: -72.620
tors. eta vs tors. theta energy: -81.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1135.802413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.802413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.802413 (E_RNA)
where:
Base-Base interactions energy: -749.150
where: short stacking energy: -326.613
Base-Backbone interact. energy: 0.499
local terms energy: -387.151317
where:
bonds (distance) C4'-P energy: -87.397
bonds (distance) P-C4' energy: -88.854
flat angles C4'-P-C4' energy: -89.680
flat angles P-C4'-P energy: -52.898
tors. eta vs tors. theta energy: -68.323
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: 248
Temperature: 1.300000
Total energy: -975.731777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.731777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.731777 (E_RNA)
where:
Base-Base interactions energy: -591.266
where: short stacking energy: -276.591
Base-Backbone interact. energy: 0.179
local terms energy: -384.645655
where:
bonds (distance) C4'-P energy: -89.698
bonds (distance) P-C4' energy: -90.718
flat angles C4'-P-C4' energy: -93.887
flat angles P-C4'-P energy: -53.905
tors. eta vs tors. theta energy: -56.437
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: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -515.815972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.815972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.815972 (E_RNA)
where:
Base-Base interactions energy: -259.873
where: short stacking energy: -136.902
Base-Backbone interact. energy: -1.478
local terms energy: -254.464823
where:
bonds (distance) C4'-P energy: -99.130
bonds (distance) P-C4' energy: -61.050
flat angles C4'-P-C4' energy: -65.673
flat angles P-C4'-P energy: -40.955
tors. eta vs tors. theta energy: 12.344
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: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1880.542556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.542556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.542556 (E_RNA)
where:
Base-Base interactions energy: -1268.473
where: short stacking energy: -545.997
Base-Backbone interact. energy: -2.106
local terms energy: -609.963681
where:
bonds (distance) C4'-P energy: -120.905
bonds (distance) P-C4' energy: -121.949
flat angles C4'-P-C4' energy: -133.284
flat angles P-C4'-P energy: -79.960
tors. eta vs tors. theta energy: -153.865
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: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1855.562755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.562755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.562755 (E_RNA)
where:
Base-Base interactions energy: -1273.959
where: short stacking energy: -537.541
Base-Backbone interact. energy: -2.406
local terms energy: -579.198126
where:
bonds (distance) C4'-P energy: -110.115
bonds (distance) P-C4' energy: -105.038
flat angles C4'-P-C4' energy: -124.555
flat angles P-C4'-P energy: -78.753
tors. eta vs tors. theta energy: -160.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1816.677911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.677911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.677911 (E_RNA)
where:
Base-Base interactions energy: -1257.665
where: short stacking energy: -514.266
Base-Backbone interact. energy: -2.009
local terms energy: -557.003840
where:
bonds (distance) C4'-P energy: -106.353
bonds (distance) P-C4' energy: -102.772
flat angles C4'-P-C4' energy: -121.600
flat angles P-C4'-P energy: -82.940
tors. eta vs tors. theta energy: -143.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1641.984362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.984362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.984362 (E_RNA)
where:
Base-Base interactions energy: -1112.386
where: short stacking energy: -467.211
Base-Backbone interact. energy: -0.869
local terms energy: -528.729210
where:
bonds (distance) C4'-P energy: -105.576
bonds (distance) P-C4' energy: -105.006
flat angles C4'-P-C4' energy: -110.335
flat angles P-C4'-P energy: -72.569
tors. eta vs tors. theta energy: -135.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1567.240172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.240172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.240172 (E_RNA)
where:
Base-Base interactions energy: -1075.672
where: short stacking energy: -438.346
Base-Backbone interact. energy: -3.967
local terms energy: -487.600612
where:
bonds (distance) C4'-P energy: -94.619
bonds (distance) P-C4' energy: -87.709
flat angles C4'-P-C4' energy: -104.166
flat angles P-C4'-P energy: -75.495
tors. eta vs tors. theta energy: -125.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1469.389694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.389694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.389694 (E_RNA)
where:
Base-Base interactions energy: -998.780
where: short stacking energy: -433.263
Base-Backbone interact. energy: -1.286
local terms energy: -469.324436
where:
bonds (distance) C4'-P energy: -92.773
bonds (distance) P-C4' energy: -104.702
flat angles C4'-P-C4' energy: -102.048
flat angles P-C4'-P energy: -55.263
tors. eta vs tors. theta energy: -114.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1282.141571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.141571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.141571 (E_RNA)
where:
Base-Base interactions energy: -857.709
where: short stacking energy: -362.904
Base-Backbone interact. energy: 1.921
local terms energy: -426.353636
where:
bonds (distance) C4'-P energy: -81.281
bonds (distance) P-C4' energy: -114.559
flat angles C4'-P-C4' energy: -84.853
flat angles P-C4'-P energy: -67.749
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: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1045.066566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.066566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.066566 (E_RNA)
where:
Base-Base interactions energy: -667.132
where: short stacking energy: -301.825
Base-Backbone interact. energy: -0.332
local terms energy: -377.602962
where:
bonds (distance) C4'-P energy: -82.194
bonds (distance) P-C4' energy: -85.455
flat angles C4'-P-C4' energy: -98.082
flat angles P-C4'-P energy: -50.380
tors. eta vs tors. theta energy: -61.491
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: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1083.312606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.312606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.312606 (E_RNA)
where:
Base-Base interactions energy: -710.174
where: short stacking energy: -313.266
Base-Backbone interact. energy: 1.995
local terms energy: -375.134335
where:
bonds (distance) C4'-P energy: -74.325
bonds (distance) P-C4' energy: -91.503
flat angles C4'-P-C4' energy: -83.142
flat angles P-C4'-P energy: -56.427
tors. eta vs tors. theta energy: -69.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -552.627923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.627923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.627923 (E_RNA)
where:
Base-Base interactions energy: -257.419
where: short stacking energy: -164.686
Base-Backbone interact. energy: 4.990
local terms energy: -300.198886
where:
bonds (distance) C4'-P energy: -83.857
bonds (distance) P-C4' energy: -91.292
flat angles C4'-P-C4' energy: -87.055
flat angles P-C4'-P energy: -43.343
tors. eta vs tors. theta energy: 5.349
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: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1898.336140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.336140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.336140 (E_RNA)
where:
Base-Base interactions energy: -1334.105
where: short stacking energy: -573.380
Base-Backbone interact. energy: -1.447
local terms energy: -562.784170
where:
bonds (distance) C4'-P energy: -94.530
bonds (distance) P-C4' energy: -103.549
flat angles C4'-P-C4' energy: -125.415
flat angles P-C4'-P energy: -77.400
tors. eta vs tors. theta energy: -161.890
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: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1842.349822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.349822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.349822 (E_RNA)
where:
Base-Base interactions energy: -1266.910
where: short stacking energy: -543.245
Base-Backbone interact. energy: 0.973
local terms energy: -576.413104
where:
bonds (distance) C4'-P energy: -101.101
bonds (distance) P-C4' energy: -106.492
flat angles C4'-P-C4' energy: -119.278
flat angles P-C4'-P energy: -82.013
tors. eta vs tors. theta energy: -167.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1767.301433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.301433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.301433 (E_RNA)
where:
Base-Base interactions energy: -1228.689
where: short stacking energy: -531.412
Base-Backbone interact. energy: -3.154
local terms energy: -535.458381
where:
bonds (distance) C4'-P energy: -77.648
bonds (distance) P-C4' energy: -105.925
flat angles C4'-P-C4' energy: -122.239
flat angles P-C4'-P energy: -81.421
tors. eta vs tors. theta energy: -148.226
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: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1634.737413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.737413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.737413 (E_RNA)
where:
Base-Base interactions energy: -1089.998
where: short stacking energy: -483.285
Base-Backbone interact. energy: -0.482
local terms energy: -544.257764
where:
bonds (distance) C4'-P energy: -95.675
bonds (distance) P-C4' energy: -105.297
flat angles C4'-P-C4' energy: -119.449
flat angles P-C4'-P energy: -83.754
tors. eta vs tors. theta energy: -140.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1554.027788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.027788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.027788 (E_RNA)
where:
Base-Base interactions energy: -1044.257
where: short stacking energy: -454.345
Base-Backbone interact. energy: -3.203
local terms energy: -506.567814
where:
bonds (distance) C4'-P energy: -89.910
bonds (distance) P-C4' energy: -112.580
flat angles C4'-P-C4' energy: -111.198
flat angles P-C4'-P energy: -67.102
tors. eta vs tors. theta energy: -125.778
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: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1483.911682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.911682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.911682 (E_RNA)
where:
Base-Base interactions energy: -1019.027
where: short stacking energy: -401.253
Base-Backbone interact. energy: -3.717
local terms energy: -461.167323
where:
bonds (distance) C4'-P energy: -94.915
bonds (distance) P-C4' energy: -96.359
flat angles C4'-P-C4' energy: -91.301
flat angles P-C4'-P energy: -74.223
tors. eta vs tors. theta energy: -104.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1275.702863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.702863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.702863 (E_RNA)
where:
Base-Base interactions energy: -840.175
where: short stacking energy: -337.336
Base-Backbone interact. energy: -0.684
local terms energy: -434.843818
where:
bonds (distance) C4'-P energy: -88.524
bonds (distance) P-C4' energy: -82.592
flat angles C4'-P-C4' energy: -107.592
flat angles P-C4'-P energy: -71.281
tors. eta vs tors. theta energy: -84.856
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: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1039.547312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.547312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.547312 (E_RNA)
where:
Base-Base interactions energy: -678.232
where: short stacking energy: -323.875
Base-Backbone interact. energy: 2.351
local terms energy: -363.666304
where:
bonds (distance) C4'-P energy: -75.574
bonds (distance) P-C4' energy: -82.464
flat angles C4'-P-C4' energy: -80.999
flat angles P-C4'-P energy: -59.877
tors. eta vs tors. theta energy: -64.753
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: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1065.427936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.427936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.427936 (E_RNA)
where:
Base-Base interactions energy: -678.346
where: short stacking energy: -289.336
Base-Backbone interact. energy: 2.901
local terms energy: -389.983075
where:
bonds (distance) C4'-P energy: -78.824
bonds (distance) P-C4' energy: -84.557
flat angles C4'-P-C4' energy: -111.457
flat angles P-C4'-P energy: -60.843
tors. eta vs tors. theta energy: -54.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -567.312886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.312886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.312886 (E_RNA)
where:
Base-Base interactions energy: -272.489
where: short stacking energy: -157.940
Base-Backbone interact. energy: 3.566
local terms energy: -298.390215
where:
bonds (distance) C4'-P energy: -80.039
bonds (distance) P-C4' energy: -95.404
flat angles C4'-P-C4' energy: -92.267
flat angles P-C4'-P energy: -34.106
tors. eta vs tors. theta energy: 3.425
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: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1900.204784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.204784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.204784 (E_RNA)
where:
Base-Base interactions energy: -1296.627
where: short stacking energy: -527.905
Base-Backbone interact. energy: -1.102
local terms energy: -602.475509
where:
bonds (distance) C4'-P energy: -114.562
bonds (distance) P-C4' energy: -111.549
flat angles C4'-P-C4' energy: -117.691
flat angles P-C4'-P energy: -97.414
tors. eta vs tors. theta energy: -161.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1845.018967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.018967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.018967 (E_RNA)
where:
Base-Base interactions energy: -1249.608
where: short stacking energy: -557.228
Base-Backbone interact. energy: -2.293
local terms energy: -593.117433
where:
bonds (distance) C4'-P energy: -102.278
bonds (distance) P-C4' energy: -101.956
flat angles C4'-P-C4' energy: -127.441
flat angles P-C4'-P energy: -90.369
tors. eta vs tors. theta energy: -171.074
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: 251
Temperature: 1.000000
Total energy: -1773.815324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.815324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.815324 (E_RNA)
where:
Base-Base interactions energy: -1218.069
where: short stacking energy: -519.946
Base-Backbone interact. energy: -1.202
local terms energy: -554.544517
where:
bonds (distance) C4'-P energy: -101.747
bonds (distance) P-C4' energy: -99.481
flat angles C4'-P-C4' energy: -114.205
flat angles P-C4'-P energy: -85.388
tors. eta vs tors. theta energy: -153.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1593.199425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.199425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.199425 (E_RNA)
where:
Base-Base interactions energy: -1083.189
where: short stacking energy: -499.057
Base-Backbone interact. energy: 1.157
local terms energy: -511.166841
where:
bonds (distance) C4'-P energy: -94.106
bonds (distance) P-C4' energy: -80.025
flat angles C4'-P-C4' energy: -119.155
flat angles P-C4'-P energy: -81.090
tors. eta vs tors. theta energy: -136.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1560.193048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.193048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.193048 (E_RNA)
where:
Base-Base interactions energy: -1070.355
where: short stacking energy: -450.815
Base-Backbone interact. energy: -2.580
local terms energy: -487.258205
where:
bonds (distance) C4'-P energy: -92.739
bonds (distance) P-C4' energy: -92.843
flat angles C4'-P-C4' energy: -112.283
flat angles P-C4'-P energy: -72.540
tors. eta vs tors. theta energy: -116.853
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: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1473.030108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.030108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.030108 (E_RNA)
where:
Base-Base interactions energy: -1014.673
where: short stacking energy: -420.737
Base-Backbone interact. energy: -1.281
local terms energy: -457.075818
where:
bonds (distance) C4'-P energy: -88.261
bonds (distance) P-C4' energy: -100.302
flat angles C4'-P-C4' energy: -93.093
flat angles P-C4'-P energy: -66.817
tors. eta vs tors. theta energy: -108.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1280.472185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.472185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.472185 (E_RNA)
where:
Base-Base interactions energy: -847.637
where: short stacking energy: -361.767
Base-Backbone interact. energy: -1.118
local terms energy: -431.716557
where:
bonds (distance) C4'-P energy: -95.556
bonds (distance) P-C4' energy: -99.862
flat angles C4'-P-C4' energy: -88.604
flat angles P-C4'-P energy: -65.736
tors. eta vs tors. theta energy: -81.959
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: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1047.965319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.965319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.965319 (E_RNA)
where:
Base-Base interactions energy: -665.122
where: short stacking energy: -315.138
Base-Backbone interact. energy: 2.131
local terms energy: -384.975028
where:
bonds (distance) C4'-P energy: -93.082
bonds (distance) P-C4' energy: -77.824
flat angles C4'-P-C4' energy: -90.380
flat angles P-C4'-P energy: -71.135
tors. eta vs tors. theta energy: -52.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -986.072139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.072139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.072139 (E_RNA)
where:
Base-Base interactions energy: -613.930
where: short stacking energy: -275.673
Base-Backbone interact. energy: 6.931
local terms energy: -379.073286
where:
bonds (distance) C4'-P energy: -95.461
bonds (distance) P-C4' energy: -100.243
flat angles C4'-P-C4' energy: -78.847
flat angles P-C4'-P energy: -64.479
tors. eta vs tors. theta energy: -40.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -511.373249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.373249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.373249 (E_RNA)
where:
Base-Base interactions energy: -207.549
where: short stacking energy: -143.588
Base-Backbone interact. energy: -0.129
local terms energy: -303.695933
where:
bonds (distance) C4'-P energy: -71.442
bonds (distance) P-C4' energy: -98.758
flat angles C4'-P-C4' energy: -86.428
flat angles P-C4'-P energy: -54.446
tors. eta vs tors. theta energy: 7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1917.988130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.988130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.988130 (E_RNA)
where:
Base-Base interactions energy: -1310.383
where: short stacking energy: -594.304
Base-Backbone interact. energy: -0.461
local terms energy: -607.144515
where:
bonds (distance) C4'-P energy: -105.070
bonds (distance) P-C4' energy: -104.342
flat angles C4'-P-C4' energy: -133.895
flat angles P-C4'-P energy: -86.171
tors. eta vs tors. theta energy: -177.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1824.948898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.948898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.948898 (E_RNA)
where:
Base-Base interactions energy: -1243.726
where: short stacking energy: -560.821
Base-Backbone interact. energy: -2.047
local terms energy: -579.176148
where:
bonds (distance) C4'-P energy: -98.349
bonds (distance) P-C4' energy: -99.255
flat angles C4'-P-C4' energy: -130.812
flat angles P-C4'-P energy: -83.416
tors. eta vs tors. theta energy: -167.345
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: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1799.811726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.811726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.811726 (E_RNA)
where:
Base-Base interactions energy: -1218.907
where: short stacking energy: -512.483
Base-Backbone interact. energy: -3.777
local terms energy: -577.128469
where:
bonds (distance) C4'-P energy: -114.658
bonds (distance) P-C4' energy: -102.049
flat angles C4'-P-C4' energy: -117.174
flat angles P-C4'-P energy: -85.824
tors. eta vs tors. theta energy: -157.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1629.581793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.581793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.581793 (E_RNA)
where:
Base-Base interactions energy: -1107.355
where: short stacking energy: -491.467
Base-Backbone interact. energy: -3.348
local terms energy: -518.879267
where:
bonds (distance) C4'-P energy: -95.705
bonds (distance) P-C4' energy: -109.230
flat angles C4'-P-C4' energy: -109.499
flat angles P-C4'-P energy: -77.890
tors. eta vs tors. theta energy: -126.555
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: 1
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1514.502455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.502455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.502455 (E_RNA)
where:
Base-Base interactions energy: -1020.472
where: short stacking energy: -415.309
Base-Backbone interact. energy: -0.328
local terms energy: -493.702907
where:
bonds (distance) C4'-P energy: -86.271
bonds (distance) P-C4' energy: -96.604
flat angles C4'-P-C4' energy: -119.810
flat angles P-C4'-P energy: -74.925
tors. eta vs tors. theta energy: -116.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1466.571303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.571303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.571303 (E_RNA)
where:
Base-Base interactions energy: -1010.354
where: short stacking energy: -410.244
Base-Backbone interact. energy: -1.397
local terms energy: -454.820808
where:
bonds (distance) C4'-P energy: -92.538
bonds (distance) P-C4' energy: -83.578
flat angles C4'-P-C4' energy: -104.735
flat angles P-C4'-P energy: -62.993
tors. eta vs tors. theta energy: -110.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1300.394933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.394933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.394933 (E_RNA)
where:
Base-Base interactions energy: -847.743
where: short stacking energy: -371.289
Base-Backbone interact. energy: 0.460
local terms energy: -453.112102
where:
bonds (distance) C4'-P energy: -90.861
bonds (distance) P-C4' energy: -92.614
flat angles C4'-P-C4' energy: -104.692
flat angles P-C4'-P energy: -75.336
tors. eta vs tors. theta energy: -89.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1061.983445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.983445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.983445 (E_RNA)
where:
Base-Base interactions energy: -652.826
where: short stacking energy: -305.675
Base-Backbone interact. energy: 1.032
local terms energy: -410.189440
where:
bonds (distance) C4'-P energy: -104.588
bonds (distance) P-C4' energy: -114.079
flat angles C4'-P-C4' energy: -83.707
flat angles P-C4'-P energy: -51.716
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: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -979.792275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.792275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.792275 (E_RNA)
where:
Base-Base interactions energy: -582.718
where: short stacking energy: -279.104
Base-Backbone interact. energy: -1.848
local terms energy: -395.226363
where:
bonds (distance) C4'-P energy: -100.072
bonds (distance) P-C4' energy: -93.426
flat angles C4'-P-C4' energy: -90.870
flat angles P-C4'-P energy: -59.439
tors. eta vs tors. theta energy: -51.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -522.092942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.092942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.092942 (E_RNA)
where:
Base-Base interactions energy: -252.797
where: short stacking energy: -155.040
Base-Backbone interact. energy: -2.513
local terms energy: -266.782517
where:
bonds (distance) C4'-P energy: -67.714
bonds (distance) P-C4' energy: -95.117
flat angles C4'-P-C4' energy: -77.070
flat angles P-C4'-P energy: -45.239
tors. eta vs tors. theta energy: 18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1904.736127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.736127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.736127 (E_RNA)
where:
Base-Base interactions energy: -1305.941
where: short stacking energy: -579.233
Base-Backbone interact. energy: -3.333
local terms energy: -595.461673
where:
bonds (distance) C4'-P energy: -107.722
bonds (distance) P-C4' energy: -99.356
flat angles C4'-P-C4' energy: -126.281
flat angles P-C4'-P energy: -79.454
tors. eta vs tors. theta energy: -182.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1828.375201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.375201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.375201 (E_RNA)
where:
Base-Base interactions energy: -1235.382
where: short stacking energy: -558.045
Base-Backbone interact. energy: -1.500
local terms energy: -591.492705
where:
bonds (distance) C4'-P energy: -102.794
bonds (distance) P-C4' energy: -111.320
flat angles C4'-P-C4' energy: -119.842
flat angles P-C4'-P energy: -86.594
tors. eta vs tors. theta energy: -170.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1775.983627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.983627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.983627 (E_RNA)
where:
Base-Base interactions energy: -1214.518
where: short stacking energy: -544.967
Base-Backbone interact. energy: 6.036
local terms energy: -567.501217
where:
bonds (distance) C4'-P energy: -115.658
bonds (distance) P-C4' energy: -104.141
flat angles C4'-P-C4' energy: -117.884
flat angles P-C4'-P energy: -74.286
tors. eta vs tors. theta energy: -155.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1633.543045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.543045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.543045 (E_RNA)
where:
Base-Base interactions energy: -1113.782
where: short stacking energy: -455.549
Base-Backbone interact. energy: -1.195
local terms energy: -518.566024
where:
bonds (distance) C4'-P energy: -102.343
bonds (distance) P-C4' energy: -109.488
flat angles C4'-P-C4' energy: -119.297
flat angles P-C4'-P energy: -61.449
tors. eta vs tors. theta energy: -125.989
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: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1531.778756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.778756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.778756 (E_RNA)
where:
Base-Base interactions energy: -1037.103
where: short stacking energy: -435.596
Base-Backbone interact. energy: 1.147
local terms energy: -495.823196
where:
bonds (distance) C4'-P energy: -101.515
bonds (distance) P-C4' energy: -101.405
flat angles C4'-P-C4' energy: -101.466
flat angles P-C4'-P energy: -74.961
tors. eta vs tors. theta energy: -116.476
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: 253
Temperature: 1.150000
Total energy: -1452.145735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.145735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.145735 (E_RNA)
where:
Base-Base interactions energy: -983.498
where: short stacking energy: -428.030
Base-Backbone interact. energy: 1.957
local terms energy: -470.605350
where:
bonds (distance) C4'-P energy: -71.469
bonds (distance) P-C4' energy: -108.216
flat angles C4'-P-C4' energy: -94.910
flat angles P-C4'-P energy: -73.467
tors. eta vs tors. theta energy: -122.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1250.246008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.246008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.246008 (E_RNA)
where:
Base-Base interactions energy: -839.310
where: short stacking energy: -349.359
Base-Backbone interact. energy: 0.937
local terms energy: -411.873373
where:
bonds (distance) C4'-P energy: -94.411
bonds (distance) P-C4' energy: -94.968
flat angles C4'-P-C4' energy: -88.120
flat angles P-C4'-P energy: -59.221
tors. eta vs tors. theta energy: -75.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1098.167321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.167321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.167321 (E_RNA)
where:
Base-Base interactions energy: -697.944
where: short stacking energy: -309.636
Base-Backbone interact. energy: 12.188
local terms energy: -412.411414
where:
bonds (distance) C4'-P energy: -97.091
bonds (distance) P-C4' energy: -103.227
flat angles C4'-P-C4' energy: -95.197
flat angles P-C4'-P energy: -56.521
tors. eta vs tors. theta energy: -60.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -990.318893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.318893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.318893 (E_RNA)
where:
Base-Base interactions energy: -611.056
where: short stacking energy: -305.221
Base-Backbone interact. energy: -0.981
local terms energy: -378.281377
where:
bonds (distance) C4'-P energy: -95.352
bonds (distance) P-C4' energy: -80.264
flat angles C4'-P-C4' energy: -98.769
flat angles P-C4'-P energy: -50.470
tors. eta vs tors. theta energy: -53.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -539.301144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.301144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.301144 (E_RNA)
where:
Base-Base interactions energy: -244.380
where: short stacking energy: -164.809
Base-Backbone interact. energy: 1.837
local terms energy: -296.758330
where:
bonds (distance) C4'-P energy: -84.711
bonds (distance) P-C4' energy: -95.072
flat angles C4'-P-C4' energy: -78.781
flat angles P-C4'-P energy: -53.907
tors. eta vs tors. theta energy: 15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1905.133221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.133221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.133221 (E_RNA)
where:
Base-Base interactions energy: -1303.457
where: short stacking energy: -585.099
Base-Backbone interact. energy: -1.650
local terms energy: -600.026357
where:
bonds (distance) C4'-P energy: -115.728
bonds (distance) P-C4' energy: -104.728
flat angles C4'-P-C4' energy: -125.288
flat angles P-C4'-P energy: -82.610
tors. eta vs tors. theta energy: -171.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1835.367205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.367205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.367205 (E_RNA)
where:
Base-Base interactions energy: -1239.867
where: short stacking energy: -560.944
Base-Backbone interact. energy: -1.408
local terms energy: -594.092221
where:
bonds (distance) C4'-P energy: -114.043
bonds (distance) P-C4' energy: -105.507
flat angles C4'-P-C4' energy: -120.638
flat angles P-C4'-P energy: -75.077
tors. eta vs tors. theta energy: -178.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1761.696261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.696261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.696261 (E_RNA)
where:
Base-Base interactions energy: -1211.459
where: short stacking energy: -530.030
Base-Backbone interact. energy: -0.035
local terms energy: -550.202375
where:
bonds (distance) C4'-P energy: -94.112
bonds (distance) P-C4' energy: -101.197
flat angles C4'-P-C4' energy: -119.666
flat angles P-C4'-P energy: -78.831
tors. eta vs tors. theta energy: -156.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1674.680813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.680813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.680813 (E_RNA)
where:
Base-Base interactions energy: -1139.479
where: short stacking energy: -495.805
Base-Backbone interact. energy: -0.032
local terms energy: -535.170029
where:
bonds (distance) C4'-P energy: -104.975
bonds (distance) P-C4' energy: -102.907
flat angles C4'-P-C4' energy: -115.393
flat angles P-C4'-P energy: -75.423
tors. eta vs tors. theta energy: -136.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1558.762359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.762359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.762359 (E_RNA)
where:
Base-Base interactions energy: -1057.991
where: short stacking energy: -446.536
Base-Backbone interact. energy: -1.411
local terms energy: -499.360772
where:
bonds (distance) C4'-P energy: -97.606
bonds (distance) P-C4' energy: -107.914
flat angles C4'-P-C4' energy: -104.300
flat angles P-C4'-P energy: -73.156
tors. eta vs tors. theta energy: -116.385
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: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1475.258645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.258645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.258645 (E_RNA)
where:
Base-Base interactions energy: -1018.792
where: short stacking energy: -424.753
Base-Backbone interact. energy: 0.747
local terms energy: -457.213534
where:
bonds (distance) C4'-P energy: -77.663
bonds (distance) P-C4' energy: -85.124
flat angles C4'-P-C4' energy: -111.535
flat angles P-C4'-P energy: -77.015
tors. eta vs tors. theta energy: -105.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1286.889878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.889878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.889878 (E_RNA)
where:
Base-Base interactions energy: -863.434
where: short stacking energy: -383.198
Base-Backbone interact. energy: -3.304
local terms energy: -420.151750
where:
bonds (distance) C4'-P energy: -82.870
bonds (distance) P-C4' energy: -79.464
flat angles C4'-P-C4' energy: -100.929
flat angles P-C4'-P energy: -64.463
tors. eta vs tors. theta energy: -92.426
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: 8, replica: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1175.073768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.073768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.073768 (E_RNA)
where:
Base-Base interactions energy: -753.515
where: short stacking energy: -298.837
Base-Backbone interact. energy: -0.036
local terms energy: -421.522382
where:
bonds (distance) C4'-P energy: -100.304
bonds (distance) P-C4' energy: -95.312
flat angles C4'-P-C4' energy: -110.357
flat angles P-C4'-P energy: -42.996
tors. eta vs tors. theta energy: -72.553
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: 254
Temperature: 1.300000
Total energy: -975.629393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.629393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.629393 (E_RNA)
where:
Base-Base interactions energy: -603.319
where: short stacking energy: -280.328
Base-Backbone interact. energy: 2.771
local terms energy: -375.080789
where:
bonds (distance) C4'-P energy: -96.842
bonds (distance) P-C4' energy: -84.791
flat angles C4'-P-C4' energy: -86.027
flat angles P-C4'-P energy: -56.088
tors. eta vs tors. theta energy: -51.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -529.192502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.192502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.192502 (E_RNA)
where:
Base-Base interactions energy: -217.519
where: short stacking energy: -126.672
Base-Backbone interact. energy: 0.029
local terms energy: -311.702429
where:
bonds (distance) C4'-P energy: -87.747
bonds (distance) P-C4' energy: -85.162
flat angles C4'-P-C4' energy: -81.446
flat angles P-C4'-P energy: -59.818
tors. eta vs tors. theta energy: 2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1890.517129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.517129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.517129 (E_RNA)
where:
Base-Base interactions energy: -1283.345
where: short stacking energy: -565.845
Base-Backbone interact. energy: -2.771
local terms energy: -604.400713
where:
bonds (distance) C4'-P energy: -109.836
bonds (distance) P-C4' energy: -98.624
flat angles C4'-P-C4' energy: -131.109
flat angles P-C4'-P energy: -95.254
tors. eta vs tors. theta energy: -169.577
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: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1843.293502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.293502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.293502 (E_RNA)
where:
Base-Base interactions energy: -1254.955
where: short stacking energy: -554.503
Base-Backbone interact. energy: -4.247
local terms energy: -584.091553
where:
bonds (distance) C4'-P energy: -103.455
bonds (distance) P-C4' energy: -109.384
flat angles C4'-P-C4' energy: -119.599
flat angles P-C4'-P energy: -88.052
tors. eta vs tors. theta energy: -163.602
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: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1788.889778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.889778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.889778 (E_RNA)
where:
Base-Base interactions energy: -1221.368
where: short stacking energy: -530.354
Base-Backbone interact. energy: 0.335
local terms energy: -567.856320
where:
bonds (distance) C4'-P energy: -114.900
bonds (distance) P-C4' energy: -104.196
flat angles C4'-P-C4' energy: -109.809
flat angles P-C4'-P energy: -77.404
tors. eta vs tors. theta energy: -161.547
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: 255
Temperature: 1.050000
Total energy: -1701.880619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.880619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.880619 (E_RNA)
where:
Base-Base interactions energy: -1166.614
where: short stacking energy: -511.696
Base-Backbone interact. energy: -0.150
local terms energy: -535.116863
where:
bonds (distance) C4'-P energy: -97.141
bonds (distance) P-C4' energy: -100.814
flat angles C4'-P-C4' energy: -106.376
flat angles P-C4'-P energy: -75.756
tors. eta vs tors. theta energy: -155.031
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: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1549.389316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.389316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.389316 (E_RNA)
where:
Base-Base interactions energy: -1047.402
where: short stacking energy: -446.353
Base-Backbone interact. energy: -1.278
local terms energy: -500.709356
where:
bonds (distance) C4'-P energy: -94.550
bonds (distance) P-C4' energy: -99.305
flat angles C4'-P-C4' energy: -107.796
flat angles P-C4'-P energy: -74.789
tors. eta vs tors. theta energy: -124.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1483.589604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.589604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.589604 (E_RNA)
where:
Base-Base interactions energy: -1030.511
where: short stacking energy: -429.416
Base-Backbone interact. energy: 3.730
local terms energy: -456.807951
where:
bonds (distance) C4'-P energy: -85.518
bonds (distance) P-C4' energy: -102.802
flat angles C4'-P-C4' energy: -97.013
flat angles P-C4'-P energy: -67.144
tors. eta vs tors. theta energy: -104.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1280.442582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.442582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.442582 (E_RNA)
where:
Base-Base interactions energy: -859.652
where: short stacking energy: -393.721
Base-Backbone interact. energy: -1.007
local terms energy: -419.783529
where:
bonds (distance) C4'-P energy: -81.983
bonds (distance) P-C4' energy: -79.790
flat angles C4'-P-C4' energy: -88.954
flat angles P-C4'-P energy: -74.360
tors. eta vs tors. theta energy: -94.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1141.817570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.817570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.817570 (E_RNA)
where:
Base-Base interactions energy: -751.902
where: short stacking energy: -337.573
Base-Backbone interact. energy: -0.542
local terms energy: -389.374129
where:
bonds (distance) C4'-P energy: -83.485
bonds (distance) P-C4' energy: -85.508
flat angles C4'-P-C4' energy: -88.690
flat angles P-C4'-P energy: -66.957
tors. eta vs tors. theta energy: -64.734
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: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -886.386200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.386200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.386200 (E_RNA)
where:
Base-Base interactions energy: -527.683
where: short stacking energy: -252.100
Base-Backbone interact. energy: 3.978
local terms energy: -362.681397
where:
bonds (distance) C4'-P energy: -86.702
bonds (distance) P-C4' energy: -83.713
flat angles C4'-P-C4' energy: -94.649
flat angles P-C4'-P energy: -72.220
tors. eta vs tors. theta energy: -25.397
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: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -608.909752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.909752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.909752 (E_RNA)
where:
Base-Base interactions energy: -276.173
where: short stacking energy: -166.088
Base-Backbone interact. energy: -0.750
local terms energy: -331.987145
where:
bonds (distance) C4'-P energy: -93.998
bonds (distance) P-C4' energy: -90.108
flat angles C4'-P-C4' energy: -83.463
flat angles P-C4'-P energy: -64.103
tors. eta vs tors. theta energy: -0.315
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: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1891.170601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.170601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.170601 (E_RNA)
where:
Base-Base interactions energy: -1280.952
where: short stacking energy: -592.155
Base-Backbone interact. energy: -0.531
local terms energy: -609.688046
where:
bonds (distance) C4'-P energy: -105.883
bonds (distance) P-C4' energy: -112.850
flat angles C4'-P-C4' energy: -126.324
flat angles P-C4'-P energy: -84.684
tors. eta vs tors. theta energy: -179.946
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: 5
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1833.051390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.051390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.051390 (E_RNA)
where:
Base-Base interactions energy: -1249.448
where: short stacking energy: -555.894
Base-Backbone interact. energy: -1.262
local terms energy: -582.340418
where:
bonds (distance) C4'-P energy: -99.245
bonds (distance) P-C4' energy: -107.958
flat angles C4'-P-C4' energy: -120.167
flat angles P-C4'-P energy: -85.540
tors. eta vs tors. theta energy: -169.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1774.341926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.341926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.341926 (E_RNA)
where:
Base-Base interactions energy: -1217.033
where: short stacking energy: -532.278
Base-Backbone interact. energy: -0.710
local terms energy: -556.598716
where:
bonds (distance) C4'-P energy: -105.912
bonds (distance) P-C4' energy: -97.982
flat angles C4'-P-C4' energy: -121.732
flat angles P-C4'-P energy: -81.894
tors. eta vs tors. theta energy: -149.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1688.664254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.664254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.664254 (E_RNA)
where:
Base-Base interactions energy: -1159.186
where: short stacking energy: -505.901
Base-Backbone interact. energy: -1.620
local terms energy: -527.858769
where:
bonds (distance) C4'-P energy: -93.251
bonds (distance) P-C4' energy: -103.375
flat angles C4'-P-C4' energy: -114.481
flat angles P-C4'-P energy: -74.113
tors. eta vs tors. theta energy: -142.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1557.597738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.597738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.597738 (E_RNA)
where:
Base-Base interactions energy: -1075.150
where: short stacking energy: -458.160
Base-Backbone interact. energy: -1.840
local terms energy: -480.607129
where:
bonds (distance) C4'-P energy: -100.992
bonds (distance) P-C4' energy: -83.832
flat angles C4'-P-C4' energy: -102.530
flat angles P-C4'-P energy: -68.058
tors. eta vs tors. theta energy: -125.195
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: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1530.612364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.612364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.612364 (E_RNA)
where:
Base-Base interactions energy: -1034.942
where: short stacking energy: -419.049
Base-Backbone interact. energy: -0.244
local terms energy: -495.426980
where:
bonds (distance) C4'-P energy: -100.161
bonds (distance) P-C4' energy: -96.272
flat angles C4'-P-C4' energy: -112.801
flat angles P-C4'-P energy: -75.989
tors. eta vs tors. theta energy: -110.205
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: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1279.894688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.894688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.894688 (E_RNA)
where:
Base-Base interactions energy: -855.030
where: short stacking energy: -350.536
Base-Backbone interact. energy: 3.622
local terms energy: -428.486512
where:
bonds (distance) C4'-P energy: -82.723
bonds (distance) P-C4' energy: -104.797
flat angles C4'-P-C4' energy: -85.973
flat angles P-C4'-P energy: -71.089
tors. eta vs tors. theta energy: -83.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1224.719540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.719540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.719540 (E_RNA)
where:
Base-Base interactions energy: -823.016
where: short stacking energy: -368.993
Base-Backbone interact. energy: 8.223
local terms energy: -409.926984
where:
bonds (distance) C4'-P energy: -94.400
bonds (distance) P-C4' energy: -76.293
flat angles C4'-P-C4' energy: -97.025
flat angles P-C4'-P energy: -66.617
tors. eta vs tors. theta energy: -75.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -837.899246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.899246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.899246 (E_RNA)
where:
Base-Base interactions energy: -497.361
where: short stacking energy: -232.083
Base-Backbone interact. energy: -0.011
local terms energy: -340.527088
where:
bonds (distance) C4'-P energy: -88.753
bonds (distance) P-C4' energy: -86.545
flat angles C4'-P-C4' energy: -80.115
flat angles P-C4'-P energy: -46.382
tors. eta vs tors. theta energy: -38.733
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: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -635.140313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.140313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.140313 (E_RNA)
where:
Base-Base interactions energy: -330.496
where: short stacking energy: -188.732
Base-Backbone interact. energy: -0.328
local terms energy: -304.315969
where:
bonds (distance) C4'-P energy: -92.622
bonds (distance) P-C4' energy: -97.437
flat angles C4'-P-C4' energy: -69.877
flat angles P-C4'-P energy: -30.574
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1916.780245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.780245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.780245 (E_RNA)
where:
Base-Base interactions energy: -1303.920
where: short stacking energy: -580.368
Base-Backbone interact. energy: -1.799
local terms energy: -611.060986
where:
bonds (distance) C4'-P energy: -111.759
bonds (distance) P-C4' energy: -116.738
flat angles C4'-P-C4' energy: -124.648
flat angles P-C4'-P energy: -82.908
tors. eta vs tors. theta energy: -175.009
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: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1830.329065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.329065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.329065 (E_RNA)
where:
Base-Base interactions energy: -1244.465
where: short stacking energy: -542.550
Base-Backbone interact. energy: 1.057
local terms energy: -586.921492
where:
bonds (distance) C4'-P energy: -103.751
bonds (distance) P-C4' energy: -115.170
flat angles C4'-P-C4' energy: -118.583
flat angles P-C4'-P energy: -78.543
tors. eta vs tors. theta energy: -170.875
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: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1784.745476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.745476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.745476 (E_RNA)
where:
Base-Base interactions energy: -1210.106
where: short stacking energy: -522.857
Base-Backbone interact. energy: -0.301
local terms energy: -574.338122
where:
bonds (distance) C4'-P energy: -109.754
bonds (distance) P-C4' energy: -115.048
flat angles C4'-P-C4' energy: -114.587
flat angles P-C4'-P energy: -80.370
tors. eta vs tors. theta energy: -154.580
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: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1688.343314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.343314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.343314 (E_RNA)
where:
Base-Base interactions energy: -1139.620
where: short stacking energy: -504.291
Base-Backbone interact. energy: -0.283
local terms energy: -548.440423
where:
bonds (distance) C4'-P energy: -93.269
bonds (distance) P-C4' energy: -108.540
flat angles C4'-P-C4' energy: -103.099
flat angles P-C4'-P energy: -89.081
tors. eta vs tors. theta energy: -154.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1552.653547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.653547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.653547 (E_RNA)
where:
Base-Base interactions energy: -1049.797
where: short stacking energy: -463.100
Base-Backbone interact. energy: 0.443
local terms energy: -503.298917
where:
bonds (distance) C4'-P energy: -91.101
bonds (distance) P-C4' energy: -95.341
flat angles C4'-P-C4' energy: -104.011
flat angles P-C4'-P energy: -74.654
tors. eta vs tors. theta energy: -138.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1477.515039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.515039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.515039 (E_RNA)
where:
Base-Base interactions energy: -1017.248
where: short stacking energy: -416.086
Base-Backbone interact. energy: -2.201
local terms energy: -458.066013
where:
bonds (distance) C4'-P energy: -91.881
bonds (distance) P-C4' energy: -104.557
flat angles C4'-P-C4' energy: -107.052
flat angles P-C4'-P energy: -55.615
tors. eta vs tors. theta energy: -98.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1315.880419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.880419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.880419 (E_RNA)
where:
Base-Base interactions energy: -892.485
where: short stacking energy: -402.811
Base-Backbone interact. energy: -1.147
local terms energy: -422.248826
where:
bonds (distance) C4'-P energy: -89.130
bonds (distance) P-C4' energy: -84.743
flat angles C4'-P-C4' energy: -97.502
flat angles P-C4'-P energy: -56.866
tors. eta vs tors. theta energy: -94.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1203.086809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.086809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.086809 (E_RNA)
where:
Base-Base interactions energy: -754.295
where: short stacking energy: -354.214
Base-Backbone interact. energy: 0.897
local terms energy: -449.688176
where:
bonds (distance) C4'-P energy: -92.268
bonds (distance) P-C4' energy: -97.794
flat angles C4'-P-C4' energy: -97.511
flat angles P-C4'-P energy: -58.474
tors. eta vs tors. theta energy: -103.641
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: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -904.238027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.238027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.238027 (E_RNA)
where:
Base-Base interactions energy: -568.812
where: short stacking energy: -289.093
Base-Backbone interact. energy: -1.172
local terms energy: -334.253315
where:
bonds (distance) C4'-P energy: -76.513
bonds (distance) P-C4' energy: -79.882
flat angles C4'-P-C4' energy: -77.411
flat angles P-C4'-P energy: -55.402
tors. eta vs tors. theta energy: -45.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -594.100587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.100587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.100587 (E_RNA)
where:
Base-Base interactions energy: -300.165
where: short stacking energy: -182.092
Base-Backbone interact. energy: -1.292
local terms energy: -292.642919
where:
bonds (distance) C4'-P energy: -76.104
bonds (distance) P-C4' energy: -84.750
flat angles C4'-P-C4' energy: -81.128
flat angles P-C4'-P energy: -36.001
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1923.230981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.230981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.230981 (E_RNA)
where:
Base-Base interactions energy: -1324.322
where: short stacking energy: -589.737
Base-Backbone interact. energy: -0.353
local terms energy: -598.555628
where:
bonds (distance) C4'-P energy: -103.132
bonds (distance) P-C4' energy: -102.579
flat angles C4'-P-C4' energy: -123.341
flat angles P-C4'-P energy: -88.303
tors. eta vs tors. theta energy: -181.201
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: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1840.810820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.810820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.810820 (E_RNA)
where:
Base-Base interactions energy: -1241.844
where: short stacking energy: -552.429
Base-Backbone interact. energy: -0.805
local terms energy: -598.161709
where:
bonds (distance) C4'-P energy: -110.521
bonds (distance) P-C4' energy: -115.788
flat angles C4'-P-C4' energy: -123.242
flat angles P-C4'-P energy: -89.784
tors. eta vs tors. theta energy: -158.827
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: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1789.721451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.721451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.721451 (E_RNA)
where:
Base-Base interactions energy: -1236.129
where: short stacking energy: -542.841
Base-Backbone interact. energy: -1.241
local terms energy: -552.350940
where:
bonds (distance) C4'-P energy: -99.541
bonds (distance) P-C4' energy: -100.189
flat angles C4'-P-C4' energy: -122.213
flat angles P-C4'-P energy: -69.984
tors. eta vs tors. theta energy: -160.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1684.043200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.043200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.043200 (E_RNA)
where:
Base-Base interactions energy: -1146.167
where: short stacking energy: -498.022
Base-Backbone interact. energy: 0.538
local terms energy: -538.414026
where:
bonds (distance) C4'-P energy: -106.070
bonds (distance) P-C4' energy: -98.930
flat angles C4'-P-C4' energy: -108.482
flat angles P-C4'-P energy: -75.983
tors. eta vs tors. theta energy: -148.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1543.280278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.280278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.280278 (E_RNA)
where:
Base-Base interactions energy: -1041.194
where: short stacking energy: -429.817
Base-Backbone interact. energy: 2.663
local terms energy: -504.749045
where:
bonds (distance) C4'-P energy: -101.957
bonds (distance) P-C4' energy: -108.488
flat angles C4'-P-C4' energy: -111.859
flat angles P-C4'-P energy: -66.728
tors. eta vs tors. theta energy: -115.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1482.270219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.270219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.270219 (E_RNA)
where:
Base-Base interactions energy: -987.407
where: short stacking energy: -421.421
Base-Backbone interact. energy: -0.380
local terms energy: -494.483327
where:
bonds (distance) C4'-P energy: -104.953
bonds (distance) P-C4' energy: -105.190
flat angles C4'-P-C4' energy: -103.991
flat angles P-C4'-P energy: -71.995
tors. eta vs tors. theta energy: -108.353
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: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1344.801315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.801315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.801315 (E_RNA)
where:
Base-Base interactions energy: -881.376
where: short stacking energy: -369.924
Base-Backbone interact. energy: -2.365
local terms energy: -461.060394
where:
bonds (distance) C4'-P energy: -108.871
bonds (distance) P-C4' energy: -106.229
flat angles C4'-P-C4' energy: -106.328
flat angles P-C4'-P energy: -58.354
tors. eta vs tors. theta energy: -81.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1180.706690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.706690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.706690 (E_RNA)
where:
Base-Base interactions energy: -753.921
where: short stacking energy: -322.311
Base-Backbone interact. energy: -1.401
local terms energy: -425.384643
where:
bonds (distance) C4'-P energy: -92.005
bonds (distance) P-C4' energy: -98.792
flat angles C4'-P-C4' energy: -103.297
flat angles P-C4'-P energy: -61.160
tors. eta vs tors. theta energy: -70.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -989.964346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.964346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.964346 (E_RNA)
where:
Base-Base interactions energy: -586.670
where: short stacking energy: -285.612
Base-Backbone interact. energy: -1.495
local terms energy: -401.799721
where:
bonds (distance) C4'-P energy: -97.562
bonds (distance) P-C4' energy: -105.085
flat angles C4'-P-C4' energy: -83.285
flat angles P-C4'-P energy: -58.772
tors. eta vs tors. theta energy: -57.095
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: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -588.583861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.583861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.583861 (E_RNA)
where:
Base-Base interactions energy: -282.524
where: short stacking energy: -148.348
Base-Backbone interact. energy: -0.076
local terms energy: -305.984072
where:
bonds (distance) C4'-P energy: -86.197
bonds (distance) P-C4' energy: -76.163
flat angles C4'-P-C4' energy: -83.424
flat angles P-C4'-P energy: -54.430
tors. eta vs tors. theta energy: -5.770
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: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1931.366102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.366102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.366102 (E_RNA)
where:
Base-Base interactions energy: -1308.903
where: short stacking energy: -566.683
Base-Backbone interact. energy: -2.194
local terms energy: -620.269710
where:
bonds (distance) C4'-P energy: -104.536
bonds (distance) P-C4' energy: -118.926
flat angles C4'-P-C4' energy: -132.341
flat angles P-C4'-P energy: -86.533
tors. eta vs tors. theta energy: -177.933
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: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1836.069760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.069760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.069760 (E_RNA)
where:
Base-Base interactions energy: -1256.646
where: short stacking energy: -556.236
Base-Backbone interact. energy: -0.778
local terms energy: -578.645774
where:
bonds (distance) C4'-P energy: -103.049
bonds (distance) P-C4' energy: -114.844
flat angles C4'-P-C4' energy: -123.713
flat angles P-C4'-P energy: -73.088
tors. eta vs tors. theta energy: -163.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1771.886679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.886679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.886679 (E_RNA)
where:
Base-Base interactions energy: -1220.053
where: short stacking energy: -541.710
Base-Backbone interact. energy: -1.913
local terms energy: -549.919934
where:
bonds (distance) C4'-P energy: -93.349
bonds (distance) P-C4' energy: -100.787
flat angles C4'-P-C4' energy: -119.441
flat angles P-C4'-P energy: -76.924
tors. eta vs tors. theta energy: -159.418
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: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1671.364328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.364328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.364328 (E_RNA)
where:
Base-Base interactions energy: -1146.851
where: short stacking energy: -485.336
Base-Backbone interact. energy: -1.489
local terms energy: -523.024303
where:
bonds (distance) C4'-P energy: -98.864
bonds (distance) P-C4' energy: -100.423
flat angles C4'-P-C4' energy: -111.596
flat angles P-C4'-P energy: -75.858
tors. eta vs tors. theta energy: -136.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1534.717414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.717414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.717414 (E_RNA)
where:
Base-Base interactions energy: -1047.017
where: short stacking energy: -434.704
Base-Backbone interact. energy: -1.410
local terms energy: -486.290386
where:
bonds (distance) C4'-P energy: -106.232
bonds (distance) P-C4' energy: -101.899
flat angles C4'-P-C4' energy: -110.137
flat angles P-C4'-P energy: -43.139
tors. eta vs tors. theta energy: -124.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1488.397894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.397894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.397894 (E_RNA)
where:
Base-Base interactions energy: -1002.154
where: short stacking energy: -439.830
Base-Backbone interact. energy: -5.228
local terms energy: -481.015488
where:
bonds (distance) C4'-P energy: -93.178
bonds (distance) P-C4' energy: -101.668
flat angles C4'-P-C4' energy: -117.247
flat angles P-C4'-P energy: -56.728
tors. eta vs tors. theta energy: -112.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1298.239002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.239002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.239002 (E_RNA)
where:
Base-Base interactions energy: -862.086
where: short stacking energy: -371.801
Base-Backbone interact. energy: -1.722
local terms energy: -434.431356
where:
bonds (distance) C4'-P energy: -90.985
bonds (distance) P-C4' energy: -97.398
flat angles C4'-P-C4' energy: -87.151
flat angles P-C4'-P energy: -61.232
tors. eta vs tors. theta energy: -97.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1193.997083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.997083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.997083 (E_RNA)
where:
Base-Base interactions energy: -768.803
where: short stacking energy: -335.785
Base-Backbone interact. energy: -0.103
local terms energy: -425.090847
where:
bonds (distance) C4'-P energy: -92.871
bonds (distance) P-C4' energy: -96.127
flat angles C4'-P-C4' energy: -92.818
flat angles P-C4'-P energy: -67.578
tors. eta vs tors. theta energy: -75.697
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: 259
Temperature: 1.300000
Total energy: -928.799936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.799936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.799936 (E_RNA)
where:
Base-Base interactions energy: -576.627
where: short stacking energy: -271.690
Base-Backbone interact. energy: -0.258
local terms energy: -351.915442
where:
bonds (distance) C4'-P energy: -98.330
bonds (distance) P-C4' energy: -76.186
flat angles C4'-P-C4' energy: -78.307
flat angles P-C4'-P energy: -51.736
tors. eta vs tors. theta energy: -47.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -563.554378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.554378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.554378 (E_RNA)
where:
Base-Base interactions energy: -262.075
where: short stacking energy: -154.067
Base-Backbone interact. energy: 0.003
local terms energy: -301.482411
where:
bonds (distance) C4'-P energy: -91.749
bonds (distance) P-C4' energy: -94.927
flat angles C4'-P-C4' energy: -72.553
flat angles P-C4'-P energy: -46.605
tors. eta vs tors. theta energy: 4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1905.842976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.842976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.842976 (E_RNA)
where:
Base-Base interactions energy: -1295.008
where: short stacking energy: -568.588
Base-Backbone interact. energy: -2.624
local terms energy: -608.211020
where:
bonds (distance) C4'-P energy: -108.631
bonds (distance) P-C4' energy: -111.641
flat angles C4'-P-C4' energy: -117.985
flat angles P-C4'-P energy: -94.914
tors. eta vs tors. theta energy: -175.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1841.627014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.627014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.627014 (E_RNA)
where:
Base-Base interactions energy: -1288.721
where: short stacking energy: -556.692
Base-Backbone interact. energy: -4.304
local terms energy: -548.602353
where:
bonds (distance) C4'-P energy: -108.711
bonds (distance) P-C4' energy: -77.400
flat angles C4'-P-C4' energy: -120.617
flat angles P-C4'-P energy: -75.951
tors. eta vs tors. theta energy: -165.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1767.345823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.345823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.345823 (E_RNA)
where:
Base-Base interactions energy: -1222.336
where: short stacking energy: -519.061
Base-Backbone interact. energy: -3.087
local terms energy: -541.922985
where:
bonds (distance) C4'-P energy: -103.647
bonds (distance) P-C4' energy: -85.165
flat angles C4'-P-C4' energy: -121.958
flat angles P-C4'-P energy: -77.724
tors. eta vs tors. theta energy: -153.430
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: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1648.280196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.280196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.280196 (E_RNA)
where:
Base-Base interactions energy: -1139.875
where: short stacking energy: -480.484
Base-Backbone interact. energy: -0.944
local terms energy: -507.461878
where:
bonds (distance) C4'-P energy: -100.663
bonds (distance) P-C4' energy: -95.984
flat angles C4'-P-C4' energy: -114.856
flat angles P-C4'-P energy: -70.465
tors. eta vs tors. theta energy: -125.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1551.374843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.374843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.374843 (E_RNA)
where:
Base-Base interactions energy: -1079.191
where: short stacking energy: -456.122
Base-Backbone interact. energy: -1.396
local terms energy: -470.787390
where:
bonds (distance) C4'-P energy: -101.902
bonds (distance) P-C4' energy: -84.572
flat angles C4'-P-C4' energy: -100.006
flat angles P-C4'-P energy: -65.760
tors. eta vs tors. theta energy: -118.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1448.909637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.909637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.909637 (E_RNA)
where:
Base-Base interactions energy: -997.240
where: short stacking energy: -417.468
Base-Backbone interact. energy: 1.741
local terms energy: -453.410832
where:
bonds (distance) C4'-P energy: -92.721
bonds (distance) P-C4' energy: -87.122
flat angles C4'-P-C4' energy: -114.425
flat angles P-C4'-P energy: -55.936
tors. eta vs tors. theta energy: -103.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1206.577687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.577687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.577687 (E_RNA)
where:
Base-Base interactions energy: -782.909
where: short stacking energy: -361.163
Base-Backbone interact. energy: -0.197
local terms energy: -423.471093
where:
bonds (distance) C4'-P energy: -101.303
bonds (distance) P-C4' energy: -91.436
flat angles C4'-P-C4' energy: -75.104
flat angles P-C4'-P energy: -68.854
tors. eta vs tors. theta energy: -86.773
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: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1273.080717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.080717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.080717 (E_RNA)
where:
Base-Base interactions energy: -846.880
where: short stacking energy: -367.728
Base-Backbone interact. energy: 0.966
local terms energy: -427.167357
where:
bonds (distance) C4'-P energy: -88.480
bonds (distance) P-C4' energy: -94.679
flat angles C4'-P-C4' energy: -94.888
flat angles P-C4'-P energy: -60.875
tors. eta vs tors. theta energy: -88.245
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: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -979.312998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.312998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.312998 (E_RNA)
where:
Base-Base interactions energy: -606.116
where: short stacking energy: -270.858
Base-Backbone interact. energy: -0.318
local terms energy: -372.879016
where:
bonds (distance) C4'-P energy: -107.092
bonds (distance) P-C4' energy: -94.782
flat angles C4'-P-C4' energy: -78.901
flat angles P-C4'-P energy: -53.324
tors. eta vs tors. theta energy: -38.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -584.108296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.108296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.108296 (E_RNA)
where:
Base-Base interactions energy: -300.114
where: short stacking energy: -172.315
Base-Backbone interact. energy: -0.424
local terms energy: -283.570679
where:
bonds (distance) C4'-P energy: -80.995
bonds (distance) P-C4' energy: -84.614
flat angles C4'-P-C4' energy: -75.427
flat angles P-C4'-P energy: -45.347
tors. eta vs tors. theta energy: 2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1898.972555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.972555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.972555 (E_RNA)
where:
Base-Base interactions energy: -1297.698
where: short stacking energy: -555.694
Base-Backbone interact. energy: -2.175
local terms energy: -599.100039
where:
bonds (distance) C4'-P energy: -103.300
bonds (distance) P-C4' energy: -111.404
flat angles C4'-P-C4' energy: -121.381
flat angles P-C4'-P energy: -92.974
tors. eta vs tors. theta energy: -170.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1843.242926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.242926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.242926 (E_RNA)
where:
Base-Base interactions energy: -1281.229
where: short stacking energy: -542.699
Base-Backbone interact. energy: 0.754
local terms energy: -562.767674
where:
bonds (distance) C4'-P energy: -96.973
bonds (distance) P-C4' energy: -97.534
flat angles C4'-P-C4' energy: -122.136
flat angles P-C4'-P energy: -86.786
tors. eta vs tors. theta energy: -159.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1754.960379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.960379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.960379 (E_RNA)
where:
Base-Base interactions energy: -1189.052
where: short stacking energy: -537.135
Base-Backbone interact. energy: -3.011
local terms energy: -562.897291
where:
bonds (distance) C4'-P energy: -91.014
bonds (distance) P-C4' energy: -113.709
flat angles C4'-P-C4' energy: -119.049
flat angles P-C4'-P energy: -89.845
tors. eta vs tors. theta energy: -149.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1686.971999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.971999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.971999 (E_RNA)
where:
Base-Base interactions energy: -1152.196
where: short stacking energy: -514.111
Base-Backbone interact. energy: -1.350
local terms energy: -533.426509
where:
bonds (distance) C4'-P energy: -84.550
bonds (distance) P-C4' energy: -96.144
flat angles C4'-P-C4' energy: -126.353
flat angles P-C4'-P energy: -85.508
tors. eta vs tors. theta energy: -140.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1592.189537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.189537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.189537 (E_RNA)
where:
Base-Base interactions energy: -1073.126
where: short stacking energy: -446.975
Base-Backbone interact. energy: -4.597
local terms energy: -514.466640
where:
bonds (distance) C4'-P energy: -111.439
bonds (distance) P-C4' energy: -88.282
flat angles C4'-P-C4' energy: -119.039
flat angles P-C4'-P energy: -74.818
tors. eta vs tors. theta energy: -120.888
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: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1440.456630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.456630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.456630 (E_RNA)
where:
Base-Base interactions energy: -993.959
where: short stacking energy: -411.946
Base-Backbone interact. energy: 2.467
local terms energy: -448.963741
where:
bonds (distance) C4'-P energy: -89.529
bonds (distance) P-C4' energy: -80.532
flat angles C4'-P-C4' energy: -102.878
flat angles P-C4'-P energy: -62.000
tors. eta vs tors. theta energy: -114.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1232.652219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.652219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.652219 (E_RNA)
where:
Base-Base interactions energy: -813.096
where: short stacking energy: -375.844
Base-Backbone interact. energy: -0.347
local terms energy: -419.209111
where:
bonds (distance) C4'-P energy: -92.934
bonds (distance) P-C4' energy: -65.108
flat angles C4'-P-C4' energy: -94.284
flat angles P-C4'-P energy: -76.343
tors. eta vs tors. theta energy: -90.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1165.882584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.882584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.882584 (E_RNA)
where:
Base-Base interactions energy: -749.870
where: short stacking energy: -333.656
Base-Backbone interact. energy: 0.992
local terms energy: -417.004575
where:
bonds (distance) C4'-P energy: -104.349
bonds (distance) P-C4' energy: -85.322
flat angles C4'-P-C4' energy: -100.564
flat angles P-C4'-P energy: -57.462
tors. eta vs tors. theta energy: -69.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -974.285326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.285326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.285326 (E_RNA)
where:
Base-Base interactions energy: -614.228
where: short stacking energy: -284.219
Base-Backbone interact. energy: -1.322
local terms energy: -358.735695
where:
bonds (distance) C4'-P energy: -89.076
bonds (distance) P-C4' energy: -83.576
flat angles C4'-P-C4' energy: -78.894
flat angles P-C4'-P energy: -49.317
tors. eta vs tors. theta energy: -57.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -590.072029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.072029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.072029 (E_RNA)
where:
Base-Base interactions energy: -338.978
where: short stacking energy: -189.649
Base-Backbone interact. energy: -1.875
local terms energy: -249.219087
where:
bonds (distance) C4'-P energy: -86.416
bonds (distance) P-C4' energy: -74.915
flat angles C4'-P-C4' energy: -68.892
flat angles P-C4'-P energy: -27.009
tors. eta vs tors. theta energy: 8.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1916.851607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.851607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.851607 (E_RNA)
where:
Base-Base interactions energy: -1304.630
where: short stacking energy: -566.941
Base-Backbone interact. energy: -4.283
local terms energy: -607.938319
where:
bonds (distance) C4'-P energy: -121.359
bonds (distance) P-C4' energy: -119.912
flat angles C4'-P-C4' energy: -126.444
flat angles P-C4'-P energy: -82.424
tors. eta vs tors. theta energy: -157.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1848.710800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.710800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.710800 (E_RNA)
where:
Base-Base interactions energy: -1233.885
where: short stacking energy: -551.783
Base-Backbone interact. energy: -3.545
local terms energy: -611.280760
where:
bonds (distance) C4'-P energy: -110.569
bonds (distance) P-C4' energy: -114.825
flat angles C4'-P-C4' energy: -119.907
flat angles P-C4'-P energy: -93.841
tors. eta vs tors. theta energy: -172.139
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: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1806.030166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.030166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.030166 (E_RNA)
where:
Base-Base interactions energy: -1214.699
where: short stacking energy: -537.768
Base-Backbone interact. energy: -1.738
local terms energy: -589.593595
where:
bonds (distance) C4'-P energy: -101.366
bonds (distance) P-C4' energy: -113.162
flat angles C4'-P-C4' energy: -125.211
flat angles P-C4'-P energy: -90.139
tors. eta vs tors. theta energy: -159.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1722.425369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.425369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.425369 (E_RNA)
where:
Base-Base interactions energy: -1160.586
where: short stacking energy: -506.882
Base-Backbone interact. energy: -2.593
local terms energy: -559.246187
where:
bonds (distance) C4'-P energy: -112.421
bonds (distance) P-C4' energy: -109.093
flat angles C4'-P-C4' energy: -117.444
flat angles P-C4'-P energy: -72.336
tors. eta vs tors. theta energy: -147.953
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: 5, replica: 1
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1606.264128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.264128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.264128 (E_RNA)
where:
Base-Base interactions energy: -1099.994
where: short stacking energy: -459.711
Base-Backbone interact. energy: 0.153
local terms energy: -506.423435
where:
bonds (distance) C4'-P energy: -98.593
bonds (distance) P-C4' energy: -111.246
flat angles C4'-P-C4' energy: -112.702
flat angles P-C4'-P energy: -63.235
tors. eta vs tors. theta energy: -120.648
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: 6, replica: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1415.526695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.526695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.526695 (E_RNA)
where:
Base-Base interactions energy: -963.570
where: short stacking energy: -415.344
Base-Backbone interact. energy: 0.717
local terms energy: -452.673197
where:
bonds (distance) C4'-P energy: -100.657
bonds (distance) P-C4' energy: -80.514
flat angles C4'-P-C4' energy: -94.193
flat angles P-C4'-P energy: -72.879
tors. eta vs tors. theta energy: -104.431
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: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1336.033678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.033678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.033678 (E_RNA)
where:
Base-Base interactions energy: -877.684
where: short stacking energy: -385.479
Base-Backbone interact. energy: 0.861
local terms energy: -459.210808
where:
bonds (distance) C4'-P energy: -98.548
bonds (distance) P-C4' energy: -105.762
flat angles C4'-P-C4' energy: -92.186
flat angles P-C4'-P energy: -58.646
tors. eta vs tors. theta energy: -104.068
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: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1147.247832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.247832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.247832 (E_RNA)
where:
Base-Base interactions energy: -749.608
where: short stacking energy: -329.833
Base-Backbone interact. energy: 5.092
local terms energy: -402.731510
where:
bonds (distance) C4'-P energy: -72.222
bonds (distance) P-C4' energy: -97.952
flat angles C4'-P-C4' energy: -113.080
flat angles P-C4'-P energy: -62.959
tors. eta vs tors. theta energy: -56.519
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: 262
Temperature: 1.300000
Total energy: -945.425990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.425990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.425990 (E_RNA)
where:
Base-Base interactions energy: -587.622
where: short stacking energy: -302.255
Base-Backbone interact. energy: 0.509
local terms energy: -358.312915
where:
bonds (distance) C4'-P energy: -74.846
bonds (distance) P-C4' energy: -80.888
flat angles C4'-P-C4' energy: -103.079
flat angles P-C4'-P energy: -41.684
tors. eta vs tors. theta energy: -57.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -622.283987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.283987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.283987 (E_RNA)
where:
Base-Base interactions energy: -316.226
where: short stacking energy: -187.740
Base-Backbone interact. energy: -1.678
local terms energy: -304.380037
where:
bonds (distance) C4'-P energy: -79.862
bonds (distance) P-C4' energy: -93.963
flat angles C4'-P-C4' energy: -93.123
flat angles P-C4'-P energy: -34.403
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1914.462669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.462669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.462669 (E_RNA)
where:
Base-Base interactions energy: -1314.238
where: short stacking energy: -560.744
Base-Backbone interact. energy: 3.634
local terms energy: -603.858165
where:
bonds (distance) C4'-P energy: -107.200
bonds (distance) P-C4' energy: -119.548
flat angles C4'-P-C4' energy: -127.735
flat angles P-C4'-P energy: -90.192
tors. eta vs tors. theta energy: -159.183
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: 2, replica: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1867.987715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.987715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.987715 (E_RNA)
where:
Base-Base interactions energy: -1270.955
where: short stacking energy: -548.197
Base-Backbone interact. energy: -2.944
local terms energy: -594.089298
where:
bonds (distance) C4'-P energy: -102.598
bonds (distance) P-C4' energy: -116.819
flat angles C4'-P-C4' energy: -117.112
flat angles P-C4'-P energy: -80.878
tors. eta vs tors. theta energy: -176.682
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: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1810.318411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.318411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.318411 (E_RNA)
where:
Base-Base interactions energy: -1254.494
where: short stacking energy: -556.666
Base-Backbone interact. energy: -3.074
local terms energy: -552.750910
where:
bonds (distance) C4'-P energy: -99.483
bonds (distance) P-C4' energy: -92.055
flat angles C4'-P-C4' energy: -119.314
flat angles P-C4'-P energy: -79.389
tors. eta vs tors. theta energy: -162.509
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: 263
Temperature: 1.050000
Total energy: -1654.762007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.762007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.762007 (E_RNA)
where:
Base-Base interactions energy: -1102.203
where: short stacking energy: -470.859
Base-Backbone interact. energy: -4.335
local terms energy: -548.224172
where:
bonds (distance) C4'-P energy: -111.404
bonds (distance) P-C4' energy: -110.255
flat angles C4'-P-C4' energy: -111.588
flat angles P-C4'-P energy: -82.408
tors. eta vs tors. theta energy: -132.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1632.529917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.529917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.529917 (E_RNA)
where:
Base-Base interactions energy: -1127.298
where: short stacking energy: -474.781
Base-Backbone interact. energy: -0.459
local terms energy: -504.773467
where:
bonds (distance) C4'-P energy: -89.362
bonds (distance) P-C4' energy: -105.727
flat angles C4'-P-C4' energy: -92.876
flat angles P-C4'-P energy: -80.692
tors. eta vs tors. theta energy: -136.117
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: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1431.272937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.272937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.272937 (E_RNA)
where:
Base-Base interactions energy: -974.305
where: short stacking energy: -396.192
Base-Backbone interact. energy: 1.262
local terms energy: -458.230102
where:
bonds (distance) C4'-P energy: -93.613
bonds (distance) P-C4' energy: -110.080
flat angles C4'-P-C4' energy: -100.147
flat angles P-C4'-P energy: -56.916
tors. eta vs tors. theta energy: -97.474
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: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1307.970610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.970610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.970610 (E_RNA)
where:
Base-Base interactions energy: -847.859
where: short stacking energy: -385.412
Base-Backbone interact. energy: -0.246
local terms energy: -459.865158
where:
bonds (distance) C4'-P energy: -80.919
bonds (distance) P-C4' energy: -106.649
flat angles C4'-P-C4' energy: -95.219
flat angles P-C4'-P energy: -75.204
tors. eta vs tors. theta energy: -101.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1176.042333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.042333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.042333 (E_RNA)
where:
Base-Base interactions energy: -758.691
where: short stacking energy: -344.421
Base-Backbone interact. energy: -2.262
local terms energy: -415.089742
where:
bonds (distance) C4'-P energy: -87.019
bonds (distance) P-C4' energy: -82.593
flat angles C4'-P-C4' energy: -103.343
flat angles P-C4'-P energy: -65.413
tors. eta vs tors. theta energy: -76.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -985.910715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.910715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.910715 (E_RNA)
where:
Base-Base interactions energy: -611.281
where: short stacking energy: -280.431
Base-Backbone interact. energy: -1.508
local terms energy: -373.121385
where:
bonds (distance) C4'-P energy: -89.297
bonds (distance) P-C4' energy: -83.405
flat angles C4'-P-C4' energy: -74.999
flat angles P-C4'-P energy: -61.764
tors. eta vs tors. theta energy: -63.657
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: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -557.066918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.066918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.066918 (E_RNA)
where:
Base-Base interactions energy: -275.806
where: short stacking energy: -167.672
Base-Backbone interact. energy: 0.140
local terms energy: -281.400306
where:
bonds (distance) C4'-P energy: -94.658
bonds (distance) P-C4' energy: -102.673
flat angles C4'-P-C4' energy: -59.159
flat angles P-C4'-P energy: -40.601
tors. eta vs tors. theta energy: 15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1893.027992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.027992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.027992 (E_RNA)
where:
Base-Base interactions energy: -1281.396
where: short stacking energy: -555.481
Base-Backbone interact. energy: -1.301
local terms energy: -610.331155
where:
bonds (distance) C4'-P energy: -115.420
bonds (distance) P-C4' energy: -119.186
flat angles C4'-P-C4' energy: -121.614
flat angles P-C4'-P energy: -85.025
tors. eta vs tors. theta energy: -169.086
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: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1859.925433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.925433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.925433 (E_RNA)
where:
Base-Base interactions energy: -1288.691
where: short stacking energy: -546.281
Base-Backbone interact. energy: -1.573
local terms energy: -569.661425
where:
bonds (distance) C4'-P energy: -95.024
bonds (distance) P-C4' energy: -109.976
flat angles C4'-P-C4' energy: -123.159
flat angles P-C4'-P energy: -70.011
tors. eta vs tors. theta energy: -171.492
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: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1786.457142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.457142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.457142 (E_RNA)
where:
Base-Base interactions energy: -1214.809
where: short stacking energy: -540.031
Base-Backbone interact. energy: -3.068
local terms energy: -568.579747
where:
bonds (distance) C4'-P energy: -104.450
bonds (distance) P-C4' energy: -111.190
flat angles C4'-P-C4' energy: -120.550
flat angles P-C4'-P energy: -79.569
tors. eta vs tors. theta energy: -152.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1677.223894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.223894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.223894 (E_RNA)
where:
Base-Base interactions energy: -1103.306
where: short stacking energy: -492.862
Base-Backbone interact. energy: -0.864
local terms energy: -573.054226
where:
bonds (distance) C4'-P energy: -107.090
bonds (distance) P-C4' energy: -118.239
flat angles C4'-P-C4' energy: -109.230
flat angles P-C4'-P energy: -87.201
tors. eta vs tors. theta energy: -151.293
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: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1624.991550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.991550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.991550 (E_RNA)
where:
Base-Base interactions energy: -1109.804
where: short stacking energy: -488.743
Base-Backbone interact. energy: 0.868
local terms energy: -516.055672
where:
bonds (distance) C4'-P energy: -90.794
bonds (distance) P-C4' energy: -105.639
flat angles C4'-P-C4' energy: -106.376
flat angles P-C4'-P energy: -76.103
tors. eta vs tors. theta energy: -137.144
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: 264
Temperature: 1.150000
Total energy: -1535.021597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.021597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.021597 (E_RNA)
where:
Base-Base interactions energy: -1043.620
where: short stacking energy: -472.839
Base-Backbone interact. energy: 1.340
local terms energy: -492.741394
where:
bonds (distance) C4'-P energy: -96.031
bonds (distance) P-C4' energy: -86.937
flat angles C4'-P-C4' energy: -114.008
flat angles P-C4'-P energy: -69.756
tors. eta vs tors. theta energy: -126.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1310.265705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.265705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.265705 (E_RNA)
where:
Base-Base interactions energy: -846.905
where: short stacking energy: -364.633
Base-Backbone interact. energy: 2.226
local terms energy: -465.587257
where:
bonds (distance) C4'-P energy: -93.884
bonds (distance) P-C4' energy: -105.205
flat angles C4'-P-C4' energy: -101.431
flat angles P-C4'-P energy: -66.969
tors. eta vs tors. theta energy: -98.099
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: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1164.402117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.402117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.402117 (E_RNA)
where:
Base-Base interactions energy: -767.070
where: short stacking energy: -334.358
Base-Backbone interact. energy: 0.557
local terms energy: -397.888904
where:
bonds (distance) C4'-P energy: -79.270
bonds (distance) P-C4' energy: -100.512
flat angles C4'-P-C4' energy: -76.785
flat angles P-C4'-P energy: -76.119
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: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -891.027643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.027643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.027643 (E_RNA)
where:
Base-Base interactions energy: -566.426
where: short stacking energy: -254.277
Base-Backbone interact. energy: 0.038
local terms energy: -324.639595
where:
bonds (distance) C4'-P energy: -87.389
bonds (distance) P-C4' energy: -75.036
flat angles C4'-P-C4' energy: -86.851
flat angles P-C4'-P energy: -51.051
tors. eta vs tors. theta energy: -24.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -589.299446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.299446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.299446 (E_RNA)
where:
Base-Base interactions energy: -324.069
where: short stacking energy: -180.931
Base-Backbone interact. energy: 1.624
local terms energy: -266.853899
where:
bonds (distance) C4'-P energy: -81.392
bonds (distance) P-C4' energy: -75.806
flat angles C4'-P-C4' energy: -70.071
flat angles P-C4'-P energy: -40.551
tors. eta vs tors. theta energy: 0.966
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: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1914.025151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.025151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.025151 (E_RNA)
where:
Base-Base interactions energy: -1307.189
where: short stacking energy: -571.026
Base-Backbone interact. energy: -1.905
local terms energy: -604.930990
where:
bonds (distance) C4'-P energy: -108.251
bonds (distance) P-C4' energy: -119.005
flat angles C4'-P-C4' energy: -119.906
flat angles P-C4'-P energy: -81.881
tors. eta vs tors. theta energy: -175.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1833.552136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.552136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.552136 (E_RNA)
where:
Base-Base interactions energy: -1267.038
where: short stacking energy: -550.150
Base-Backbone interact. energy: -2.084
local terms energy: -564.429558
where:
bonds (distance) C4'-P energy: -90.441
bonds (distance) P-C4' energy: -101.028
flat angles C4'-P-C4' energy: -126.306
flat angles P-C4'-P energy: -82.475
tors. eta vs tors. theta energy: -164.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1776.520827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.520827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.520827 (E_RNA)
where:
Base-Base interactions energy: -1214.617
where: short stacking energy: -516.268
Base-Backbone interact. energy: -0.996
local terms energy: -560.907742
where:
bonds (distance) C4'-P energy: -93.655
bonds (distance) P-C4' energy: -114.765
flat angles C4'-P-C4' energy: -123.347
flat angles P-C4'-P energy: -85.007
tors. eta vs tors. theta energy: -144.134
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: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1641.398626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.398626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.398626 (E_RNA)
where:
Base-Base interactions energy: -1112.855
where: short stacking energy: -476.785
Base-Backbone interact. energy: -1.969
local terms energy: -526.574127
where:
bonds (distance) C4'-P energy: -107.649
bonds (distance) P-C4' energy: -98.580
flat angles C4'-P-C4' energy: -119.769
flat angles P-C4'-P energy: -74.796
tors. eta vs tors. theta energy: -125.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1582.225112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.225112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.225112 (E_RNA)
where:
Base-Base interactions energy: -1050.238
where: short stacking energy: -431.927
Base-Backbone interact. energy: -1.111
local terms energy: -530.875771
where:
bonds (distance) C4'-P energy: -99.494
bonds (distance) P-C4' energy: -117.620
flat angles C4'-P-C4' energy: -107.575
flat angles P-C4'-P energy: -73.010
tors. eta vs tors. theta energy: -133.178
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: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1478.593885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.593885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.593885 (E_RNA)
where:
Base-Base interactions energy: -987.841
where: short stacking energy: -426.067
Base-Backbone interact. energy: -1.444
local terms energy: -489.309012
where:
bonds (distance) C4'-P energy: -102.604
bonds (distance) P-C4' energy: -111.460
flat angles C4'-P-C4' energy: -105.663
flat angles P-C4'-P energy: -58.391
tors. eta vs tors. theta energy: -111.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1257.777985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.777985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.777985 (E_RNA)
where:
Base-Base interactions energy: -805.683
where: short stacking energy: -340.137
Base-Backbone interact. energy: 1.697
local terms energy: -453.791688
where:
bonds (distance) C4'-P energy: -97.014
bonds (distance) P-C4' energy: -112.171
flat angles C4'-P-C4' energy: -94.531
flat angles P-C4'-P energy: -54.497
tors. eta vs tors. theta energy: -95.579
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: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1145.734112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.734112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.734112 (E_RNA)
where:
Base-Base interactions energy: -735.687
where: short stacking energy: -333.502
Base-Backbone interact. energy: 3.900
local terms energy: -413.946635
where:
bonds (distance) C4'-P energy: -83.887
bonds (distance) P-C4' energy: -103.308
flat angles C4'-P-C4' energy: -99.621
flat angles P-C4'-P energy: -55.409
tors. eta vs tors. theta energy: -71.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -864.943586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.943586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.943586 (E_RNA)
where:
Base-Base interactions energy: -531.440
where: short stacking energy: -239.221
Base-Backbone interact. energy: 3.039
local terms energy: -336.542900
where:
bonds (distance) C4'-P energy: -100.243
bonds (distance) P-C4' energy: -84.820
flat angles C4'-P-C4' energy: -78.453
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -25.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -568.074733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.074733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.074733 (E_RNA)
where:
Base-Base interactions energy: -319.313
where: short stacking energy: -161.915
Base-Backbone interact. energy: -0.533
local terms energy: -248.228831
where:
bonds (distance) C4'-P energy: -60.550
bonds (distance) P-C4' energy: -94.939
flat angles C4'-P-C4' energy: -68.874
flat angles P-C4'-P energy: -36.318
tors. eta vs tors. theta energy: 12.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1902.912290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.912290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.912290 (E_RNA)
where:
Base-Base interactions energy: -1296.656
where: short stacking energy: -573.341
Base-Backbone interact. energy: -0.498
local terms energy: -605.757911
where:
bonds (distance) C4'-P energy: -98.535
bonds (distance) P-C4' energy: -106.781
flat angles C4'-P-C4' energy: -129.378
flat angles P-C4'-P energy: -88.862
tors. eta vs tors. theta energy: -182.203
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: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1837.404095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.404095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.404095 (E_RNA)
where:
Base-Base interactions energy: -1261.438
where: short stacking energy: -543.922
Base-Backbone interact. energy: -2.186
local terms energy: -573.779925
where:
bonds (distance) C4'-P energy: -113.545
bonds (distance) P-C4' energy: -103.716
flat angles C4'-P-C4' energy: -124.284
flat angles P-C4'-P energy: -73.861
tors. eta vs tors. theta energy: -158.373
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: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1792.873761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.873761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.873761 (E_RNA)
where:
Base-Base interactions energy: -1230.304
where: short stacking energy: -525.226
Base-Backbone interact. energy: -3.449
local terms energy: -559.120995
where:
bonds (distance) C4'-P energy: -115.651
bonds (distance) P-C4' energy: -100.016
flat angles C4'-P-C4' energy: -118.364
flat angles P-C4'-P energy: -73.534
tors. eta vs tors. theta energy: -151.556
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: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1651.857034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.857034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.857034 (E_RNA)
where:
Base-Base interactions energy: -1139.322
where: short stacking energy: -476.874
Base-Backbone interact. energy: 1.099
local terms energy: -513.634203
where:
bonds (distance) C4'-P energy: -92.821
bonds (distance) P-C4' energy: -88.845
flat angles C4'-P-C4' energy: -110.487
flat angles P-C4'-P energy: -83.270
tors. eta vs tors. theta energy: -138.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1593.689939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.689939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.689939 (E_RNA)
where:
Base-Base interactions energy: -1071.374
where: short stacking energy: -469.349
Base-Backbone interact. energy: 1.523
local terms energy: -523.838451
where:
bonds (distance) C4'-P energy: -96.469
bonds (distance) P-C4' energy: -111.908
flat angles C4'-P-C4' energy: -106.173
flat angles P-C4'-P energy: -72.315
tors. eta vs tors. theta energy: -136.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1491.375303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.375303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.375303 (E_RNA)
where:
Base-Base interactions energy: -995.918
where: short stacking energy: -435.010
Base-Backbone interact. energy: -1.406
local terms energy: -494.051131
where:
bonds (distance) C4'-P energy: -99.913
bonds (distance) P-C4' energy: -110.256
flat angles C4'-P-C4' energy: -104.586
flat angles P-C4'-P energy: -65.481
tors. eta vs tors. theta energy: -113.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1286.160178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.160178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.160178 (E_RNA)
where:
Base-Base interactions energy: -834.998
where: short stacking energy: -367.269
Base-Backbone interact. energy: -5.527
local terms energy: -445.635259
where:
bonds (distance) C4'-P energy: -97.290
bonds (distance) P-C4' energy: -76.243
flat angles C4'-P-C4' energy: -106.275
flat angles P-C4'-P energy: -75.395
tors. eta vs tors. theta energy: -90.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1156.821727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.821727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.821727 (E_RNA)
where:
Base-Base interactions energy: -748.687
where: short stacking energy: -330.974
Base-Backbone interact. energy: -2.682
local terms energy: -405.452690
where:
bonds (distance) C4'-P energy: -86.506
bonds (distance) P-C4' energy: -91.605
flat angles C4'-P-C4' energy: -79.118
flat angles P-C4'-P energy: -71.092
tors. eta vs tors. theta energy: -77.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -886.723854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.723854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.723854 (E_RNA)
where:
Base-Base interactions energy: -532.807
where: short stacking energy: -247.579
Base-Backbone interact. energy: -1.019
local terms energy: -352.897565
where:
bonds (distance) C4'-P energy: -87.488
bonds (distance) P-C4' energy: -89.506
flat angles C4'-P-C4' energy: -90.834
flat angles P-C4'-P energy: -46.455
tors. eta vs tors. theta energy: -38.614
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: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -622.058318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.058318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.058318 (E_RNA)
where:
Base-Base interactions energy: -302.885
where: short stacking energy: -161.687
Base-Backbone interact. energy: 4.353
local terms energy: -323.526847
where:
bonds (distance) C4'-P energy: -95.339
bonds (distance) P-C4' energy: -91.806
flat angles C4'-P-C4' energy: -69.388
flat angles P-C4'-P energy: -56.791
tors. eta vs tors. theta energy: -10.203
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: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1900.189908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.189908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.189908 (E_RNA)
where:
Base-Base interactions energy: -1322.563
where: short stacking energy: -577.925
Base-Backbone interact. energy: -1.348
local terms energy: -576.279083
where:
bonds (distance) C4'-P energy: -115.926
bonds (distance) P-C4' energy: -103.338
flat angles C4'-P-C4' energy: -117.822
flat angles P-C4'-P energy: -71.809
tors. eta vs tors. theta energy: -167.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1846.642364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.642364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.642364 (E_RNA)
where:
Base-Base interactions energy: -1259.720
where: short stacking energy: -541.966
Base-Backbone interact. energy: -2.429
local terms energy: -584.493796
where:
bonds (distance) C4'-P energy: -110.592
bonds (distance) P-C4' energy: -104.626
flat angles C4'-P-C4' energy: -120.072
flat angles P-C4'-P energy: -88.354
tors. eta vs tors. theta energy: -160.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1788.527467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.527467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.527467 (E_RNA)
where:
Base-Base interactions energy: -1230.502
where: short stacking energy: -512.296
Base-Backbone interact. energy: -2.748
local terms energy: -555.276998
where:
bonds (distance) C4'-P energy: -105.640
bonds (distance) P-C4' energy: -105.115
flat angles C4'-P-C4' energy: -122.822
flat angles P-C4'-P energy: -65.884
tors. eta vs tors. theta energy: -155.815
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: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1661.742963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.742963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.742963 (E_RNA)
where:
Base-Base interactions energy: -1130.395
where: short stacking energy: -476.261
Base-Backbone interact. energy: -2.503
local terms energy: -528.845507
where:
bonds (distance) C4'-P energy: -97.356
bonds (distance) P-C4' energy: -96.553
flat angles C4'-P-C4' energy: -112.423
flat angles P-C4'-P energy: -76.155
tors. eta vs tors. theta energy: -146.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1587.491531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.491531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.491531 (E_RNA)
where:
Base-Base interactions energy: -1077.401
where: short stacking energy: -450.524
Base-Backbone interact. energy: -1.192
local terms energy: -508.898177
where:
bonds (distance) C4'-P energy: -99.699
bonds (distance) P-C4' energy: -107.101
flat angles C4'-P-C4' energy: -109.130
flat angles P-C4'-P energy: -66.264
tors. eta vs tors. theta energy: -126.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1489.171600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.171600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.171600 (E_RNA)
where:
Base-Base interactions energy: -1019.828
where: short stacking energy: -449.040
Base-Backbone interact. energy: 1.377
local terms energy: -470.720006
where:
bonds (distance) C4'-P energy: -66.636
bonds (distance) P-C4' energy: -99.704
flat angles C4'-P-C4' energy: -111.270
flat angles P-C4'-P energy: -67.649
tors. eta vs tors. theta energy: -125.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1285.040540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.040540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.040540 (E_RNA)
where:
Base-Base interactions energy: -841.849
where: short stacking energy: -380.937
Base-Backbone interact. energy: -1.827
local terms energy: -441.364980
where:
bonds (distance) C4'-P energy: -98.143
bonds (distance) P-C4' energy: -98.244
flat angles C4'-P-C4' energy: -91.556
flat angles P-C4'-P energy: -62.467
tors. eta vs tors. theta energy: -90.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1149.847281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.847281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.847281 (E_RNA)
where:
Base-Base interactions energy: -757.598
where: short stacking energy: -312.053
Base-Backbone interact. energy: -1.334
local terms energy: -390.915795
where:
bonds (distance) C4'-P energy: -86.800
bonds (distance) P-C4' energy: -86.279
flat angles C4'-P-C4' energy: -82.916
flat angles P-C4'-P energy: -73.346
tors. eta vs tors. theta energy: -61.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -916.352439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.352439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.352439 (E_RNA)
where:
Base-Base interactions energy: -546.298
where: short stacking energy: -237.129
Base-Backbone interact. energy: 0.221
local terms energy: -370.275368
where:
bonds (distance) C4'-P energy: -92.593
bonds (distance) P-C4' energy: -103.560
flat angles C4'-P-C4' energy: -78.545
flat angles P-C4'-P energy: -58.979
tors. eta vs tors. theta energy: -36.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -547.727939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.727939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.727939 (E_RNA)
where:
Base-Base interactions energy: -278.448
where: short stacking energy: -166.036
Base-Backbone interact. energy: 2.475
local terms energy: -271.754887
where:
bonds (distance) C4'-P energy: -75.164
bonds (distance) P-C4' energy: -73.538
flat angles C4'-P-C4' energy: -82.777
flat angles P-C4'-P energy: -44.747
tors. eta vs tors. theta energy: 4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1917.827543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.827543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.827543 (E_RNA)
where:
Base-Base interactions energy: -1317.415
where: short stacking energy: -572.854
Base-Backbone interact. energy: -2.195
local terms energy: -598.217872
where:
bonds (distance) C4'-P energy: -107.935
bonds (distance) P-C4' energy: -109.341
flat angles C4'-P-C4' energy: -125.805
flat angles P-C4'-P energy: -88.345
tors. eta vs tors. theta energy: -166.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1843.737241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.737241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.737241 (E_RNA)
where:
Base-Base interactions energy: -1251.051
where: short stacking energy: -541.355
Base-Backbone interact. energy: -4.979
local terms energy: -587.706514
where:
bonds (distance) C4'-P energy: -105.011
bonds (distance) P-C4' energy: -107.157
flat angles C4'-P-C4' energy: -123.562
flat angles P-C4'-P energy: -84.232
tors. eta vs tors. theta energy: -167.744
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: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1804.829044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.829044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.829044 (E_RNA)
where:
Base-Base interactions energy: -1233.508
where: short stacking energy: -520.502
Base-Backbone interact. energy: -4.437
local terms energy: -566.884476
where:
bonds (distance) C4'-P energy: -100.444
bonds (distance) P-C4' energy: -108.283
flat angles C4'-P-C4' energy: -120.037
flat angles P-C4'-P energy: -81.707
tors. eta vs tors. theta energy: -156.413
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: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1675.274287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.274287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.274287 (E_RNA)
where:
Base-Base interactions energy: -1158.566
where: short stacking energy: -487.100
Base-Backbone interact. energy: -2.066
local terms energy: -514.642408
where:
bonds (distance) C4'-P energy: -89.459
bonds (distance) P-C4' energy: -111.274
flat angles C4'-P-C4' energy: -115.881
flat angles P-C4'-P energy: -65.189
tors. eta vs tors. theta energy: -132.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1550.353497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.353497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.353497 (E_RNA)
where:
Base-Base interactions energy: -1041.664
where: short stacking energy: -470.260
Base-Backbone interact. energy: -0.632
local terms energy: -508.058106
where:
bonds (distance) C4'-P energy: -107.665
bonds (distance) P-C4' energy: -109.461
flat angles C4'-P-C4' energy: -93.192
flat angles P-C4'-P energy: -69.260
tors. eta vs tors. theta energy: -128.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1437.656946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.656946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.656946 (E_RNA)
where:
Base-Base interactions energy: -958.617
where: short stacking energy: -387.476
Base-Backbone interact. energy: 0.038
local terms energy: -479.077376
where:
bonds (distance) C4'-P energy: -111.433
bonds (distance) P-C4' energy: -107.730
flat angles C4'-P-C4' energy: -99.986
flat angles P-C4'-P energy: -69.235
tors. eta vs tors. theta energy: -90.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1275.575997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.575997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.575997 (E_RNA)
where:
Base-Base interactions energy: -845.234
where: short stacking energy: -362.469
Base-Backbone interact. energy: 2.732
local terms energy: -433.074528
where:
bonds (distance) C4'-P energy: -84.415
bonds (distance) P-C4' energy: -89.930
flat angles C4'-P-C4' energy: -108.932
flat angles P-C4'-P energy: -71.405
tors. eta vs tors. theta energy: -78.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1161.991560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.991560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.991560 (E_RNA)
where:
Base-Base interactions energy: -769.836
where: short stacking energy: -335.087
Base-Backbone interact. energy: -1.404
local terms energy: -390.752036
where:
bonds (distance) C4'-P energy: -75.839
bonds (distance) P-C4' energy: -77.273
flat angles C4'-P-C4' energy: -98.020
flat angles P-C4'-P energy: -58.410
tors. eta vs tors. theta energy: -81.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -876.426934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.426934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.426934 (E_RNA)
where:
Base-Base interactions energy: -534.653
where: short stacking energy: -241.270
Base-Backbone interact. energy: -2.738
local terms energy: -339.035926
where:
bonds (distance) C4'-P energy: -88.773
bonds (distance) P-C4' energy: -87.560
flat angles C4'-P-C4' energy: -96.023
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: -24.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -551.119736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.119736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.119736 (E_RNA)
where:
Base-Base interactions energy: -263.753
where: short stacking energy: -174.810
Base-Backbone interact. energy: -1.786
local terms energy: -285.580342
where:
bonds (distance) C4'-P energy: -93.258
bonds (distance) P-C4' energy: -91.975
flat angles C4'-P-C4' energy: -76.840
flat angles P-C4'-P energy: -28.078
tors. eta vs tors. theta energy: 4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1905.694575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.694575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.694575 (E_RNA)
where:
Base-Base interactions energy: -1330.014
where: short stacking energy: -574.876
Base-Backbone interact. energy: -4.489
local terms energy: -571.191178
where:
bonds (distance) C4'-P energy: -95.993
bonds (distance) P-C4' energy: -105.752
flat angles C4'-P-C4' energy: -126.535
flat angles P-C4'-P energy: -76.851
tors. eta vs tors. theta energy: -166.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1845.852531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.852531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.852531 (E_RNA)
where:
Base-Base interactions energy: -1258.595
where: short stacking energy: -541.525
Base-Backbone interact. energy: -3.125
local terms energy: -584.133109
where:
bonds (distance) C4'-P energy: -109.016
bonds (distance) P-C4' energy: -121.864
flat angles C4'-P-C4' energy: -116.998
flat angles P-C4'-P energy: -75.418
tors. eta vs tors. theta energy: -160.837
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: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1818.146829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.146829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.146829 (E_RNA)
where:
Base-Base interactions energy: -1234.673
where: short stacking energy: -539.553
Base-Backbone interact. energy: -3.549
local terms energy: -579.924325
where:
bonds (distance) C4'-P energy: -107.988
bonds (distance) P-C4' energy: -104.380
flat angles C4'-P-C4' energy: -120.408
flat angles P-C4'-P energy: -88.001
tors. eta vs tors. theta energy: -159.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1680.438195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.438195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.438195 (E_RNA)
where:
Base-Base interactions energy: -1169.619
where: short stacking energy: -497.115
Base-Backbone interact. energy: -2.695
local terms energy: -508.124454
where:
bonds (distance) C4'-P energy: -92.174
bonds (distance) P-C4' energy: -93.317
flat angles C4'-P-C4' energy: -114.177
flat angles P-C4'-P energy: -68.184
tors. eta vs tors. theta energy: -140.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1598.614991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.614991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.614991 (E_RNA)
where:
Base-Base interactions energy: -1073.237
where: short stacking energy: -466.113
Base-Backbone interact. energy: 0.948
local terms energy: -526.325692
where:
bonds (distance) C4'-P energy: -108.136
bonds (distance) P-C4' energy: -106.777
flat angles C4'-P-C4' energy: -105.052
flat angles P-C4'-P energy: -74.716
tors. eta vs tors. theta energy: -131.645
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: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1433.526385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.526385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.526385 (E_RNA)
where:
Base-Base interactions energy: -950.582
where: short stacking energy: -439.827
Base-Backbone interact. energy: 3.317
local terms energy: -486.261735
where:
bonds (distance) C4'-P energy: -103.870
bonds (distance) P-C4' energy: -82.851
flat angles C4'-P-C4' energy: -108.179
flat angles P-C4'-P energy: -65.207
tors. eta vs tors. theta energy: -126.155
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: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1274.156363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.156363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.156363 (E_RNA)
where:
Base-Base interactions energy: -831.465
where: short stacking energy: -361.086
Base-Backbone interact. energy: -1.410
local terms energy: -441.281492
where:
bonds (distance) C4'-P energy: -91.131
bonds (distance) P-C4' energy: -97.274
flat angles C4'-P-C4' energy: -99.446
flat angles P-C4'-P energy: -75.607
tors. eta vs tors. theta energy: -77.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1257.329647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.329647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.329647 (E_RNA)
where:
Base-Base interactions energy: -827.805
where: short stacking energy: -338.057
Base-Backbone interact. energy: -1.764
local terms energy: -427.760657
where:
bonds (distance) C4'-P energy: -80.910
bonds (distance) P-C4' energy: -101.215
flat angles C4'-P-C4' energy: -97.216
flat angles P-C4'-P energy: -68.604
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: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -891.271444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.271444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.271444 (E_RNA)
where:
Base-Base interactions energy: -539.393
where: short stacking energy: -243.740
Base-Backbone interact. energy: -1.777
local terms energy: -350.100944
where:
bonds (distance) C4'-P energy: -89.015
bonds (distance) P-C4' energy: -101.387
flat angles C4'-P-C4' energy: -86.845
flat angles P-C4'-P energy: -49.117
tors. eta vs tors. theta energy: -23.737
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: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -610.016392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.016392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.016392 (E_RNA)
where:
Base-Base interactions energy: -315.320
where: short stacking energy: -190.711
Base-Backbone interact. energy: -1.883
local terms energy: -292.813571
where:
bonds (distance) C4'-P energy: -94.719
bonds (distance) P-C4' energy: -88.036
flat angles C4'-P-C4' energy: -67.202
flat angles P-C4'-P energy: -39.841
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1906.778431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.778431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.778431 (E_RNA)
where:
Base-Base interactions energy: -1332.149
where: short stacking energy: -563.161
Base-Backbone interact. energy: -2.959
local terms energy: -571.670753
where:
bonds (distance) C4'-P energy: -111.749
bonds (distance) P-C4' energy: -92.167
flat angles C4'-P-C4' energy: -122.166
flat angles P-C4'-P energy: -80.168
tors. eta vs tors. theta energy: -165.421
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: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1848.126363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.126363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.126363 (E_RNA)
where:
Base-Base interactions energy: -1263.431
where: short stacking energy: -560.945
Base-Backbone interact. energy: -1.578
local terms energy: -583.117215
where:
bonds (distance) C4'-P energy: -95.183
bonds (distance) P-C4' energy: -110.976
flat angles C4'-P-C4' energy: -116.709
flat angles P-C4'-P energy: -86.065
tors. eta vs tors. theta energy: -174.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1816.394748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.394748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.394748 (E_RNA)
where:
Base-Base interactions energy: -1230.181
where: short stacking energy: -543.435
Base-Backbone interact. energy: -0.499
local terms energy: -585.715509
where:
bonds (distance) C4'-P energy: -105.201
bonds (distance) P-C4' energy: -118.823
flat angles C4'-P-C4' energy: -112.998
flat angles P-C4'-P energy: -81.943
tors. eta vs tors. theta energy: -166.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1637.090368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.090368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.090368 (E_RNA)
where:
Base-Base interactions energy: -1118.360
where: short stacking energy: -466.551
Base-Backbone interact. energy: -2.776
local terms energy: -515.955124
where:
bonds (distance) C4'-P energy: -105.169
bonds (distance) P-C4' energy: -104.583
flat angles C4'-P-C4' energy: -112.676
flat angles P-C4'-P energy: -69.894
tors. eta vs tors. theta energy: -123.634
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: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1575.337622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.337622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.337622 (E_RNA)
where:
Base-Base interactions energy: -1078.352
where: short stacking energy: -487.309
Base-Backbone interact. energy: -1.659
local terms energy: -495.326405
where:
bonds (distance) C4'-P energy: -98.555
bonds (distance) P-C4' energy: -91.778
flat angles C4'-P-C4' energy: -102.809
flat angles P-C4'-P energy: -67.832
tors. eta vs tors. theta energy: -134.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1431.332773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.332773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.332773 (E_RNA)
where:
Base-Base interactions energy: -949.416
where: short stacking energy: -372.870
Base-Backbone interact. energy: 5.253
local terms energy: -487.170334
where:
bonds (distance) C4'-P energy: -100.192
bonds (distance) P-C4' energy: -97.215
flat angles C4'-P-C4' energy: -106.818
flat angles P-C4'-P energy: -70.467
tors. eta vs tors. theta energy: -112.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1307.846178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.846178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.846178 (E_RNA)
where:
Base-Base interactions energy: -853.887
where: short stacking energy: -395.696
Base-Backbone interact. energy: -2.436
local terms energy: -451.523049
where:
bonds (distance) C4'-P energy: -93.230
bonds (distance) P-C4' energy: -102.132
flat angles C4'-P-C4' energy: -91.426
flat angles P-C4'-P energy: -67.103
tors. eta vs tors. theta energy: -97.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1204.343056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.343056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.343056 (E_RNA)
where:
Base-Base interactions energy: -765.594
where: short stacking energy: -328.477
Base-Backbone interact. energy: -2.022
local terms energy: -436.726826
where:
bonds (distance) C4'-P energy: -87.346
bonds (distance) P-C4' energy: -86.769
flat angles C4'-P-C4' energy: -105.841
flat angles P-C4'-P energy: -72.332
tors. eta vs tors. theta energy: -84.438
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: 270
Temperature: 1.300000
Total energy: -908.654817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.654817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.654817 (E_RNA)
where:
Base-Base interactions energy: -538.037
where: short stacking energy: -261.877
Base-Backbone interact. energy: 0.531
local terms energy: -371.148795
where:
bonds (distance) C4'-P energy: -78.807
bonds (distance) P-C4' energy: -89.322
flat angles C4'-P-C4' energy: -89.233
flat angles P-C4'-P energy: -60.136
tors. eta vs tors. theta energy: -53.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -552.411684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.411684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.411684 (E_RNA)
where:
Base-Base interactions energy: -276.202
where: short stacking energy: -163.646
Base-Backbone interact. energy: 0.044
local terms energy: -276.253591
where:
bonds (distance) C4'-P energy: -71.655
bonds (distance) P-C4' energy: -87.407
flat angles C4'-P-C4' energy: -68.401
flat angles P-C4'-P energy: -38.799
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1891.295926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.295926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.295926 (E_RNA)
where:
Base-Base interactions energy: -1287.769
where: short stacking energy: -529.275
Base-Backbone interact. energy: -1.951
local terms energy: -601.575317
where:
bonds (distance) C4'-P energy: -125.131
bonds (distance) P-C4' energy: -110.319
flat angles C4'-P-C4' energy: -117.907
flat angles P-C4'-P energy: -89.099
tors. eta vs tors. theta energy: -159.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1866.155454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.155454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.155454 (E_RNA)
where:
Base-Base interactions energy: -1287.881
where: short stacking energy: -559.419
Base-Backbone interact. energy: -2.979
local terms energy: -575.294980
where:
bonds (distance) C4'-P energy: -105.310
bonds (distance) P-C4' energy: -93.312
flat angles C4'-P-C4' energy: -121.220
flat angles P-C4'-P energy: -93.399
tors. eta vs tors. theta energy: -162.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1813.841002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.841002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.841002 (E_RNA)
where:
Base-Base interactions energy: -1239.445
where: short stacking energy: -569.318
Base-Backbone interact. energy: -2.244
local terms energy: -572.152001
where:
bonds (distance) C4'-P energy: -98.811
bonds (distance) P-C4' energy: -109.422
flat angles C4'-P-C4' energy: -112.369
flat angles P-C4'-P energy: -84.453
tors. eta vs tors. theta energy: -167.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1665.298158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.298158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.298158 (E_RNA)
where:
Base-Base interactions energy: -1121.767
where: short stacking energy: -488.714
Base-Backbone interact. energy: -2.321
local terms energy: -541.209536
where:
bonds (distance) C4'-P energy: -106.822
bonds (distance) P-C4' energy: -98.914
flat angles C4'-P-C4' energy: -117.704
flat angles P-C4'-P energy: -69.581
tors. eta vs tors. theta energy: -148.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1570.752221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.752221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.752221 (E_RNA)
where:
Base-Base interactions energy: -1056.050
where: short stacking energy: -463.292
Base-Backbone interact. energy: -1.839
local terms energy: -512.863527
where:
bonds (distance) C4'-P energy: -92.442
bonds (distance) P-C4' energy: -99.870
flat angles C4'-P-C4' energy: -116.999
flat angles P-C4'-P energy: -78.520
tors. eta vs tors. theta energy: -125.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1458.005725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.005725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.005725 (E_RNA)
where:
Base-Base interactions energy: -972.667
where: short stacking energy: -416.715
Base-Backbone interact. energy: -1.285
local terms energy: -484.054276
where:
bonds (distance) C4'-P energy: -104.678
bonds (distance) P-C4' energy: -96.446
flat angles C4'-P-C4' energy: -112.534
flat angles P-C4'-P energy: -62.963
tors. eta vs tors. theta energy: -107.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1299.089846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.089846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.089846 (E_RNA)
where:
Base-Base interactions energy: -841.780
where: short stacking energy: -380.701
Base-Backbone interact. energy: -1.223
local terms energy: -456.086995
where:
bonds (distance) C4'-P energy: -75.252
bonds (distance) P-C4' energy: -104.437
flat angles C4'-P-C4' energy: -101.016
flat angles P-C4'-P energy: -73.656
tors. eta vs tors. theta energy: -101.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1227.086620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.086620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.086620 (E_RNA)
where:
Base-Base interactions energy: -825.205
where: short stacking energy: -376.738
Base-Backbone interact. energy: -0.697
local terms energy: -401.185203
where:
bonds (distance) C4'-P energy: -78.014
bonds (distance) P-C4' energy: -81.999
flat angles C4'-P-C4' energy: -94.145
flat angles P-C4'-P energy: -54.600
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: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -912.237609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.237609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.237609 (E_RNA)
where:
Base-Base interactions energy: -552.670
where: short stacking energy: -270.599
Base-Backbone interact. energy: -2.214
local terms energy: -357.352886
where:
bonds (distance) C4'-P energy: -81.057
bonds (distance) P-C4' energy: -83.636
flat angles C4'-P-C4' energy: -92.774
flat angles P-C4'-P energy: -57.707
tors. eta vs tors. theta energy: -42.178
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: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -530.893392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.893392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.893392 (E_RNA)
where:
Base-Base interactions energy: -241.183
where: short stacking energy: -151.102
Base-Backbone interact. energy: -0.206
local terms energy: -289.505188
where:
bonds (distance) C4'-P energy: -72.853
bonds (distance) P-C4' energy: -101.386
flat angles C4'-P-C4' energy: -81.082
flat angles P-C4'-P energy: -38.670
tors. eta vs tors. theta energy: 4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1908.429726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.429726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.429726 (E_RNA)
where:
Base-Base interactions energy: -1311.054
where: short stacking energy: -570.525
Base-Backbone interact. energy: -2.722
local terms energy: -594.653989
where:
bonds (distance) C4'-P energy: -115.821
bonds (distance) P-C4' energy: -104.598
flat angles C4'-P-C4' energy: -124.097
flat angles P-C4'-P energy: -76.024
tors. eta vs tors. theta energy: -174.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1858.435355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.435355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.435355 (E_RNA)
where:
Base-Base interactions energy: -1281.422
where: short stacking energy: -555.680
Base-Backbone interact. energy: -0.763
local terms energy: -576.250153
where:
bonds (distance) C4'-P energy: -107.028
bonds (distance) P-C4' energy: -107.604
flat angles C4'-P-C4' energy: -110.393
flat angles P-C4'-P energy: -88.731
tors. eta vs tors. theta energy: -162.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1776.081920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.081920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.081920 (E_RNA)
where:
Base-Base interactions energy: -1191.771
where: short stacking energy: -509.925
Base-Backbone interact. energy: -3.887
local terms energy: -580.424028
where:
bonds (distance) C4'-P energy: -104.503
bonds (distance) P-C4' energy: -117.190
flat angles C4'-P-C4' energy: -128.917
flat angles P-C4'-P energy: -71.192
tors. eta vs tors. theta energy: -158.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1661.233069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.233069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.233069 (E_RNA)
where:
Base-Base interactions energy: -1148.887
where: short stacking energy: -450.050
Base-Backbone interact. energy: -1.950
local terms energy: -510.395713
where:
bonds (distance) C4'-P energy: -88.573
bonds (distance) P-C4' energy: -98.712
flat angles C4'-P-C4' energy: -116.138
flat angles P-C4'-P energy: -69.447
tors. eta vs tors. theta energy: -137.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1553.859997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.859997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.859997 (E_RNA)
where:
Base-Base interactions energy: -1087.205
where: short stacking energy: -477.071
Base-Backbone interact. energy: 0.856
local terms energy: -467.510763
where:
bonds (distance) C4'-P energy: -77.842
bonds (distance) P-C4' energy: -83.395
flat angles C4'-P-C4' energy: -114.564
flat angles P-C4'-P energy: -66.718
tors. eta vs tors. theta energy: -124.991
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: 6, replica: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1453.451801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.451801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.451801 (E_RNA)
where:
Base-Base interactions energy: -977.103
where: short stacking energy: -429.848
Base-Backbone interact. energy: -1.065
local terms energy: -475.283812
where:
bonds (distance) C4'-P energy: -90.901
bonds (distance) P-C4' energy: -105.562
flat angles C4'-P-C4' energy: -103.945
flat angles P-C4'-P energy: -60.752
tors. eta vs tors. theta energy: -114.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1239.578627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.578627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.578627 (E_RNA)
where:
Base-Base interactions energy: -804.400
where: short stacking energy: -358.672
Base-Backbone interact. energy: 0.042
local terms energy: -435.220075
where:
bonds (distance) C4'-P energy: -82.478
bonds (distance) P-C4' energy: -99.340
flat angles C4'-P-C4' energy: -105.730
flat angles P-C4'-P energy: -54.850
tors. eta vs tors. theta energy: -92.821
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: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1224.967281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.967281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.967281 (E_RNA)
where:
Base-Base interactions energy: -803.395
where: short stacking energy: -362.106
Base-Backbone interact. energy: 1.459
local terms energy: -423.030899
where:
bonds (distance) C4'-P energy: -81.921
bonds (distance) P-C4' energy: -99.615
flat angles C4'-P-C4' energy: -95.269
flat angles P-C4'-P energy: -64.691
tors. eta vs tors. theta energy: -81.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -933.540586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.540586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.540586 (E_RNA)
where:
Base-Base interactions energy: -541.885
where: short stacking energy: -253.885
Base-Backbone interact. energy: 1.704
local terms energy: -393.359178
where:
bonds (distance) C4'-P energy: -98.293
bonds (distance) P-C4' energy: -86.984
flat angles C4'-P-C4' energy: -98.105
flat angles P-C4'-P energy: -59.306
tors. eta vs tors. theta energy: -50.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -534.711709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.711709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.711709 (E_RNA)
where:
Base-Base interactions energy: -259.535
where: short stacking energy: -121.824
Base-Backbone interact. energy: -1.481
local terms energy: -273.695479
where:
bonds (distance) C4'-P energy: -77.018
bonds (distance) P-C4' energy: -84.583
flat angles C4'-P-C4' energy: -82.132
flat angles P-C4'-P energy: -57.712
tors. eta vs tors. theta energy: 27.750
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: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1917.971658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.971658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.971658 (E_RNA)
where:
Base-Base interactions energy: -1325.705
where: short stacking energy: -581.703
Base-Backbone interact. energy: -1.471
local terms energy: -590.795587
where:
bonds (distance) C4'-P energy: -109.321
bonds (distance) P-C4' energy: -98.003
flat angles C4'-P-C4' energy: -127.377
flat angles P-C4'-P energy: -85.033
tors. eta vs tors. theta energy: -171.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1855.284427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.284427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.284427 (E_RNA)
where:
Base-Base interactions energy: -1294.212
where: short stacking energy: -533.962
Base-Backbone interact. energy: -0.601
local terms energy: -560.471660
where:
bonds (distance) C4'-P energy: -99.583
bonds (distance) P-C4' energy: -105.197
flat angles C4'-P-C4' energy: -115.580
flat angles P-C4'-P energy: -80.677
tors. eta vs tors. theta energy: -159.434
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: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1791.143282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.143282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.143282 (E_RNA)
where:
Base-Base interactions energy: -1209.205
where: short stacking energy: -522.095
Base-Backbone interact. energy: -4.534
local terms energy: -577.404707
where:
bonds (distance) C4'-P energy: -113.520
bonds (distance) P-C4' energy: -96.376
flat angles C4'-P-C4' energy: -123.167
flat angles P-C4'-P energy: -82.815
tors. eta vs tors. theta energy: -161.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1657.945866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.945866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.945866 (E_RNA)
where:
Base-Base interactions energy: -1122.204
where: short stacking energy: -466.011
Base-Backbone interact. energy: 2.551
local terms energy: -538.292352
where:
bonds (distance) C4'-P energy: -104.434
bonds (distance) P-C4' energy: -106.749
flat angles C4'-P-C4' energy: -110.751
flat angles P-C4'-P energy: -77.470
tors. eta vs tors. theta energy: -138.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1599.721543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.721543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.721543 (E_RNA)
where:
Base-Base interactions energy: -1084.423
where: short stacking energy: -454.375
Base-Backbone interact. energy: -1.791
local terms energy: -513.507811
where:
bonds (distance) C4'-P energy: -100.851
bonds (distance) P-C4' energy: -95.254
flat angles C4'-P-C4' energy: -108.990
flat angles P-C4'-P energy: -72.803
tors. eta vs tors. theta energy: -135.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1461.656646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.656646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.656646 (E_RNA)
where:
Base-Base interactions energy: -988.424
where: short stacking energy: -436.173
Base-Backbone interact. energy: -0.538
local terms energy: -472.693950
where:
bonds (distance) C4'-P energy: -93.735
bonds (distance) P-C4' energy: -92.344
flat angles C4'-P-C4' energy: -117.265
flat angles P-C4'-P energy: -70.964
tors. eta vs tors. theta energy: -98.387
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: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1269.864773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.864773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.864773 (E_RNA)
where:
Base-Base interactions energy: -876.160
where: short stacking energy: -354.831
Base-Backbone interact. energy: 0.538
local terms energy: -394.242489
where:
bonds (distance) C4'-P energy: -90.281
bonds (distance) P-C4' energy: -85.976
flat angles C4'-P-C4' energy: -76.840
flat angles P-C4'-P energy: -55.697
tors. eta vs tors. theta energy: -85.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1266.764353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.764353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.764353 (E_RNA)
where:
Base-Base interactions energy: -825.031
where: short stacking energy: -346.030
Base-Backbone interact. energy: -1.074
local terms energy: -440.659060
where:
bonds (distance) C4'-P energy: -91.083
bonds (distance) P-C4' energy: -98.961
flat angles C4'-P-C4' energy: -96.671
flat angles P-C4'-P energy: -73.380
tors. eta vs tors. theta energy: -80.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -941.723749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.723749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.723749 (E_RNA)
where:
Base-Base interactions energy: -577.991
where: short stacking energy: -271.017
Base-Backbone interact. energy: 2.363
local terms energy: -366.095852
where:
bonds (distance) C4'-P energy: -87.358
bonds (distance) P-C4' energy: -73.563
flat angles C4'-P-C4' energy: -90.841
flat angles P-C4'-P energy: -64.451
tors. eta vs tors. theta energy: -49.883
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: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -550.351236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.351236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.351236 (E_RNA)
where:
Base-Base interactions energy: -259.831
where: short stacking energy: -152.686
Base-Backbone interact. energy: 1.846
local terms energy: -292.366234
where:
bonds (distance) C4'-P energy: -87.141
bonds (distance) P-C4' energy: -83.162
flat angles C4'-P-C4' energy: -69.635
flat angles P-C4'-P energy: -61.083
tors. eta vs tors. theta energy: 8.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1901.353684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.353684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.353684 (E_RNA)
where:
Base-Base interactions energy: -1313.785
where: short stacking energy: -559.932
Base-Backbone interact. energy: 2.119
local terms energy: -589.687468
where:
bonds (distance) C4'-P energy: -114.105
bonds (distance) P-C4' energy: -107.726
flat angles C4'-P-C4' energy: -119.985
flat angles P-C4'-P energy: -77.710
tors. eta vs tors. theta energy: -170.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1858.429028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.429028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.429028 (E_RNA)
where:
Base-Base interactions energy: -1285.381
where: short stacking energy: -560.579
Base-Backbone interact. energy: -1.225
local terms energy: -571.823448
where:
bonds (distance) C4'-P energy: -99.616
bonds (distance) P-C4' energy: -112.035
flat angles C4'-P-C4' energy: -117.221
flat angles P-C4'-P energy: -78.016
tors. eta vs tors. theta energy: -164.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1796.420761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.420761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.420761 (E_RNA)
where:
Base-Base interactions energy: -1251.501
where: short stacking energy: -528.711
Base-Backbone interact. energy: -3.094
local terms energy: -541.825578
where:
bonds (distance) C4'-P energy: -96.960
bonds (distance) P-C4' energy: -102.370
flat angles C4'-P-C4' energy: -118.097
flat angles P-C4'-P energy: -72.784
tors. eta vs tors. theta energy: -151.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1639.926938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.926938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.926938 (E_RNA)
where:
Base-Base interactions energy: -1116.308
where: short stacking energy: -485.530
Base-Backbone interact. energy: -0.058
local terms energy: -523.561121
where:
bonds (distance) C4'-P energy: -108.257
bonds (distance) P-C4' energy: -95.173
flat angles C4'-P-C4' energy: -107.896
flat angles P-C4'-P energy: -77.863
tors. eta vs tors. theta energy: -134.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1598.536134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.536134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.536134 (E_RNA)
where:
Base-Base interactions energy: -1061.369
where: short stacking energy: -470.682
Base-Backbone interact. energy: -1.096
local terms energy: -536.070668
where:
bonds (distance) C4'-P energy: -84.170
bonds (distance) P-C4' energy: -113.129
flat angles C4'-P-C4' energy: -120.086
flat angles P-C4'-P energy: -81.215
tors. eta vs tors. theta energy: -137.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1500.942459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.942459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.942459 (E_RNA)
where:
Base-Base interactions energy: -1017.615
where: short stacking energy: -451.706
Base-Backbone interact. energy: -2.596
local terms energy: -480.731580
where:
bonds (distance) C4'-P energy: -99.652
bonds (distance) P-C4' energy: -95.407
flat angles C4'-P-C4' energy: -104.423
flat angles P-C4'-P energy: -59.356
tors. eta vs tors. theta energy: -121.894
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: 7, replica: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1317.437844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.437844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.437844 (E_RNA)
where:
Base-Base interactions energy: -875.828
where: short stacking energy: -387.513
Base-Backbone interact. energy: -1.477
local terms energy: -440.133117
where:
bonds (distance) C4'-P energy: -84.262
bonds (distance) P-C4' energy: -96.384
flat angles C4'-P-C4' energy: -94.909
flat angles P-C4'-P energy: -72.732
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: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1200.772604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.772604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.772604 (E_RNA)
where:
Base-Base interactions energy: -785.726
where: short stacking energy: -351.790
Base-Backbone interact. energy: -2.460
local terms energy: -412.585890
where:
bonds (distance) C4'-P energy: -88.227
bonds (distance) P-C4' energy: -82.127
flat angles C4'-P-C4' energy: -101.373
flat angles P-C4'-P energy: -66.084
tors. eta vs tors. theta energy: -74.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -926.326234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.326234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.326234 (E_RNA)
where:
Base-Base interactions energy: -573.106
where: short stacking energy: -277.517
Base-Backbone interact. energy: -0.422
local terms energy: -352.797525
where:
bonds (distance) C4'-P energy: -85.100
bonds (distance) P-C4' energy: -82.105
flat angles C4'-P-C4' energy: -85.154
flat angles P-C4'-P energy: -56.841
tors. eta vs tors. theta energy: -43.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -565.164848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.164848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.164848 (E_RNA)
where:
Base-Base interactions energy: -257.381
where: short stacking energy: -155.046
Base-Backbone interact. energy: -2.381
local terms energy: -305.402422
where:
bonds (distance) C4'-P energy: -94.422
bonds (distance) P-C4' energy: -99.878
flat angles C4'-P-C4' energy: -75.682
flat angles P-C4'-P energy: -39.981
tors. eta vs tors. theta energy: 4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1902.666269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.666269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.666269 (E_RNA)
where:
Base-Base interactions energy: -1307.650
where: short stacking energy: -551.829
Base-Backbone interact. energy: -1.696
local terms energy: -593.319997
where:
bonds (distance) C4'-P energy: -97.747
bonds (distance) P-C4' energy: -116.113
flat angles C4'-P-C4' energy: -125.883
flat angles P-C4'-P energy: -81.411
tors. eta vs tors. theta energy: -172.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1854.336902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.336902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.336902 (E_RNA)
where:
Base-Base interactions energy: -1281.040
where: short stacking energy: -546.855
Base-Backbone interact. energy: -0.179
local terms energy: -573.118421
where:
bonds (distance) C4'-P energy: -96.772
bonds (distance) P-C4' energy: -107.910
flat angles C4'-P-C4' energy: -118.708
flat angles P-C4'-P energy: -85.467
tors. eta vs tors. theta energy: -164.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1807.301663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.301663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.301663 (E_RNA)
where:
Base-Base interactions energy: -1239.025
where: short stacking energy: -542.533
Base-Backbone interact. energy: -1.853
local terms energy: -566.424261
where:
bonds (distance) C4'-P energy: -80.693
bonds (distance) P-C4' energy: -116.139
flat angles C4'-P-C4' energy: -119.124
flat angles P-C4'-P energy: -84.399
tors. eta vs tors. theta energy: -166.070
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: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1652.308859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.308859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.308859 (E_RNA)
where:
Base-Base interactions energy: -1119.943
where: short stacking energy: -480.608
Base-Backbone interact. energy: -0.706
local terms energy: -531.660061
where:
bonds (distance) C4'-P energy: -81.681
bonds (distance) P-C4' energy: -121.111
flat angles C4'-P-C4' energy: -115.710
flat angles P-C4'-P energy: -75.443
tors. eta vs tors. theta energy: -137.715
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: 275
Temperature: 1.100000
Total energy: -1582.720201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.720201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.720201 (E_RNA)
where:
Base-Base interactions energy: -1054.579
where: short stacking energy: -464.259
Base-Backbone interact. energy: -1.708
local terms energy: -526.433371
where:
bonds (distance) C4'-P energy: -93.069
bonds (distance) P-C4' energy: -107.551
flat angles C4'-P-C4' energy: -118.977
flat angles P-C4'-P energy: -82.852
tors. eta vs tors. theta energy: -123.983
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: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1390.089582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.089582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.089582 (E_RNA)
where:
Base-Base interactions energy: -904.910
where: short stacking energy: -394.754
Base-Backbone interact. energy: -4.564
local terms energy: -480.616283
where:
bonds (distance) C4'-P energy: -94.719
bonds (distance) P-C4' energy: -94.842
flat angles C4'-P-C4' energy: -103.594
flat angles P-C4'-P energy: -78.712
tors. eta vs tors. theta energy: -108.749
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: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1443.558884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.558884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.558884 (E_RNA)
where:
Base-Base interactions energy: -974.892
where: short stacking energy: -424.370
Base-Backbone interact. energy: -0.422
local terms energy: -468.244783
where:
bonds (distance) C4'-P energy: -103.063
bonds (distance) P-C4' energy: -94.452
flat angles C4'-P-C4' energy: -97.899
flat angles P-C4'-P energy: -60.993
tors. eta vs tors. theta energy: -111.838
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: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1174.643917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.643917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.643917 (E_RNA)
where:
Base-Base interactions energy: -779.370
where: short stacking energy: -329.535
Base-Backbone interact. energy: -1.407
local terms energy: -393.866960
where:
bonds (distance) C4'-P energy: -73.104
bonds (distance) P-C4' energy: -107.917
flat angles C4'-P-C4' energy: -91.289
flat angles P-C4'-P energy: -53.682
tors. eta vs tors. theta energy: -67.875
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: 275
Temperature: 1.300000
Total energy: -928.697061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.697061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.697061 (E_RNA)
where:
Base-Base interactions energy: -553.791
where: short stacking energy: -234.739
Base-Backbone interact. energy: -1.920
local terms energy: -372.986790
where:
bonds (distance) C4'-P energy: -83.402
bonds (distance) P-C4' energy: -107.200
flat angles C4'-P-C4' energy: -98.671
flat angles P-C4'-P energy: -44.312
tors. eta vs tors. theta energy: -39.402
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: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -603.592456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.592456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.592456 (E_RNA)
where:
Base-Base interactions energy: -287.328
where: short stacking energy: -195.069
Base-Backbone interact. energy: 1.684
local terms energy: -317.949027
where:
bonds (distance) C4'-P energy: -93.988
bonds (distance) P-C4' energy: -82.331
flat angles C4'-P-C4' energy: -77.606
flat angles P-C4'-P energy: -51.534
tors. eta vs tors. theta energy: -12.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1907.649134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.649134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.649134 (E_RNA)
where:
Base-Base interactions energy: -1317.016
where: short stacking energy: -572.316
Base-Backbone interact. energy: -0.029
local terms energy: -590.604902
where:
bonds (distance) C4'-P energy: -107.137
bonds (distance) P-C4' energy: -107.483
flat angles C4'-P-C4' energy: -122.943
flat angles P-C4'-P energy: -80.545
tors. eta vs tors. theta energy: -172.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1840.917934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.917934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.917934 (E_RNA)
where:
Base-Base interactions energy: -1248.085
where: short stacking energy: -571.815
Base-Backbone interact. energy: -1.515
local terms energy: -591.317908
where:
bonds (distance) C4'-P energy: -102.608
bonds (distance) P-C4' energy: -115.394
flat angles C4'-P-C4' energy: -121.773
flat angles P-C4'-P energy: -83.929
tors. eta vs tors. theta energy: -167.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1832.059920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.059920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.059920 (E_RNA)
where:
Base-Base interactions energy: -1279.658
where: short stacking energy: -552.853
Base-Backbone interact. energy: -1.923
local terms energy: -550.479277
where:
bonds (distance) C4'-P energy: -92.979
bonds (distance) P-C4' energy: -111.500
flat angles C4'-P-C4' energy: -121.165
flat angles P-C4'-P energy: -62.117
tors. eta vs tors. theta energy: -162.718
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: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1677.668475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.668475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.668475 (E_RNA)
where:
Base-Base interactions energy: -1170.440
where: short stacking energy: -501.754
Base-Backbone interact. energy: -3.462
local terms energy: -503.767194
where:
bonds (distance) C4'-P energy: -98.277
bonds (distance) P-C4' energy: -98.243
flat angles C4'-P-C4' energy: -114.606
flat angles P-C4'-P energy: -62.575
tors. eta vs tors. theta energy: -130.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1589.761516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.761516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.761516 (E_RNA)
where:
Base-Base interactions energy: -1046.296
where: short stacking energy: -456.374
Base-Backbone interact. energy: -1.203
local terms energy: -542.262245
where:
bonds (distance) C4'-P energy: -98.701
bonds (distance) P-C4' energy: -109.910
flat angles C4'-P-C4' energy: -123.032
flat angles P-C4'-P energy: -78.346
tors. eta vs tors. theta energy: -132.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1402.479594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.479594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.479594 (E_RNA)
where:
Base-Base interactions energy: -911.420
where: short stacking energy: -407.482
Base-Backbone interact. energy: -2.489
local terms energy: -488.571347
where:
bonds (distance) C4'-P energy: -100.977
bonds (distance) P-C4' energy: -84.990
flat angles C4'-P-C4' energy: -110.791
flat angles P-C4'-P energy: -77.739
tors. eta vs tors. theta energy: -114.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1417.006844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.006844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.006844 (E_RNA)
where:
Base-Base interactions energy: -959.505
where: short stacking energy: -411.024
Base-Backbone interact. energy: 1.703
local terms energy: -459.204690
where:
bonds (distance) C4'-P energy: -84.222
bonds (distance) P-C4' energy: -96.179
flat angles C4'-P-C4' energy: -88.413
flat angles P-C4'-P energy: -81.706
tors. eta vs tors. theta energy: -108.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1225.534938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.534938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.534938 (E_RNA)
where:
Base-Base interactions energy: -815.738
where: short stacking energy: -336.110
Base-Backbone interact. energy: 10.187
local terms energy: -419.983370
where:
bonds (distance) C4'-P energy: -98.769
bonds (distance) P-C4' energy: -96.378
flat angles C4'-P-C4' energy: -92.409
flat angles P-C4'-P energy: -71.937
tors. eta vs tors. theta energy: -60.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -890.234815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.234815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.234815 (E_RNA)
where:
Base-Base interactions energy: -517.706
where: short stacking energy: -232.797
Base-Backbone interact. energy: -0.429
local terms energy: -372.100593
where:
bonds (distance) C4'-P energy: -95.453
bonds (distance) P-C4' energy: -109.720
flat angles C4'-P-C4' energy: -96.274
flat angles P-C4'-P energy: -49.440
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -523.055052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.055052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.055052 (E_RNA)
where:
Base-Base interactions energy: -218.849
where: short stacking energy: -143.860
Base-Backbone interact. energy: -1.014
local terms energy: -303.191894
where:
bonds (distance) C4'-P energy: -90.471
bonds (distance) P-C4' energy: -96.259
flat angles C4'-P-C4' energy: -73.195
flat angles P-C4'-P energy: -52.768
tors. eta vs tors. theta energy: 9.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1896.563267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.563267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.563267 (E_RNA)
where:
Base-Base interactions energy: -1295.250
where: short stacking energy: -575.888
Base-Backbone interact. energy: -2.187
local terms energy: -599.126544
where:
bonds (distance) C4'-P energy: -105.249
bonds (distance) P-C4' energy: -112.856
flat angles C4'-P-C4' energy: -122.532
flat angles P-C4'-P energy: -83.544
tors. eta vs tors. theta energy: -174.946
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: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1860.814249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.814249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.814249 (E_RNA)
where:
Base-Base interactions energy: -1277.235
where: short stacking energy: -561.481
Base-Backbone interact. energy: -2.227
local terms energy: -581.351403
where:
bonds (distance) C4'-P energy: -97.419
bonds (distance) P-C4' energy: -112.206
flat angles C4'-P-C4' energy: -115.913
flat angles P-C4'-P energy: -94.789
tors. eta vs tors. theta energy: -161.024
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: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1767.065095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.065095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.065095 (E_RNA)
where:
Base-Base interactions energy: -1212.130
where: short stacking energy: -527.286
Base-Backbone interact. energy: 1.063
local terms energy: -555.998646
where:
bonds (distance) C4'-P energy: -99.738
bonds (distance) P-C4' energy: -103.044
flat angles C4'-P-C4' energy: -117.509
flat angles P-C4'-P energy: -70.868
tors. eta vs tors. theta energy: -164.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1630.700586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.700586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.700586 (E_RNA)
where:
Base-Base interactions energy: -1118.495
where: short stacking energy: -462.938
Base-Backbone interact. energy: -2.816
local terms energy: -509.389362
where:
bonds (distance) C4'-P energy: -96.420
bonds (distance) P-C4' energy: -100.055
flat angles C4'-P-C4' energy: -110.192
flat angles P-C4'-P energy: -76.615
tors. eta vs tors. theta energy: -126.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1580.695030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.695030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.695030 (E_RNA)
where:
Base-Base interactions energy: -1075.779
where: short stacking energy: -470.684
Base-Backbone interact. energy: 1.172
local terms energy: -506.088078
where:
bonds (distance) C4'-P energy: -101.043
bonds (distance) P-C4' energy: -97.333
flat angles C4'-P-C4' energy: -93.885
flat angles P-C4'-P energy: -80.501
tors. eta vs tors. theta energy: -133.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1464.664964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.664964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.664964 (E_RNA)
where:
Base-Base interactions energy: -994.032
where: short stacking energy: -442.581
Base-Backbone interact. energy: -0.283
local terms energy: -470.350090
where:
bonds (distance) C4'-P energy: -98.701
bonds (distance) P-C4' energy: -90.279
flat angles C4'-P-C4' energy: -100.718
flat angles P-C4'-P energy: -69.977
tors. eta vs tors. theta energy: -110.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1365.827040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.827040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.827040 (E_RNA)
where:
Base-Base interactions energy: -909.783
where: short stacking energy: -390.224
Base-Backbone interact. energy: -0.822
local terms energy: -455.221885
where:
bonds (distance) C4'-P energy: -91.814
bonds (distance) P-C4' energy: -95.920
flat angles C4'-P-C4' energy: -95.084
flat angles P-C4'-P energy: -65.817
tors. eta vs tors. theta energy: -106.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1226.453891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.453891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.453891 (E_RNA)
where:
Base-Base interactions energy: -809.400
where: short stacking energy: -358.893
Base-Backbone interact. energy: -2.842
local terms energy: -414.212067
where:
bonds (distance) C4'-P energy: -85.804
bonds (distance) P-C4' energy: -98.344
flat angles C4'-P-C4' energy: -92.495
flat angles P-C4'-P energy: -56.026
tors. eta vs tors. theta energy: -81.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -896.732801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.732801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.732801 (E_RNA)
where:
Base-Base interactions energy: -550.961
where: short stacking energy: -255.042
Base-Backbone interact. energy: -2.402
local terms energy: -343.369564
where:
bonds (distance) C4'-P energy: -77.878
bonds (distance) P-C4' energy: -85.027
flat angles C4'-P-C4' energy: -85.418
flat angles P-C4'-P energy: -64.171
tors. eta vs tors. theta energy: -30.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -556.902000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.902000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.902000 (E_RNA)
where:
Base-Base interactions energy: -246.428
where: short stacking energy: -145.423
Base-Backbone interact. energy: 1.015
local terms energy: -311.488644
where:
bonds (distance) C4'-P energy: -93.615
bonds (distance) P-C4' energy: -87.991
flat angles C4'-P-C4' energy: -68.915
flat angles P-C4'-P energy: -51.674
tors. eta vs tors. theta energy: -9.293
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: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1925.576625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.576625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.576625 (E_RNA)
where:
Base-Base interactions energy: -1330.374
where: short stacking energy: -575.295
Base-Backbone interact. energy: -0.491
local terms energy: -594.711160
where:
bonds (distance) C4'-P energy: -109.977
bonds (distance) P-C4' energy: -111.820
flat angles C4'-P-C4' energy: -128.930
flat angles P-C4'-P energy: -82.187
tors. eta vs tors. theta energy: -161.798
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: 2, replica: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1877.514464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.514464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.514464 (E_RNA)
where:
Base-Base interactions energy: -1272.379
where: short stacking energy: -548.480
Base-Backbone interact. energy: -2.584
local terms energy: -602.551397
where:
bonds (distance) C4'-P energy: -105.892
bonds (distance) P-C4' energy: -107.738
flat angles C4'-P-C4' energy: -130.851
flat angles P-C4'-P energy: -88.444
tors. eta vs tors. theta energy: -169.626
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: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1739.849866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.849866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.849866 (E_RNA)
where:
Base-Base interactions energy: -1211.141
where: short stacking energy: -546.213
Base-Backbone interact. energy: -2.304
local terms energy: -526.405276
where:
bonds (distance) C4'-P energy: -89.416
bonds (distance) P-C4' energy: -99.215
flat angles C4'-P-C4' energy: -113.613
flat angles P-C4'-P energy: -75.358
tors. eta vs tors. theta energy: -148.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1625.672546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.672546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.672546 (E_RNA)
where:
Base-Base interactions energy: -1100.169
where: short stacking energy: -456.620
Base-Backbone interact. energy: -2.480
local terms energy: -523.023087
where:
bonds (distance) C4'-P energy: -102.373
bonds (distance) P-C4' energy: -100.775
flat angles C4'-P-C4' energy: -109.032
flat angles P-C4'-P energy: -74.153
tors. eta vs tors. theta energy: -136.691
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: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1597.221261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.221261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.221261 (E_RNA)
where:
Base-Base interactions energy: -1067.063
where: short stacking energy: -492.619
Base-Backbone interact. energy: -2.620
local terms energy: -527.538679
where:
bonds (distance) C4'-P energy: -107.617
bonds (distance) P-C4' energy: -108.444
flat angles C4'-P-C4' energy: -102.294
flat angles P-C4'-P energy: -79.596
tors. eta vs tors. theta energy: -129.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1467.680778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.680778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.680778 (E_RNA)
where:
Base-Base interactions energy: -1010.784
where: short stacking energy: -461.195
Base-Backbone interact. energy: -0.445
local terms energy: -456.452671
where:
bonds (distance) C4'-P energy: -86.447
bonds (distance) P-C4' energy: -82.979
flat angles C4'-P-C4' energy: -105.999
flat angles P-C4'-P energy: -66.978
tors. eta vs tors. theta energy: -114.050
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: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1333.219903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.219903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.219903 (E_RNA)
where:
Base-Base interactions energy: -877.280
where: short stacking energy: -366.403
Base-Backbone interact. energy: 0.494
local terms energy: -456.434299
where:
bonds (distance) C4'-P energy: -91.488
bonds (distance) P-C4' energy: -100.362
flat angles C4'-P-C4' energy: -105.540
flat angles P-C4'-P energy: -71.330
tors. eta vs tors. theta energy: -87.715
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: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1229.003677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.003677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.003677 (E_RNA)
where:
Base-Base interactions energy: -805.030
where: short stacking energy: -346.042
Base-Backbone interact. energy: -2.867
local terms energy: -421.106082
where:
bonds (distance) C4'-P energy: -97.790
bonds (distance) P-C4' energy: -89.192
flat angles C4'-P-C4' energy: -90.545
flat angles P-C4'-P energy: -61.871
tors. eta vs tors. theta energy: -81.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -939.540222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.540222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.540222 (E_RNA)
where:
Base-Base interactions energy: -585.071
where: short stacking energy: -273.777
Base-Backbone interact. energy: 2.856
local terms energy: -357.325127
where:
bonds (distance) C4'-P energy: -83.669
bonds (distance) P-C4' energy: -89.071
flat angles C4'-P-C4' energy: -93.269
flat angles P-C4'-P energy: -44.454
tors. eta vs tors. theta energy: -46.862
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: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -545.088133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.088133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.088133 (E_RNA)
where:
Base-Base interactions energy: -264.461
where: short stacking energy: -180.388
Base-Backbone interact. energy: -2.011
local terms energy: -278.615245
where:
bonds (distance) C4'-P energy: -74.034
bonds (distance) P-C4' energy: -86.261
flat angles C4'-P-C4' energy: -74.734
flat angles P-C4'-P energy: -34.529
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: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1927.398338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.398338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.398338 (E_RNA)
where:
Base-Base interactions energy: -1327.024
where: short stacking energy: -574.146
Base-Backbone interact. energy: -4.342
local terms energy: -596.032025
where:
bonds (distance) C4'-P energy: -109.181
bonds (distance) P-C4' energy: -100.280
flat angles C4'-P-C4' energy: -131.295
flat angles P-C4'-P energy: -84.708
tors. eta vs tors. theta energy: -170.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1874.786307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.786307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.786307 (E_RNA)
where:
Base-Base interactions energy: -1294.277
where: short stacking energy: -567.689
Base-Backbone interact. energy: -3.454
local terms energy: -577.055867
where:
bonds (distance) C4'-P energy: -101.385
bonds (distance) P-C4' energy: -100.605
flat angles C4'-P-C4' energy: -124.749
flat angles P-C4'-P energy: -74.430
tors. eta vs tors. theta energy: -175.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1775.572280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.572280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.572280 (E_RNA)
where:
Base-Base interactions energy: -1218.101
where: short stacking energy: -507.077
Base-Backbone interact. energy: -1.654
local terms energy: -555.816920
where:
bonds (distance) C4'-P energy: -95.526
bonds (distance) P-C4' energy: -117.020
flat angles C4'-P-C4' energy: -114.401
flat angles P-C4'-P energy: -86.630
tors. eta vs tors. theta energy: -142.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1702.105010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.105010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.105010 (E_RNA)
where:
Base-Base interactions energy: -1125.710
where: short stacking energy: -490.394
Base-Backbone interact. energy: -3.809
local terms energy: -572.585967
where:
bonds (distance) C4'-P energy: -115.738
bonds (distance) P-C4' energy: -104.206
flat angles C4'-P-C4' energy: -124.198
flat angles P-C4'-P energy: -83.127
tors. eta vs tors. theta energy: -145.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1593.286083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.286083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.286083 (E_RNA)
where:
Base-Base interactions energy: -1094.353
where: short stacking energy: -461.197
Base-Backbone interact. energy: -1.617
local terms energy: -497.315966
where:
bonds (distance) C4'-P energy: -93.861
bonds (distance) P-C4' energy: -102.734
flat angles C4'-P-C4' energy: -111.527
flat angles P-C4'-P energy: -68.404
tors. eta vs tors. theta energy: -120.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1408.538852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.538852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.538852 (E_RNA)
where:
Base-Base interactions energy: -962.581
where: short stacking energy: -407.079
Base-Backbone interact. energy: 1.652
local terms energy: -447.609181
where:
bonds (distance) C4'-P energy: -78.021
bonds (distance) P-C4' energy: -103.271
flat angles C4'-P-C4' energy: -109.703
flat angles P-C4'-P energy: -62.093
tors. eta vs tors. theta energy: -94.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1351.033661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.033661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.033661 (E_RNA)
where:
Base-Base interactions energy: -908.411
where: short stacking energy: -401.415
Base-Backbone interact. energy: -1.741
local terms energy: -440.882110
where:
bonds (distance) C4'-P energy: -67.556
bonds (distance) P-C4' energy: -97.246
flat angles C4'-P-C4' energy: -111.016
flat angles P-C4'-P energy: -60.337
tors. eta vs tors. theta energy: -104.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1231.459083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.459083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.459083 (E_RNA)
where:
Base-Base interactions energy: -813.067
where: short stacking energy: -352.457
Base-Backbone interact. energy: -1.431
local terms energy: -416.961307
where:
bonds (distance) C4'-P energy: -80.626
bonds (distance) P-C4' energy: -101.710
flat angles C4'-P-C4' energy: -100.100
flat angles P-C4'-P energy: -52.554
tors. eta vs tors. theta energy: -81.971
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: 279
Temperature: 1.300000
Total energy: -983.235465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.235465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.235465 (E_RNA)
where:
Base-Base interactions energy: -580.159
where: short stacking energy: -262.802
Base-Backbone interact. energy: 0.966
local terms energy: -404.042166
where:
bonds (distance) C4'-P energy: -82.882
bonds (distance) P-C4' energy: -105.024
flat angles C4'-P-C4' energy: -81.293
flat angles P-C4'-P energy: -75.708
tors. eta vs tors. theta energy: -59.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -510.664850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.664850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.664850 (E_RNA)
where:
Base-Base interactions energy: -237.097
where: short stacking energy: -144.707
Base-Backbone interact. energy: -1.053
local terms energy: -272.515347
where:
bonds (distance) C4'-P energy: -83.336
bonds (distance) P-C4' energy: -82.241
flat angles C4'-P-C4' energy: -72.643
flat angles P-C4'-P energy: -45.234
tors. eta vs tors. theta energy: 10.939
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: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1893.704222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.704222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.704222 (E_RNA)
where:
Base-Base interactions energy: -1287.691
where: short stacking energy: -565.629
Base-Backbone interact. energy: -1.735
local terms energy: -604.278421
where:
bonds (distance) C4'-P energy: -111.988
bonds (distance) P-C4' energy: -116.750
flat angles C4'-P-C4' energy: -112.333
flat angles P-C4'-P energy: -85.452
tors. eta vs tors. theta energy: -177.755
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: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1888.201207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.201207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.201207 (E_RNA)
where:
Base-Base interactions energy: -1299.360
where: short stacking energy: -554.720
Base-Backbone interact. energy: 0.430
local terms energy: -589.271793
where:
bonds (distance) C4'-P energy: -100.757
bonds (distance) P-C4' energy: -101.591
flat angles C4'-P-C4' energy: -130.814
flat angles P-C4'-P energy: -79.778
tors. eta vs tors. theta energy: -176.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1751.498070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.498070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.498070 (E_RNA)
where:
Base-Base interactions energy: -1188.749
where: short stacking energy: -502.075
Base-Backbone interact. energy: -0.668
local terms energy: -562.080528
where:
bonds (distance) C4'-P energy: -116.001
bonds (distance) P-C4' energy: -96.687
flat angles C4'-P-C4' energy: -118.975
flat angles P-C4'-P energy: -82.709
tors. eta vs tors. theta energy: -147.709
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: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1663.743528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.743528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.743528 (E_RNA)
where:
Base-Base interactions energy: -1146.616
where: short stacking energy: -485.230
Base-Backbone interact. energy: -0.639
local terms energy: -516.487872
where:
bonds (distance) C4'-P energy: -107.425
bonds (distance) P-C4' energy: -102.052
flat angles C4'-P-C4' energy: -113.305
flat angles P-C4'-P energy: -61.433
tors. eta vs tors. theta energy: -132.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1613.856254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.856254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.856254 (E_RNA)
where:
Base-Base interactions energy: -1086.489
where: short stacking energy: -461.628
Base-Backbone interact. energy: 1.626
local terms energy: -528.993327
where:
bonds (distance) C4'-P energy: -107.189
bonds (distance) P-C4' energy: -87.908
flat angles C4'-P-C4' energy: -125.623
flat angles P-C4'-P energy: -71.439
tors. eta vs tors. theta energy: -136.834
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: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1473.643591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.643591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.643591 (E_RNA)
where:
Base-Base interactions energy: -1001.246
where: short stacking energy: -424.254
Base-Backbone interact. energy: 0.089
local terms energy: -472.486158
where:
bonds (distance) C4'-P energy: -96.781
bonds (distance) P-C4' energy: -90.530
flat angles C4'-P-C4' energy: -101.628
flat angles P-C4'-P energy: -70.162
tors. eta vs tors. theta energy: -113.385
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: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1320.198108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.198108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.198108 (E_RNA)
where:
Base-Base interactions energy: -880.164
where: short stacking energy: -386.838
Base-Backbone interact. energy: 3.578
local terms energy: -443.612058
where:
bonds (distance) C4'-P energy: -81.889
bonds (distance) P-C4' energy: -87.229
flat angles C4'-P-C4' energy: -106.016
flat angles P-C4'-P energy: -65.339
tors. eta vs tors. theta energy: -103.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1209.945526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.945526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.945526 (E_RNA)
where:
Base-Base interactions energy: -781.402
where: short stacking energy: -322.919
Base-Backbone interact. energy: -1.396
local terms energy: -427.147544
where:
bonds (distance) C4'-P energy: -93.716
bonds (distance) P-C4' energy: -89.359
flat angles C4'-P-C4' energy: -87.464
flat angles P-C4'-P energy: -67.347
tors. eta vs tors. theta energy: -89.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -944.752410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.752410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.752410 (E_RNA)
where:
Base-Base interactions energy: -576.398
where: short stacking energy: -281.313
Base-Backbone interact. energy: 0.592
local terms energy: -368.946372
where:
bonds (distance) C4'-P energy: -78.506
bonds (distance) P-C4' energy: -95.640
flat angles C4'-P-C4' energy: -87.652
flat angles P-C4'-P energy: -55.112
tors. eta vs tors. theta energy: -52.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -496.461196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.461196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.461196 (E_RNA)
where:
Base-Base interactions energy: -237.046
where: short stacking energy: -174.626
Base-Backbone interact. energy: 1.699
local terms energy: -261.114725
where:
bonds (distance) C4'-P energy: -70.746
bonds (distance) P-C4' energy: -85.661
flat angles C4'-P-C4' energy: -80.727
flat angles P-C4'-P energy: -31.157
tors. eta vs tors. theta energy: 7.177
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: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1889.132129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.132129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.132129 (E_RNA)
where:
Base-Base interactions energy: -1275.483
where: short stacking energy: -561.939
Base-Backbone interact. energy: 0.676
local terms energy: -614.325040
where:
bonds (distance) C4'-P energy: -121.699
bonds (distance) P-C4' energy: -100.343
flat angles C4'-P-C4' energy: -127.009
flat angles P-C4'-P energy: -89.394
tors. eta vs tors. theta energy: -175.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1894.557483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.557483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.557483 (E_RNA)
where:
Base-Base interactions energy: -1302.207
where: short stacking energy: -554.549
Base-Backbone interact. energy: 0.444
local terms energy: -592.794676
where:
bonds (distance) C4'-P energy: -102.011
bonds (distance) P-C4' energy: -115.292
flat angles C4'-P-C4' energy: -121.288
flat angles P-C4'-P energy: -79.382
tors. eta vs tors. theta energy: -174.821
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: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1791.450192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.450192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.450192 (E_RNA)
where:
Base-Base interactions energy: -1196.676
where: short stacking energy: -520.643
Base-Backbone interact. energy: -3.668
local terms energy: -591.106165
where:
bonds (distance) C4'-P energy: -112.449
bonds (distance) P-C4' energy: -108.947
flat angles C4'-P-C4' energy: -124.899
flat angles P-C4'-P energy: -80.404
tors. eta vs tors. theta energy: -164.406
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: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1678.038146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.038146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.038146 (E_RNA)
where:
Base-Base interactions energy: -1144.837
where: short stacking energy: -491.152
Base-Backbone interact. energy: -4.395
local terms energy: -528.806049
where:
bonds (distance) C4'-P energy: -107.506
bonds (distance) P-C4' energy: -86.351
flat angles C4'-P-C4' energy: -119.781
flat angles P-C4'-P energy: -81.814
tors. eta vs tors. theta energy: -133.354
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: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1613.263899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.263899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.263899 (E_RNA)
where:
Base-Base interactions energy: -1091.596
where: short stacking energy: -453.875
Base-Backbone interact. energy: -2.803
local terms energy: -518.864530
where:
bonds (distance) C4'-P energy: -110.081
bonds (distance) P-C4' energy: -98.460
flat angles C4'-P-C4' energy: -123.563
flat angles P-C4'-P energy: -63.150
tors. eta vs tors. theta energy: -123.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1478.367117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.367117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.367117 (E_RNA)
where:
Base-Base interactions energy: -1003.088
where: short stacking energy: -427.621
Base-Backbone interact. energy: 1.227
local terms energy: -476.505984
where:
bonds (distance) C4'-P energy: -95.951
bonds (distance) P-C4' energy: -99.762
flat angles C4'-P-C4' energy: -111.193
flat angles P-C4'-P energy: -60.777
tors. eta vs tors. theta energy: -108.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1319.746612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.746612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.746612 (E_RNA)
where:
Base-Base interactions energy: -863.263
where: short stacking energy: -403.275
Base-Backbone interact. energy: 2.661
local terms energy: -459.144289
where:
bonds (distance) C4'-P energy: -99.667
bonds (distance) P-C4' energy: -89.199
flat angles C4'-P-C4' energy: -103.026
flat angles P-C4'-P energy: -57.041
tors. eta vs tors. theta energy: -110.211
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: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1202.612677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.612677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.612677 (E_RNA)
where:
Base-Base interactions energy: -803.770
where: short stacking energy: -332.134
Base-Backbone interact. energy: -1.918
local terms energy: -396.925343
where:
bonds (distance) C4'-P energy: -72.219
bonds (distance) P-C4' energy: -79.293
flat angles C4'-P-C4' energy: -98.292
flat angles P-C4'-P energy: -63.513
tors. eta vs tors. theta energy: -83.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -886.666234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.666234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.666234 (E_RNA)
where:
Base-Base interactions energy: -532.295
where: short stacking energy: -247.582
Base-Backbone interact. energy: -2.180
local terms energy: -352.190813
where:
bonds (distance) C4'-P energy: -82.210
bonds (distance) P-C4' energy: -89.879
flat angles C4'-P-C4' energy: -80.225
flat angles P-C4'-P energy: -59.999
tors. eta vs tors. theta energy: -39.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -505.497343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.497343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.497343 (E_RNA)
where:
Base-Base interactions energy: -206.344
where: short stacking energy: -152.031
Base-Backbone interact. energy: -0.620
local terms energy: -298.533671
where:
bonds (distance) C4'-P energy: -80.706
bonds (distance) P-C4' energy: -86.377
flat angles C4'-P-C4' energy: -81.872
flat angles P-C4'-P energy: -43.287
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1914.336604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.336604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.336604 (E_RNA)
where:
Base-Base interactions energy: -1301.053
where: short stacking energy: -558.520
Base-Backbone interact. energy: -4.277
local terms energy: -609.006733
where:
bonds (distance) C4'-P energy: -115.692
bonds (distance) P-C4' energy: -112.143
flat angles C4'-P-C4' energy: -123.809
flat angles P-C4'-P energy: -88.994
tors. eta vs tors. theta energy: -168.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1856.706272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.706272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.706272 (E_RNA)
where:
Base-Base interactions energy: -1273.390
where: short stacking energy: -563.274
Base-Backbone interact. energy: -4.252
local terms energy: -579.064104
where:
bonds (distance) C4'-P energy: -101.701
bonds (distance) P-C4' energy: -106.405
flat angles C4'-P-C4' energy: -121.100
flat angles P-C4'-P energy: -73.216
tors. eta vs tors. theta energy: -176.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1798.514959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.514959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.514959 (E_RNA)
where:
Base-Base interactions energy: -1247.063
where: short stacking energy: -547.435
Base-Backbone interact. energy: -1.611
local terms energy: -549.840823
where:
bonds (distance) C4'-P energy: -107.120
bonds (distance) P-C4' energy: -82.238
flat angles C4'-P-C4' energy: -121.766
flat angles P-C4'-P energy: -79.784
tors. eta vs tors. theta energy: -158.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1650.113077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.113077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.113077 (E_RNA)
where:
Base-Base interactions energy: -1113.810
where: short stacking energy: -524.447
Base-Backbone interact. energy: -0.232
local terms energy: -536.070915
where:
bonds (distance) C4'-P energy: -87.823
bonds (distance) P-C4' energy: -94.571
flat angles C4'-P-C4' energy: -113.600
flat angles P-C4'-P energy: -84.983
tors. eta vs tors. theta energy: -155.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1626.706366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.706366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.706366 (E_RNA)
where:
Base-Base interactions energy: -1113.247
where: short stacking energy: -478.934
Base-Backbone interact. energy: -0.133
local terms energy: -513.326649
where:
bonds (distance) C4'-P energy: -98.869
bonds (distance) P-C4' energy: -113.219
flat angles C4'-P-C4' energy: -100.893
flat angles P-C4'-P energy: -64.141
tors. eta vs tors. theta energy: -136.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1437.517026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.517026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.517026 (E_RNA)
where:
Base-Base interactions energy: -947.960
where: short stacking energy: -394.502
Base-Backbone interact. energy: -0.777
local terms energy: -488.780204
where:
bonds (distance) C4'-P energy: -99.844
bonds (distance) P-C4' energy: -101.288
flat angles C4'-P-C4' energy: -100.935
flat angles P-C4'-P energy: -84.064
tors. eta vs tors. theta energy: -102.649
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: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1345.218095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.218095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.218095 (E_RNA)
where:
Base-Base interactions energy: -902.396
where: short stacking energy: -409.586
Base-Backbone interact. energy: 0.364
local terms energy: -443.185484
where:
bonds (distance) C4'-P energy: -89.937
bonds (distance) P-C4' energy: -100.845
flat angles C4'-P-C4' energy: -99.980
flat angles P-C4'-P energy: -57.347
tors. eta vs tors. theta energy: -95.077
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: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1215.407649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.407649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.407649 (E_RNA)
where:
Base-Base interactions energy: -792.384
where: short stacking energy: -339.594
Base-Backbone interact. energy: -2.757
local terms energy: -420.267004
where:
bonds (distance) C4'-P energy: -92.671
bonds (distance) P-C4' energy: -98.674
flat angles C4'-P-C4' energy: -96.692
flat angles P-C4'-P energy: -53.127
tors. eta vs tors. theta energy: -79.101
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: 282
Temperature: 1.300000
Total energy: -911.851836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.851836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.851836 (E_RNA)
where:
Base-Base interactions energy: -530.952
where: short stacking energy: -275.037
Base-Backbone interact. energy: 1.274
local terms energy: -382.173409
where:
bonds (distance) C4'-P energy: -87.105
bonds (distance) P-C4' energy: -101.723
flat angles C4'-P-C4' energy: -92.991
flat angles P-C4'-P energy: -58.175
tors. eta vs tors. theta energy: -42.178
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: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -437.046315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.046315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.046315 (E_RNA)
where:
Base-Base interactions energy: -165.074
where: short stacking energy: -120.556
Base-Backbone interact. energy: 0.988
local terms energy: -272.960395
where:
bonds (distance) C4'-P energy: -73.599
bonds (distance) P-C4' energy: -73.497
flat angles C4'-P-C4' energy: -88.854
flat angles P-C4'-P energy: -48.156
tors. eta vs tors. theta energy: 11.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1934.534569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.534569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.534569 (E_RNA)
where:
Base-Base interactions energy: -1326.508
where: short stacking energy: -560.397
Base-Backbone interact. energy: -2.256
local terms energy: -605.770123
where:
bonds (distance) C4'-P energy: -103.434
bonds (distance) P-C4' energy: -117.552
flat angles C4'-P-C4' energy: -131.731
flat angles P-C4'-P energy: -82.040
tors. eta vs tors. theta energy: -171.013
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: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1877.464140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.464140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.464140 (E_RNA)
where:
Base-Base interactions energy: -1275.142
where: short stacking energy: -570.432
Base-Backbone interact. energy: -2.189
local terms energy: -600.132822
where:
bonds (distance) C4'-P energy: -101.262
bonds (distance) P-C4' energy: -119.611
flat angles C4'-P-C4' energy: -119.645
flat angles P-C4'-P energy: -88.150
tors. eta vs tors. theta energy: -171.465
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: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1778.693768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.693768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.693768 (E_RNA)
where:
Base-Base interactions energy: -1198.831
where: short stacking energy: -523.250
Base-Backbone interact. energy: -0.513
local terms energy: -579.348987
where:
bonds (distance) C4'-P energy: -103.182
bonds (distance) P-C4' energy: -107.056
flat angles C4'-P-C4' energy: -121.524
flat angles P-C4'-P energy: -89.826
tors. eta vs tors. theta energy: -157.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1608.391470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.391470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.391470 (E_RNA)
where:
Base-Base interactions energy: -1101.526
where: short stacking energy: -484.598
Base-Backbone interact. energy: -1.204
local terms energy: -505.660948
where:
bonds (distance) C4'-P energy: -91.683
bonds (distance) P-C4' energy: -100.260
flat angles C4'-P-C4' energy: -112.620
flat angles P-C4'-P energy: -78.541
tors. eta vs tors. theta energy: -122.557
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: 283
Temperature: 1.100000
Total energy: -1591.564541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.564541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.564541 (E_RNA)
where:
Base-Base interactions energy: -1079.243
where: short stacking energy: -484.301
Base-Backbone interact. energy: -0.585
local terms energy: -511.736946
where:
bonds (distance) C4'-P energy: -110.127
bonds (distance) P-C4' energy: -90.090
flat angles C4'-P-C4' energy: -116.999
flat angles P-C4'-P energy: -56.025
tors. eta vs tors. theta energy: -138.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1449.126783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.126783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.126783 (E_RNA)
where:
Base-Base interactions energy: -992.009
where: short stacking energy: -389.448
Base-Backbone interact. energy: -2.049
local terms energy: -455.068891
where:
bonds (distance) C4'-P energy: -95.402
bonds (distance) P-C4' energy: -98.534
flat angles C4'-P-C4' energy: -97.379
flat angles P-C4'-P energy: -62.055
tors. eta vs tors. theta energy: -101.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1318.072237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.072237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.072237 (E_RNA)
where:
Base-Base interactions energy: -918.440
where: short stacking energy: -383.665
Base-Backbone interact. energy: -3.466
local terms energy: -396.165871
where:
bonds (distance) C4'-P energy: -88.015
bonds (distance) P-C4' energy: -91.152
flat angles C4'-P-C4' energy: -87.451
flat angles P-C4'-P energy: -51.349
tors. eta vs tors. theta energy: -78.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1263.119039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.119039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.119039 (E_RNA)
where:
Base-Base interactions energy: -845.159
where: short stacking energy: -352.524
Base-Backbone interact. energy: 1.706
local terms energy: -419.665540
where:
bonds (distance) C4'-P energy: -81.344
bonds (distance) P-C4' energy: -85.723
flat angles C4'-P-C4' energy: -105.818
flat angles P-C4'-P energy: -62.132
tors. eta vs tors. theta energy: -84.648
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: 283
Temperature: 1.300000
Total energy: -921.784587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.784587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.784587 (E_RNA)
where:
Base-Base interactions energy: -567.103
where: short stacking energy: -246.618
Base-Backbone interact. energy: -2.887
local terms energy: -351.794850
where:
bonds (distance) C4'-P energy: -67.116
bonds (distance) P-C4' energy: -103.073
flat angles C4'-P-C4' energy: -87.182
flat angles P-C4'-P energy: -46.434
tors. eta vs tors. theta energy: -47.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -427.323379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.323379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.323379 (E_RNA)
where:
Base-Base interactions energy: -130.632
where: short stacking energy: -108.839
Base-Backbone interact. energy: 0.741
local terms energy: -297.432007
where:
bonds (distance) C4'-P energy: -89.810
bonds (distance) P-C4' energy: -91.779
flat angles C4'-P-C4' energy: -83.330
flat angles P-C4'-P energy: -34.678
tors. eta vs tors. theta energy: 2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1947.498390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.498390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.498390 (E_RNA)
where:
Base-Base interactions energy: -1347.453
where: short stacking energy: -576.325
Base-Backbone interact. energy: -2.270
local terms energy: -597.775458
where:
bonds (distance) C4'-P energy: -103.019
bonds (distance) P-C4' energy: -110.616
flat angles C4'-P-C4' energy: -122.554
flat angles P-C4'-P energy: -87.559
tors. eta vs tors. theta energy: -174.028
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: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1861.900603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.900603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.900603 (E_RNA)
where:
Base-Base interactions energy: -1260.147
where: short stacking energy: -541.108
Base-Backbone interact. energy: -0.705
local terms energy: -601.049171
where:
bonds (distance) C4'-P energy: -116.258
bonds (distance) P-C4' energy: -111.880
flat angles C4'-P-C4' energy: -120.309
flat angles P-C4'-P energy: -82.188
tors. eta vs tors. theta energy: -170.414
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: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1754.903197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.903197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.903197 (E_RNA)
where:
Base-Base interactions energy: -1207.546
where: short stacking energy: -522.926
Base-Backbone interact. energy: -1.671
local terms energy: -545.686317
where:
bonds (distance) C4'-P energy: -90.046
bonds (distance) P-C4' energy: -104.867
flat angles C4'-P-C4' energy: -125.759
flat angles P-C4'-P energy: -84.104
tors. eta vs tors. theta energy: -140.910
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: 4, replica: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1670.696535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.696535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.696535 (E_RNA)
where:
Base-Base interactions energy: -1138.145
where: short stacking energy: -480.185
Base-Backbone interact. energy: -2.599
local terms energy: -529.952712
where:
bonds (distance) C4'-P energy: -105.636
bonds (distance) P-C4' energy: -94.418
flat angles C4'-P-C4' energy: -111.219
flat angles P-C4'-P energy: -80.028
tors. eta vs tors. theta energy: -138.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1541.567340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.567340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.567340 (E_RNA)
where:
Base-Base interactions energy: -1036.126
where: short stacking energy: -448.598
Base-Backbone interact. energy: -2.182
local terms energy: -503.259584
where:
bonds (distance) C4'-P energy: -90.563
bonds (distance) P-C4' energy: -99.422
flat angles C4'-P-C4' energy: -112.420
flat angles P-C4'-P energy: -75.031
tors. eta vs tors. theta energy: -125.823
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: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1510.831618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.831618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.831618 (E_RNA)
where:
Base-Base interactions energy: -1030.912
where: short stacking energy: -440.650
Base-Backbone interact. energy: 1.910
local terms energy: -481.829453
where:
bonds (distance) C4'-P energy: -99.558
bonds (distance) P-C4' energy: -82.944
flat angles C4'-P-C4' energy: -94.755
flat angles P-C4'-P energy: -76.521
tors. eta vs tors. theta energy: -128.051
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: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1359.506378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.506378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.506378 (E_RNA)
where:
Base-Base interactions energy: -900.880
where: short stacking energy: -369.005
Base-Backbone interact. energy: -1.449
local terms energy: -457.177357
where:
bonds (distance) C4'-P energy: -99.862
bonds (distance) P-C4' energy: -96.568
flat angles C4'-P-C4' energy: -108.999
flat angles P-C4'-P energy: -64.967
tors. eta vs tors. theta energy: -86.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1172.259712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.259712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.259712 (E_RNA)
where:
Base-Base interactions energy: -764.669
where: short stacking energy: -291.073
Base-Backbone interact. energy: 5.146
local terms energy: -412.736444
where:
bonds (distance) C4'-P energy: -88.837
bonds (distance) P-C4' energy: -106.239
flat angles C4'-P-C4' energy: -92.290
flat angles P-C4'-P energy: -62.459
tors. eta vs tors. theta energy: -62.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -923.125688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.125688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.125688 (E_RNA)
where:
Base-Base interactions energy: -560.848
where: short stacking energy: -241.689
Base-Backbone interact. energy: -0.634
local terms energy: -361.643369
where:
bonds (distance) C4'-P energy: -83.193
bonds (distance) P-C4' energy: -89.766
flat angles C4'-P-C4' energy: -99.948
flat angles P-C4'-P energy: -51.849
tors. eta vs tors. theta energy: -36.888
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: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -420.958455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.958455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.958455 (E_RNA)
where:
Base-Base interactions energy: -163.003
where: short stacking energy: -115.720
Base-Backbone interact. energy: 1.563
local terms energy: -259.519030
where:
bonds (distance) C4'-P energy: -94.196
bonds (distance) P-C4' energy: -88.019
flat angles C4'-P-C4' energy: -63.562
flat angles P-C4'-P energy: -44.516
tors. eta vs tors. theta energy: 30.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1949.179421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.179421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.179421 (E_RNA)
where:
Base-Base interactions energy: -1343.919
where: short stacking energy: -577.252
Base-Backbone interact. energy: -5.312
local terms energy: -599.948545
where:
bonds (distance) C4'-P energy: -100.589
bonds (distance) P-C4' energy: -115.739
flat angles C4'-P-C4' energy: -124.410
flat angles P-C4'-P energy: -81.054
tors. eta vs tors. theta energy: -178.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1873.637836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.637836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.637836 (E_RNA)
where:
Base-Base interactions energy: -1294.156
where: short stacking energy: -553.045
Base-Backbone interact. energy: -2.390
local terms energy: -577.091786
where:
bonds (distance) C4'-P energy: -105.128
bonds (distance) P-C4' energy: -102.438
flat angles C4'-P-C4' energy: -116.890
flat angles P-C4'-P energy: -79.601
tors. eta vs tors. theta energy: -173.035
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: 3, replica: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1811.429645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.429645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.429645 (E_RNA)
where:
Base-Base interactions energy: -1232.873
where: short stacking energy: -546.571
Base-Backbone interact. energy: -1.116
local terms energy: -577.440470
where:
bonds (distance) C4'-P energy: -91.037
bonds (distance) P-C4' energy: -114.298
flat angles C4'-P-C4' energy: -118.587
flat angles P-C4'-P energy: -86.032
tors. eta vs tors. theta energy: -167.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1649.352887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.352887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.352887 (E_RNA)
where:
Base-Base interactions energy: -1127.684
where: short stacking energy: -475.681
Base-Backbone interact. energy: -0.803
local terms energy: -520.866292
where:
bonds (distance) C4'-P energy: -118.031
bonds (distance) P-C4' energy: -101.423
flat angles C4'-P-C4' energy: -109.461
flat angles P-C4'-P energy: -63.150
tors. eta vs tors. theta energy: -128.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1581.818795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.818795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.818795 (E_RNA)
where:
Base-Base interactions energy: -1068.516
where: short stacking energy: -474.205
Base-Backbone interact. energy: 1.056
local terms energy: -514.358717
where:
bonds (distance) C4'-P energy: -84.946
bonds (distance) P-C4' energy: -107.096
flat angles C4'-P-C4' energy: -114.195
flat angles P-C4'-P energy: -68.777
tors. eta vs tors. theta energy: -139.344
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: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1493.010061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.010061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.010061 (E_RNA)
where:
Base-Base interactions energy: -1005.634
where: short stacking energy: -420.545
Base-Backbone interact. energy: -0.933
local terms energy: -486.442485
where:
bonds (distance) C4'-P energy: -90.897
bonds (distance) P-C4' energy: -100.212
flat angles C4'-P-C4' energy: -103.791
flat angles P-C4'-P energy: -76.963
tors. eta vs tors. theta energy: -114.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1407.276709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.276709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.276709 (E_RNA)
where:
Base-Base interactions energy: -948.415
where: short stacking energy: -417.961
Base-Backbone interact. energy: -2.783
local terms energy: -456.078951
where:
bonds (distance) C4'-P energy: -94.732
bonds (distance) P-C4' energy: -91.449
flat angles C4'-P-C4' energy: -93.988
flat angles P-C4'-P energy: -69.753
tors. eta vs tors. theta energy: -106.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1214.831248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.831248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.831248 (E_RNA)
where:
Base-Base interactions energy: -797.887
where: short stacking energy: -339.244
Base-Backbone interact. energy: -1.011
local terms energy: -415.933431
where:
bonds (distance) C4'-P energy: -85.897
bonds (distance) P-C4' energy: -97.959
flat angles C4'-P-C4' energy: -97.271
flat angles P-C4'-P energy: -67.412
tors. eta vs tors. theta energy: -67.394
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: 285
Temperature: 1.300000
Total energy: -899.085084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.085084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.085084 (E_RNA)
where:
Base-Base interactions energy: -542.565
where: short stacking energy: -245.675
Base-Backbone interact. energy: 0.185
local terms energy: -356.704949
where:
bonds (distance) C4'-P energy: -79.796
bonds (distance) P-C4' energy: -76.970
flat angles C4'-P-C4' energy: -88.598
flat angles P-C4'-P energy: -73.411
tors. eta vs tors. theta energy: -37.930
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: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -415.790405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.790405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.790405 (E_RNA)
where:
Base-Base interactions energy: -127.335
where: short stacking energy: -93.514
Base-Backbone interact. energy: -3.378
local terms energy: -285.077462
where:
bonds (distance) C4'-P energy: -76.150
bonds (distance) P-C4' energy: -103.698
flat angles C4'-P-C4' energy: -86.596
flat angles P-C4'-P energy: -43.944
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: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1930.207645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.207645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.207645 (E_RNA)
where:
Base-Base interactions energy: -1313.459
where: short stacking energy: -574.322
Base-Backbone interact. energy: -0.123
local terms energy: -616.625652
where:
bonds (distance) C4'-P energy: -106.145
bonds (distance) P-C4' energy: -119.543
flat angles C4'-P-C4' energy: -125.993
flat angles P-C4'-P energy: -82.406
tors. eta vs tors. theta energy: -182.538
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: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1834.175525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.175525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.175525 (E_RNA)
where:
Base-Base interactions energy: -1258.868
where: short stacking energy: -553.044
Base-Backbone interact. energy: -4.624
local terms energy: -570.683644
where:
bonds (distance) C4'-P energy: -112.086
bonds (distance) P-C4' energy: -101.986
flat angles C4'-P-C4' energy: -118.193
flat angles P-C4'-P energy: -78.038
tors. eta vs tors. theta energy: -160.381
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: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1785.468215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.468215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.468215 (E_RNA)
where:
Base-Base interactions energy: -1231.627
where: short stacking energy: -543.017
Base-Backbone interact. energy: -0.261
local terms energy: -553.580435
where:
bonds (distance) C4'-P energy: -99.399
bonds (distance) P-C4' energy: -101.047
flat angles C4'-P-C4' energy: -121.444
flat angles P-C4'-P energy: -70.605
tors. eta vs tors. theta energy: -161.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1654.472317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.472317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.472317 (E_RNA)
where:
Base-Base interactions energy: -1121.967
where: short stacking energy: -476.295
Base-Backbone interact. energy: -2.642
local terms energy: -529.863827
where:
bonds (distance) C4'-P energy: -113.306
bonds (distance) P-C4' energy: -107.208
flat angles C4'-P-C4' energy: -100.174
flat angles P-C4'-P energy: -73.778
tors. eta vs tors. theta energy: -135.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1538.156388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.156388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.156388 (E_RNA)
where:
Base-Base interactions energy: -1037.251
where: short stacking energy: -459.503
Base-Backbone interact. energy: 0.407
local terms energy: -501.313149
where:
bonds (distance) C4'-P energy: -92.844
bonds (distance) P-C4' energy: -94.847
flat angles C4'-P-C4' energy: -109.125
flat angles P-C4'-P energy: -70.200
tors. eta vs tors. theta energy: -134.297
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: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1462.444647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.444647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.444647 (E_RNA)
where:
Base-Base interactions energy: -1007.011
where: short stacking energy: -427.176
Base-Backbone interact. energy: 2.815
local terms energy: -458.249131
where:
bonds (distance) C4'-P energy: -73.203
bonds (distance) P-C4' energy: -104.923
flat angles C4'-P-C4' energy: -98.453
flat angles P-C4'-P energy: -61.587
tors. eta vs tors. theta energy: -120.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1358.428414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.428414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.428414 (E_RNA)
where:
Base-Base interactions energy: -911.703
where: short stacking energy: -377.120
Base-Backbone interact. energy: 0.226
local terms energy: -446.951122
where:
bonds (distance) C4'-P energy: -94.077
bonds (distance) P-C4' energy: -95.555
flat angles C4'-P-C4' energy: -106.531
flat angles P-C4'-P energy: -61.000
tors. eta vs tors. theta energy: -89.788
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: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1200.331445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.331445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.331445 (E_RNA)
where:
Base-Base interactions energy: -801.861
where: short stacking energy: -347.415
Base-Backbone interact. energy: 0.423
local terms energy: -398.893301
where:
bonds (distance) C4'-P energy: -73.897
bonds (distance) P-C4' energy: -84.411
flat angles C4'-P-C4' energy: -105.289
flat angles P-C4'-P energy: -62.842
tors. eta vs tors. theta energy: -72.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -893.328553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.328553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.328553 (E_RNA)
where:
Base-Base interactions energy: -546.582
where: short stacking energy: -265.465
Base-Backbone interact. energy: 3.282
local terms energy: -350.029404
where:
bonds (distance) C4'-P energy: -102.485
bonds (distance) P-C4' energy: -88.365
flat angles C4'-P-C4' energy: -60.834
flat angles P-C4'-P energy: -50.101
tors. eta vs tors. theta energy: -48.244
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: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -414.965660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.965660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.965660 (E_RNA)
where:
Base-Base interactions energy: -149.406
where: short stacking energy: -121.959
Base-Backbone interact. energy: 1.693
local terms energy: -267.253226
where:
bonds (distance) C4'-P energy: -83.058
bonds (distance) P-C4' energy: -93.459
flat angles C4'-P-C4' energy: -79.955
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: 7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1965.487833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.487833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.487833 (E_RNA)
where:
Base-Base interactions energy: -1367.877
where: short stacking energy: -582.465
Base-Backbone interact. energy: -2.201
local terms energy: -595.409443
where:
bonds (distance) C4'-P energy: -111.168
bonds (distance) P-C4' energy: -106.377
flat angles C4'-P-C4' energy: -126.801
flat angles P-C4'-P energy: -86.445
tors. eta vs tors. theta energy: -164.619
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: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1859.501594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.501594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.501594 (E_RNA)
where:
Base-Base interactions energy: -1279.312
where: short stacking energy: -554.669
Base-Backbone interact. energy: -3.650
local terms energy: -576.539508
where:
bonds (distance) C4'-P energy: -106.425
bonds (distance) P-C4' energy: -100.549
flat angles C4'-P-C4' energy: -128.687
flat angles P-C4'-P energy: -79.323
tors. eta vs tors. theta energy: -161.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1828.076731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.076731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.076731 (E_RNA)
where:
Base-Base interactions energy: -1254.075
where: short stacking energy: -530.477
Base-Backbone interact. energy: -2.192
local terms energy: -571.809561
where:
bonds (distance) C4'-P energy: -91.003
bonds (distance) P-C4' energy: -108.501
flat angles C4'-P-C4' energy: -125.302
flat angles P-C4'-P energy: -79.441
tors. eta vs tors. theta energy: -167.563
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: 4, replica: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1683.543526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.543526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.543526 (E_RNA)
where:
Base-Base interactions energy: -1143.403
where: short stacking energy: -496.607
Base-Backbone interact. energy: -2.192
local terms energy: -537.948880
where:
bonds (distance) C4'-P energy: -99.233
bonds (distance) P-C4' energy: -107.489
flat angles C4'-P-C4' energy: -118.664
flat angles P-C4'-P energy: -72.552
tors. eta vs tors. theta energy: -140.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1525.010328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.010328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.010328 (E_RNA)
where:
Base-Base interactions energy: -1045.186
where: short stacking energy: -430.363
Base-Backbone interact. energy: -0.578
local terms energy: -479.246859
where:
bonds (distance) C4'-P energy: -88.499
bonds (distance) P-C4' energy: -101.258
flat angles C4'-P-C4' energy: -106.615
flat angles P-C4'-P energy: -63.507
tors. eta vs tors. theta energy: -119.367
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: 6, replica: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1483.714559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.714559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.714559 (E_RNA)
where:
Base-Base interactions energy: -994.419
where: short stacking energy: -437.516
Base-Backbone interact. energy: -1.452
local terms energy: -487.843633
where:
bonds (distance) C4'-P energy: -82.587
bonds (distance) P-C4' energy: -93.374
flat angles C4'-P-C4' energy: -124.996
flat angles P-C4'-P energy: -68.920
tors. eta vs tors. theta energy: -117.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1346.687546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.687546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.687546 (E_RNA)
where:
Base-Base interactions energy: -891.701
where: short stacking energy: -375.541
Base-Backbone interact. energy: -3.817
local terms energy: -451.169061
where:
bonds (distance) C4'-P energy: -98.702
bonds (distance) P-C4' energy: -95.565
flat angles C4'-P-C4' energy: -101.541
flat angles P-C4'-P energy: -54.537
tors. eta vs tors. theta energy: -100.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1255.406035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.406035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.406035 (E_RNA)
where:
Base-Base interactions energy: -867.371
where: short stacking energy: -353.029
Base-Backbone interact. energy: -3.963
local terms energy: -384.071149
where:
bonds (distance) C4'-P energy: -89.099
bonds (distance) P-C4' energy: -81.768
flat angles C4'-P-C4' energy: -73.053
flat angles P-C4'-P energy: -61.766
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: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -905.046009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.046009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.046009 (E_RNA)
where:
Base-Base interactions energy: -544.212
where: short stacking energy: -247.573
Base-Backbone interact. energy: -1.948
local terms energy: -358.886911
where:
bonds (distance) C4'-P energy: -75.622
bonds (distance) P-C4' energy: -80.675
flat angles C4'-P-C4' energy: -92.840
flat angles P-C4'-P energy: -61.631
tors. eta vs tors. theta energy: -48.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -435.431082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.431082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.431082 (E_RNA)
where:
Base-Base interactions energy: -142.716
where: short stacking energy: -125.533
Base-Backbone interact. energy: -0.811
local terms energy: -291.903879
where:
bonds (distance) C4'-P energy: -81.391
bonds (distance) P-C4' energy: -68.623
flat angles C4'-P-C4' energy: -78.110
flat angles P-C4'-P energy: -60.016
tors. eta vs tors. theta energy: -3.763
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: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1967.407937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.407937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.407937 (E_RNA)
where:
Base-Base interactions energy: -1354.360
where: short stacking energy: -591.457
Base-Backbone interact. energy: -3.783
local terms energy: -609.264493
where:
bonds (distance) C4'-P energy: -107.523
bonds (distance) P-C4' energy: -105.123
flat angles C4'-P-C4' energy: -126.511
flat angles P-C4'-P energy: -89.781
tors. eta vs tors. theta energy: -180.326
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: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1823.160057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.160057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.160057 (E_RNA)
where:
Base-Base interactions energy: -1253.653
where: short stacking energy: -550.977
Base-Backbone interact. energy: -1.159
local terms energy: -568.348529
where:
bonds (distance) C4'-P energy: -105.600
bonds (distance) P-C4' energy: -109.576
flat angles C4'-P-C4' energy: -120.018
flat angles P-C4'-P energy: -81.858
tors. eta vs tors. theta energy: -151.297
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: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1800.659992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.659992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.659992 (E_RNA)
where:
Base-Base interactions energy: -1240.844
where: short stacking energy: -520.584
Base-Backbone interact. energy: -0.986
local terms energy: -558.830613
where:
bonds (distance) C4'-P energy: -91.752
bonds (distance) P-C4' energy: -109.774
flat angles C4'-P-C4' energy: -123.547
flat angles P-C4'-P energy: -77.109
tors. eta vs tors. theta energy: -156.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1631.358212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.358212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.358212 (E_RNA)
where:
Base-Base interactions energy: -1105.218
where: short stacking energy: -469.568
Base-Backbone interact. energy: -5.310
local terms energy: -520.829881
where:
bonds (distance) C4'-P energy: -102.114
bonds (distance) P-C4' energy: -101.822
flat angles C4'-P-C4' energy: -110.169
flat angles P-C4'-P energy: -71.490
tors. eta vs tors. theta energy: -135.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1552.167841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.167841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.167841 (E_RNA)
where:
Base-Base interactions energy: -1032.439
where: short stacking energy: -452.590
Base-Backbone interact. energy: -2.479
local terms energy: -517.250624
where:
bonds (distance) C4'-P energy: -99.868
bonds (distance) P-C4' energy: -108.337
flat angles C4'-P-C4' energy: -115.101
flat angles P-C4'-P energy: -69.625
tors. eta vs tors. theta energy: -124.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1457.823569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.823569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.823569 (E_RNA)
where:
Base-Base interactions energy: -981.324
where: short stacking energy: -412.222
Base-Backbone interact. energy: -1.461
local terms energy: -475.038665
where:
bonds (distance) C4'-P energy: -88.329
bonds (distance) P-C4' energy: -87.024
flat angles C4'-P-C4' energy: -110.029
flat angles P-C4'-P energy: -76.584
tors. eta vs tors. theta energy: -113.072
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: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1420.721964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.721964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.721964 (E_RNA)
where:
Base-Base interactions energy: -961.615
where: short stacking energy: -420.210
Base-Backbone interact. energy: -1.443
local terms energy: -457.663289
where:
bonds (distance) C4'-P energy: -105.564
bonds (distance) P-C4' energy: -81.947
flat angles C4'-P-C4' energy: -105.459
flat angles P-C4'-P energy: -59.745
tors. eta vs tors. theta energy: -104.949
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: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1271.605111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.605111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.605111 (E_RNA)
where:
Base-Base interactions energy: -855.852
where: short stacking energy: -376.842
Base-Backbone interact. energy: -0.558
local terms energy: -415.194963
where:
bonds (distance) C4'-P energy: -94.976
bonds (distance) P-C4' energy: -79.945
flat angles C4'-P-C4' energy: -111.659
flat angles P-C4'-P energy: -46.373
tors. eta vs tors. theta energy: -82.242
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: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -891.014342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.014342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.014342 (E_RNA)
where:
Base-Base interactions energy: -542.872
where: short stacking energy: -257.335
Base-Backbone interact. energy: 1.367
local terms energy: -349.509277
where:
bonds (distance) C4'-P energy: -88.488
bonds (distance) P-C4' energy: -96.618
flat angles C4'-P-C4' energy: -92.364
flat angles P-C4'-P energy: -45.185
tors. eta vs tors. theta energy: -26.854
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: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -414.386693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.386693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.386693 (E_RNA)
where:
Base-Base interactions energy: -124.527
where: short stacking energy: -93.078
Base-Backbone interact. energy: 1.598
local terms energy: -291.457764
where:
bonds (distance) C4'-P energy: -86.102
bonds (distance) P-C4' energy: -100.992
flat angles C4'-P-C4' energy: -83.282
flat angles P-C4'-P energy: -53.300
tors. eta vs tors. theta energy: 32.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1937.431854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.431854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.431854 (E_RNA)
where:
Base-Base interactions energy: -1328.747
where: short stacking energy: -577.097
Base-Backbone interact. energy: -5.598
local terms energy: -603.086632
where:
bonds (distance) C4'-P energy: -108.720
bonds (distance) P-C4' energy: -112.161
flat angles C4'-P-C4' energy: -127.027
flat angles P-C4'-P energy: -77.382
tors. eta vs tors. theta energy: -177.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1859.620412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.620412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.620412 (E_RNA)
where:
Base-Base interactions energy: -1258.445
where: short stacking energy: -543.460
Base-Backbone interact. energy: -1.697
local terms energy: -599.478470
where:
bonds (distance) C4'-P energy: -100.486
bonds (distance) P-C4' energy: -107.257
flat angles C4'-P-C4' energy: -131.648
flat angles P-C4'-P energy: -89.858
tors. eta vs tors. theta energy: -170.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1783.173255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.173255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.173255 (E_RNA)
where:
Base-Base interactions energy: -1233.191
where: short stacking energy: -518.110
Base-Backbone interact. energy: -1.599
local terms energy: -548.383339
where:
bonds (distance) C4'-P energy: -110.180
bonds (distance) P-C4' energy: -103.612
flat angles C4'-P-C4' energy: -112.676
flat angles P-C4'-P energy: -79.615
tors. eta vs tors. theta energy: -142.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1638.992250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.992250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.992250 (E_RNA)
where:
Base-Base interactions energy: -1136.672
where: short stacking energy: -476.095
Base-Backbone interact. energy: -2.952
local terms energy: -499.368294
where:
bonds (distance) C4'-P energy: -88.333
bonds (distance) P-C4' energy: -95.554
flat angles C4'-P-C4' energy: -111.064
flat angles P-C4'-P energy: -76.413
tors. eta vs tors. theta energy: -128.004
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: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1568.744996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.744996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.744996 (E_RNA)
where:
Base-Base interactions energy: -1060.650
where: short stacking energy: -460.180
Base-Backbone interact. energy: -0.473
local terms energy: -507.621953
where:
bonds (distance) C4'-P energy: -91.953
bonds (distance) P-C4' energy: -105.490
flat angles C4'-P-C4' energy: -105.861
flat angles P-C4'-P energy: -80.976
tors. eta vs tors. theta energy: -123.341
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: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1421.908517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.908517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.908517 (E_RNA)
where:
Base-Base interactions energy: -944.932
where: short stacking energy: -411.061
Base-Backbone interact. energy: -1.886
local terms energy: -475.091109
where:
bonds (distance) C4'-P energy: -97.840
bonds (distance) P-C4' energy: -103.993
flat angles C4'-P-C4' energy: -102.886
flat angles P-C4'-P energy: -59.027
tors. eta vs tors. theta energy: -111.346
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: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1454.496353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.496353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.496353 (E_RNA)
where:
Base-Base interactions energy: -968.184
where: short stacking energy: -422.067
Base-Backbone interact. energy: -1.873
local terms energy: -484.439696
where:
bonds (distance) C4'-P energy: -103.772
bonds (distance) P-C4' energy: -106.511
flat angles C4'-P-C4' energy: -97.817
flat angles P-C4'-P energy: -71.594
tors. eta vs tors. theta energy: -104.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1284.503152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.503152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.503152 (E_RNA)
where:
Base-Base interactions energy: -874.239
where: short stacking energy: -373.965
Base-Backbone interact. energy: -3.465
local terms energy: -406.798939
where:
bonds (distance) C4'-P energy: -85.818
bonds (distance) P-C4' energy: -76.938
flat angles C4'-P-C4' energy: -96.827
flat angles P-C4'-P energy: -58.467
tors. eta vs tors. theta energy: -88.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -878.252650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.252650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.252650 (E_RNA)
where:
Base-Base interactions energy: -523.926
where: short stacking energy: -235.266
Base-Backbone interact. energy: 0.241
local terms energy: -354.568336
where:
bonds (distance) C4'-P energy: -94.560
bonds (distance) P-C4' energy: -79.348
flat angles C4'-P-C4' energy: -83.477
flat angles P-C4'-P energy: -56.506
tors. eta vs tors. theta energy: -40.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -425.236833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.236833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.236833 (E_RNA)
where:
Base-Base interactions energy: -144.526
where: short stacking energy: -115.258
Base-Backbone interact. energy: 6.149
local terms energy: -286.859501
where:
bonds (distance) C4'-P energy: -96.230
bonds (distance) P-C4' energy: -95.250
flat angles C4'-P-C4' energy: -68.403
flat angles P-C4'-P energy: -41.092
tors. eta vs tors. theta energy: 14.116
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: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1923.104735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.104735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.104735 (E_RNA)
where:
Base-Base interactions energy: -1317.780
where: short stacking energy: -559.007
Base-Backbone interact. energy: 3.920
local terms energy: -609.245209
where:
bonds (distance) C4'-P energy: -103.252
bonds (distance) P-C4' energy: -113.066
flat angles C4'-P-C4' energy: -137.302
flat angles P-C4'-P energy: -83.259
tors. eta vs tors. theta energy: -172.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1862.139061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.139061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.139061 (E_RNA)
where:
Base-Base interactions energy: -1281.194
where: short stacking energy: -553.665
Base-Backbone interact. energy: -5.046
local terms energy: -575.898722
where:
bonds (distance) C4'-P energy: -89.429
bonds (distance) P-C4' energy: -112.060
flat angles C4'-P-C4' energy: -126.443
flat angles P-C4'-P energy: -79.191
tors. eta vs tors. theta energy: -168.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1801.124688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.124688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.124688 (E_RNA)
where:
Base-Base interactions energy: -1213.560
where: short stacking energy: -543.994
Base-Backbone interact. energy: -1.246
local terms energy: -586.318695
where:
bonds (distance) C4'-P energy: -111.394
bonds (distance) P-C4' energy: -110.725
flat angles C4'-P-C4' energy: -126.679
flat angles P-C4'-P energy: -81.556
tors. eta vs tors. theta energy: -155.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1693.653222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.653222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.653222 (E_RNA)
where:
Base-Base interactions energy: -1156.396
where: short stacking energy: -520.872
Base-Backbone interact. energy: -1.217
local terms energy: -536.040104
where:
bonds (distance) C4'-P energy: -91.304
bonds (distance) P-C4' energy: -100.950
flat angles C4'-P-C4' energy: -125.694
flat angles P-C4'-P energy: -65.222
tors. eta vs tors. theta energy: -152.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1562.420658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.420658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.420658 (E_RNA)
where:
Base-Base interactions energy: -1062.470
where: short stacking energy: -480.398
Base-Backbone interact. energy: 0.465
local terms energy: -500.415817
where:
bonds (distance) C4'-P energy: -94.320
bonds (distance) P-C4' energy: -101.063
flat angles C4'-P-C4' energy: -104.858
flat angles P-C4'-P energy: -72.676
tors. eta vs tors. theta energy: -127.499
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: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1496.905054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.905054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.905054 (E_RNA)
where:
Base-Base interactions energy: -1017.952
where: short stacking energy: -419.864
Base-Backbone interact. energy: 0.444
local terms energy: -479.396925
where:
bonds (distance) C4'-P energy: -76.782
bonds (distance) P-C4' energy: -101.417
flat angles C4'-P-C4' energy: -114.707
flat angles P-C4'-P energy: -71.827
tors. eta vs tors. theta energy: -114.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1429.405022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.405022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.405022 (E_RNA)
where:
Base-Base interactions energy: -970.635
where: short stacking energy: -419.613
Base-Backbone interact. energy: 0.679
local terms energy: -459.449451
where:
bonds (distance) C4'-P energy: -87.033
bonds (distance) P-C4' energy: -89.064
flat angles C4'-P-C4' energy: -106.818
flat angles P-C4'-P energy: -65.820
tors. eta vs tors. theta energy: -110.714
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: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1307.593489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.593489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.593489 (E_RNA)
where:
Base-Base interactions energy: -871.530
where: short stacking energy: -374.077
Base-Backbone interact. energy: -2.204
local terms energy: -433.859276
where:
bonds (distance) C4'-P energy: -73.907
bonds (distance) P-C4' energy: -94.393
flat angles C4'-P-C4' energy: -98.834
flat angles P-C4'-P energy: -76.150
tors. eta vs tors. theta energy: -90.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -916.217719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.217719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.217719 (E_RNA)
where:
Base-Base interactions energy: -544.734
where: short stacking energy: -256.160
Base-Backbone interact. energy: -0.069
local terms energy: -371.415193
where:
bonds (distance) C4'-P energy: -72.130
bonds (distance) P-C4' energy: -99.311
flat angles C4'-P-C4' energy: -91.493
flat angles P-C4'-P energy: -58.816
tors. eta vs tors. theta energy: -49.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -447.434975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.434975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.434975 (E_RNA)
where:
Base-Base interactions energy: -172.088
where: short stacking energy: -137.241
Base-Backbone interact. energy: 2.931
local terms energy: -278.278719
where:
bonds (distance) C4'-P energy: -81.130
bonds (distance) P-C4' energy: -90.605
flat angles C4'-P-C4' energy: -76.698
flat angles P-C4'-P energy: -38.638
tors. eta vs tors. theta energy: 8.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1917.835807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.835807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.835807 (E_RNA)
where:
Base-Base interactions energy: -1337.169
where: short stacking energy: -564.849
Base-Backbone interact. energy: 1.966
local terms energy: -582.632683
where:
bonds (distance) C4'-P energy: -100.392
bonds (distance) P-C4' energy: -100.017
flat angles C4'-P-C4' energy: -123.029
flat angles P-C4'-P energy: -83.588
tors. eta vs tors. theta energy: -175.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1861.513323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.513323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.513323 (E_RNA)
where:
Base-Base interactions energy: -1283.878
where: short stacking energy: -544.862
Base-Backbone interact. energy: 1.899
local terms energy: -579.534551
where:
bonds (distance) C4'-P energy: -103.395
bonds (distance) P-C4' energy: -111.376
flat angles C4'-P-C4' energy: -120.988
flat angles P-C4'-P energy: -78.470
tors. eta vs tors. theta energy: -165.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1775.920722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.920722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.920722 (E_RNA)
where:
Base-Base interactions energy: -1218.565
where: short stacking energy: -510.731
Base-Backbone interact. energy: -3.096
local terms energy: -554.259644
where:
bonds (distance) C4'-P energy: -90.355
bonds (distance) P-C4' energy: -110.344
flat angles C4'-P-C4' energy: -112.785
flat angles P-C4'-P energy: -88.133
tors. eta vs tors. theta energy: -152.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1694.437091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.437091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.437091 (E_RNA)
where:
Base-Base interactions energy: -1154.453
where: short stacking energy: -480.698
Base-Backbone interact. energy: -0.465
local terms energy: -539.518576
where:
bonds (distance) C4'-P energy: -90.156
bonds (distance) P-C4' energy: -104.982
flat angles C4'-P-C4' energy: -109.176
flat angles P-C4'-P energy: -82.705
tors. eta vs tors. theta energy: -152.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1551.161113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.161113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.161113 (E_RNA)
where:
Base-Base interactions energy: -1040.157
where: short stacking energy: -469.865
Base-Backbone interact. energy: 1.323
local terms energy: -512.327106
where:
bonds (distance) C4'-P energy: -91.759
bonds (distance) P-C4' energy: -105.411
flat angles C4'-P-C4' energy: -109.533
flat angles P-C4'-P energy: -74.153
tors. eta vs tors. theta energy: -131.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1500.046417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.046417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.046417 (E_RNA)
where:
Base-Base interactions energy: -1005.152
where: short stacking energy: -421.201
Base-Backbone interact. energy: -0.473
local terms energy: -494.422315
where:
bonds (distance) C4'-P energy: -97.088
bonds (distance) P-C4' energy: -104.268
flat angles C4'-P-C4' energy: -115.248
flat angles P-C4'-P energy: -70.441
tors. eta vs tors. theta energy: -107.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1415.428257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.428257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.428257 (E_RNA)
where:
Base-Base interactions energy: -980.720
where: short stacking energy: -406.350
Base-Backbone interact. energy: 2.705
local terms energy: -437.412652
where:
bonds (distance) C4'-P energy: -90.053
bonds (distance) P-C4' energy: -95.719
flat angles C4'-P-C4' energy: -97.890
flat angles P-C4'-P energy: -51.904
tors. eta vs tors. theta energy: -101.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1302.114476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.114476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.114476 (E_RNA)
where:
Base-Base interactions energy: -877.451
where: short stacking energy: -368.476
Base-Backbone interact. energy: -1.903
local terms energy: -422.760713
where:
bonds (distance) C4'-P energy: -91.809
bonds (distance) P-C4' energy: -90.945
flat angles C4'-P-C4' energy: -90.955
flat angles P-C4'-P energy: -57.339
tors. eta vs tors. theta energy: -91.713
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: 291
Temperature: 1.300000
Total energy: -993.234357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.234357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.234357 (E_RNA)
where:
Base-Base interactions energy: -617.058
where: short stacking energy: -293.128
Base-Backbone interact. energy: 0.100
local terms energy: -376.276260
where:
bonds (distance) C4'-P energy: -81.897
bonds (distance) P-C4' energy: -81.261
flat angles C4'-P-C4' energy: -95.211
flat angles P-C4'-P energy: -51.509
tors. eta vs tors. theta energy: -66.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -443.767136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.767136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.767136 (E_RNA)
where:
Base-Base interactions energy: -153.610
where: short stacking energy: -126.941
Base-Backbone interact. energy: 1.046
local terms energy: -291.203538
where:
bonds (distance) C4'-P energy: -77.276
bonds (distance) P-C4' energy: -98.467
flat angles C4'-P-C4' energy: -92.284
flat angles P-C4'-P energy: -42.477
tors. eta vs tors. theta energy: 19.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1915.983347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.983347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.983347 (E_RNA)
where:
Base-Base interactions energy: -1313.361
where: short stacking energy: -563.872
Base-Backbone interact. energy: 0.950
local terms energy: -603.573029
where:
bonds (distance) C4'-P energy: -113.543
bonds (distance) P-C4' energy: -100.613
flat angles C4'-P-C4' energy: -126.346
flat angles P-C4'-P energy: -90.638
tors. eta vs tors. theta energy: -172.433
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: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1869.428906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.428906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.428906 (E_RNA)
where:
Base-Base interactions energy: -1264.348
where: short stacking energy: -548.944
Base-Backbone interact. energy: -3.984
local terms energy: -601.096579
where:
bonds (distance) C4'-P energy: -106.874
bonds (distance) P-C4' energy: -120.755
flat angles C4'-P-C4' energy: -121.881
flat angles P-C4'-P energy: -92.592
tors. eta vs tors. theta energy: -158.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1801.873836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.873836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.873836 (E_RNA)
where:
Base-Base interactions energy: -1254.536
where: short stacking energy: -525.443
Base-Backbone interact. energy: -3.112
local terms energy: -544.225013
where:
bonds (distance) C4'-P energy: -94.682
bonds (distance) P-C4' energy: -100.054
flat angles C4'-P-C4' energy: -124.320
flat angles P-C4'-P energy: -68.371
tors. eta vs tors. theta energy: -156.799
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: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1652.137853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.137853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.137853 (E_RNA)
where:
Base-Base interactions energy: -1148.250
where: short stacking energy: -481.369
Base-Backbone interact. energy: -4.616
local terms energy: -499.271311
where:
bonds (distance) C4'-P energy: -89.302
bonds (distance) P-C4' energy: -99.126
flat angles C4'-P-C4' energy: -105.686
flat angles P-C4'-P energy: -76.338
tors. eta vs tors. theta energy: -128.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1585.437329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.437329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.437329 (E_RNA)
where:
Base-Base interactions energy: -1062.511
where: short stacking energy: -462.460
Base-Backbone interact. energy: -2.087
local terms energy: -520.839079
where:
bonds (distance) C4'-P energy: -96.226
bonds (distance) P-C4' energy: -101.787
flat angles C4'-P-C4' energy: -114.557
flat angles P-C4'-P energy: -71.336
tors. eta vs tors. theta energy: -136.933
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: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1490.175016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.175016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.175016 (E_RNA)
where:
Base-Base interactions energy: -1017.612
where: short stacking energy: -448.992
Base-Backbone interact. energy: -1.065
local terms energy: -471.497659
where:
bonds (distance) C4'-P energy: -100.324
bonds (distance) P-C4' energy: -84.636
flat angles C4'-P-C4' energy: -101.330
flat angles P-C4'-P energy: -58.483
tors. eta vs tors. theta energy: -126.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1375.542013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.542013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.542013 (E_RNA)
where:
Base-Base interactions energy: -925.668
where: short stacking energy: -385.305
Base-Backbone interact. energy: 1.367
local terms energy: -451.240367
where:
bonds (distance) C4'-P energy: -85.485
bonds (distance) P-C4' energy: -94.564
flat angles C4'-P-C4' energy: -102.195
flat angles P-C4'-P energy: -62.910
tors. eta vs tors. theta energy: -106.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1245.086212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.086212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.086212 (E_RNA)
where:
Base-Base interactions energy: -839.246
where: short stacking energy: -347.731
Base-Backbone interact. energy: -2.187
local terms energy: -403.653879
where:
bonds (distance) C4'-P energy: -86.355
bonds (distance) P-C4' energy: -84.142
flat angles C4'-P-C4' energy: -98.520
flat angles P-C4'-P energy: -53.321
tors. eta vs tors. theta energy: -81.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -913.778724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.778724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.778724 (E_RNA)
where:
Base-Base interactions energy: -566.944
where: short stacking energy: -258.703
Base-Backbone interact. energy: -2.321
local terms energy: -344.513866
where:
bonds (distance) C4'-P energy: -81.892
bonds (distance) P-C4' energy: -79.463
flat angles C4'-P-C4' energy: -87.445
flat angles P-C4'-P energy: -58.741
tors. eta vs tors. theta energy: -36.974
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: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -428.083085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.083085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.083085 (E_RNA)
where:
Base-Base interactions energy: -151.302
where: short stacking energy: -141.275
Base-Backbone interact. energy: -2.519
local terms energy: -274.262278
where:
bonds (distance) C4'-P energy: -93.969
bonds (distance) P-C4' energy: -89.679
flat angles C4'-P-C4' energy: -78.776
flat angles P-C4'-P energy: -36.638
tors. eta vs tors. theta energy: 24.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1924.130132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.130132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.130132 (E_RNA)
where:
Base-Base interactions energy: -1309.777
where: short stacking energy: -568.793
Base-Backbone interact. energy: -4.616
local terms energy: -609.737732
where:
bonds (distance) C4'-P energy: -113.077
bonds (distance) P-C4' energy: -119.018
flat angles C4'-P-C4' energy: -125.554
flat angles P-C4'-P energy: -81.752
tors. eta vs tors. theta energy: -170.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1884.353943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.353943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.353943 (E_RNA)
where:
Base-Base interactions energy: -1277.733
where: short stacking energy: -555.412
Base-Backbone interact. energy: -2.975
local terms energy: -603.646111
where:
bonds (distance) C4'-P energy: -110.771
bonds (distance) P-C4' energy: -118.657
flat angles C4'-P-C4' energy: -122.347
flat angles P-C4'-P energy: -87.098
tors. eta vs tors. theta energy: -164.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1788.501299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.501299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.501299 (E_RNA)
where:
Base-Base interactions energy: -1226.339
where: short stacking energy: -541.541
Base-Backbone interact. energy: -0.970
local terms energy: -561.192343
where:
bonds (distance) C4'-P energy: -97.159
bonds (distance) P-C4' energy: -103.588
flat angles C4'-P-C4' energy: -114.365
flat angles P-C4'-P energy: -85.866
tors. eta vs tors. theta energy: -160.214
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: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1661.208137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.208137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.208137 (E_RNA)
where:
Base-Base interactions energy: -1131.307
where: short stacking energy: -481.208
Base-Backbone interact. energy: 2.116
local terms energy: -532.017374
where:
bonds (distance) C4'-P energy: -99.554
bonds (distance) P-C4' energy: -107.265
flat angles C4'-P-C4' energy: -111.117
flat angles P-C4'-P energy: -82.739
tors. eta vs tors. theta energy: -131.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1543.158462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.158462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.158462 (E_RNA)
where:
Base-Base interactions energy: -1056.796
where: short stacking energy: -433.238
Base-Backbone interact. energy: -0.083
local terms energy: -486.279730
where:
bonds (distance) C4'-P energy: -84.342
bonds (distance) P-C4' energy: -112.489
flat angles C4'-P-C4' energy: -112.186
flat angles P-C4'-P energy: -77.180
tors. eta vs tors. theta energy: -100.082
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: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1479.262806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.262806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.262806 (E_RNA)
where:
Base-Base interactions energy: -1012.340
where: short stacking energy: -440.160
Base-Backbone interact. energy: -2.344
local terms energy: -464.577900
where:
bonds (distance) C4'-P energy: -80.301
bonds (distance) P-C4' energy: -92.894
flat angles C4'-P-C4' energy: -105.998
flat angles P-C4'-P energy: -63.640
tors. eta vs tors. theta energy: -121.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1434.757115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.757115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.757115 (E_RNA)
where:
Base-Base interactions energy: -952.308
where: short stacking energy: -391.464
Base-Backbone interact. energy: -0.186
local terms energy: -482.263509
where:
bonds (distance) C4'-P energy: -86.846
bonds (distance) P-C4' energy: -99.092
flat angles C4'-P-C4' energy: -109.997
flat angles P-C4'-P energy: -80.446
tors. eta vs tors. theta energy: -105.882
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: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1245.098413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.098413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.098413 (E_RNA)
where:
Base-Base interactions energy: -830.066
where: short stacking energy: -342.157
Base-Backbone interact. energy: -1.806
local terms energy: -413.226752
where:
bonds (distance) C4'-P energy: -93.331
bonds (distance) P-C4' energy: -77.503
flat angles C4'-P-C4' energy: -98.271
flat angles P-C4'-P energy: -60.295
tors. eta vs tors. theta energy: -83.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -947.283681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.283681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.283681 (E_RNA)
where:
Base-Base interactions energy: -581.166
where: short stacking energy: -259.874
Base-Backbone interact. energy: -3.033
local terms energy: -363.084282
where:
bonds (distance) C4'-P energy: -89.400
bonds (distance) P-C4' energy: -97.386
flat angles C4'-P-C4' energy: -90.453
flat angles P-C4'-P energy: -43.078
tors. eta vs tors. theta energy: -42.769
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: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -510.716559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.716559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.716559 (E_RNA)
where:
Base-Base interactions energy: -212.607
where: short stacking energy: -142.311
Base-Backbone interact. energy: -1.241
local terms energy: -296.869015
where:
bonds (distance) C4'-P energy: -89.054
bonds (distance) P-C4' energy: -84.799
flat angles C4'-P-C4' energy: -64.785
flat angles P-C4'-P energy: -71.924
tors. eta vs tors. theta energy: 13.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1909.133272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.133272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.133272 (E_RNA)
where:
Base-Base interactions energy: -1305.945
where: short stacking energy: -561.203
Base-Backbone interact. energy: -4.313
local terms energy: -598.875260
where:
bonds (distance) C4'-P energy: -118.393
bonds (distance) P-C4' energy: -116.185
flat angles C4'-P-C4' energy: -114.080
flat angles P-C4'-P energy: -82.415
tors. eta vs tors. theta energy: -167.802
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: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1900.174287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.174287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.174287 (E_RNA)
where:
Base-Base interactions energy: -1317.904
where: short stacking energy: -569.249
Base-Backbone interact. energy: 0.042
local terms energy: -582.312130
where:
bonds (distance) C4'-P energy: -98.758
bonds (distance) P-C4' energy: -103.562
flat angles C4'-P-C4' energy: -129.884
flat angles P-C4'-P energy: -83.771
tors. eta vs tors. theta energy: -166.337
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: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1814.370327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.370327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.370327 (E_RNA)
where:
Base-Base interactions energy: -1251.713
where: short stacking energy: -529.641
Base-Backbone interact. energy: -0.939
local terms energy: -561.718297
where:
bonds (distance) C4'-P energy: -108.350
bonds (distance) P-C4' energy: -92.291
flat angles C4'-P-C4' energy: -114.907
flat angles P-C4'-P energy: -82.272
tors. eta vs tors. theta energy: -163.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1682.830494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.830494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.830494 (E_RNA)
where:
Base-Base interactions energy: -1150.481
where: short stacking energy: -478.294
Base-Backbone interact. energy: -3.750
local terms energy: -528.598721
where:
bonds (distance) C4'-P energy: -111.726
bonds (distance) P-C4' energy: -90.489
flat angles C4'-P-C4' energy: -111.859
flat angles P-C4'-P energy: -79.911
tors. eta vs tors. theta energy: -134.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1558.871708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.871708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.871708 (E_RNA)
where:
Base-Base interactions energy: -1045.754
where: short stacking energy: -469.539
Base-Backbone interact. energy: 1.422
local terms energy: -514.539601
where:
bonds (distance) C4'-P energy: -104.214
bonds (distance) P-C4' energy: -90.487
flat angles C4'-P-C4' energy: -107.558
flat angles P-C4'-P energy: -73.306
tors. eta vs tors. theta energy: -138.974
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: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1507.996187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.996187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.996187 (E_RNA)
where:
Base-Base interactions energy: -1023.145
where: short stacking energy: -416.611
Base-Backbone interact. energy: 0.321
local terms energy: -485.171934
where:
bonds (distance) C4'-P energy: -103.612
bonds (distance) P-C4' energy: -93.468
flat angles C4'-P-C4' energy: -99.273
flat angles P-C4'-P energy: -68.918
tors. eta vs tors. theta energy: -119.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1393.783954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.783954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.783954 (E_RNA)
where:
Base-Base interactions energy: -951.404
where: short stacking energy: -406.247
Base-Backbone interact. energy: -1.969
local terms energy: -440.410542
where:
bonds (distance) C4'-P energy: -87.994
bonds (distance) P-C4' energy: -89.952
flat angles C4'-P-C4' energy: -98.072
flat angles P-C4'-P energy: -60.098
tors. eta vs tors. theta energy: -104.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1278.676697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.676697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.676697 (E_RNA)
where:
Base-Base interactions energy: -858.238
where: short stacking energy: -375.093
Base-Backbone interact. energy: -0.282
local terms energy: -420.156560
where:
bonds (distance) C4'-P energy: -86.454
bonds (distance) P-C4' energy: -81.610
flat angles C4'-P-C4' energy: -96.186
flat angles P-C4'-P energy: -59.493
tors. eta vs tors. theta energy: -96.414
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: 294
Temperature: 1.300000
Total energy: -919.364821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.364821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.364821 (E_RNA)
where:
Base-Base interactions energy: -592.872
where: short stacking energy: -262.657
Base-Backbone interact. energy: 0.246
local terms energy: -326.738897
where:
bonds (distance) C4'-P energy: -77.739
bonds (distance) P-C4' energy: -86.957
flat angles C4'-P-C4' energy: -86.496
flat angles P-C4'-P energy: -35.343
tors. eta vs tors. theta energy: -40.204
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: 10, replica: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -489.242836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.242836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.242836 (E_RNA)
where:
Base-Base interactions energy: -201.096
where: short stacking energy: -124.307
Base-Backbone interact. energy: 0.601
local terms energy: -288.747686
where:
bonds (distance) C4'-P energy: -94.093
bonds (distance) P-C4' energy: -91.564
flat angles C4'-P-C4' energy: -70.615
flat angles P-C4'-P energy: -41.296
tors. eta vs tors. theta energy: 8.820
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: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1924.736962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.736962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.736962 (E_RNA)
where:
Base-Base interactions energy: -1335.888
where: short stacking energy: -565.715
Base-Backbone interact. energy: -3.899
local terms energy: -584.949640
where:
bonds (distance) C4'-P energy: -105.537
bonds (distance) P-C4' energy: -100.706
flat angles C4'-P-C4' energy: -128.422
flat angles P-C4'-P energy: -75.774
tors. eta vs tors. theta energy: -174.511
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: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1866.952590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.952590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.952590 (E_RNA)
where:
Base-Base interactions energy: -1287.409
where: short stacking energy: -545.182
Base-Backbone interact. energy: -1.470
local terms energy: -578.074146
where:
bonds (distance) C4'-P energy: -105.896
bonds (distance) P-C4' energy: -107.467
flat angles C4'-P-C4' energy: -129.182
flat angles P-C4'-P energy: -81.123
tors. eta vs tors. theta energy: -154.407
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: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1790.631018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.631018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.631018 (E_RNA)
where:
Base-Base interactions energy: -1239.157
where: short stacking energy: -540.471
Base-Backbone interact. energy: -0.647
local terms energy: -550.827626
where:
bonds (distance) C4'-P energy: -98.630
bonds (distance) P-C4' energy: -103.728
flat angles C4'-P-C4' energy: -116.496
flat angles P-C4'-P energy: -80.613
tors. eta vs tors. theta energy: -151.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1700.138886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.138886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.138886 (E_RNA)
where:
Base-Base interactions energy: -1175.097
where: short stacking energy: -492.291
Base-Backbone interact. energy: -2.914
local terms energy: -522.127640
where:
bonds (distance) C4'-P energy: -89.625
bonds (distance) P-C4' energy: -91.318
flat angles C4'-P-C4' energy: -114.587
flat angles P-C4'-P energy: -78.884
tors. eta vs tors. theta energy: -147.714
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: 5, replica: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1604.543988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.543988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.543988 (E_RNA)
where:
Base-Base interactions energy: -1095.907
where: short stacking energy: -456.587
Base-Backbone interact. energy: -0.121
local terms energy: -508.516239
where:
bonds (distance) C4'-P energy: -105.090
bonds (distance) P-C4' energy: -97.344
flat angles C4'-P-C4' energy: -108.522
flat angles P-C4'-P energy: -69.486
tors. eta vs tors. theta energy: -128.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1442.693433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.693433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.693433 (E_RNA)
where:
Base-Base interactions energy: -963.968
where: short stacking energy: -398.229
Base-Backbone interact. energy: -0.532
local terms energy: -478.193919
where:
bonds (distance) C4'-P energy: -100.989
bonds (distance) P-C4' energy: -112.088
flat angles C4'-P-C4' energy: -111.348
flat angles P-C4'-P energy: -53.246
tors. eta vs tors. theta energy: -100.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1450.157563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.157563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.157563 (E_RNA)
where:
Base-Base interactions energy: -982.658
where: short stacking energy: -422.719
Base-Backbone interact. energy: -0.805
local terms energy: -466.694106
where:
bonds (distance) C4'-P energy: -87.922
bonds (distance) P-C4' energy: -83.915
flat angles C4'-P-C4' energy: -101.258
flat angles P-C4'-P energy: -77.586
tors. eta vs tors. theta energy: -116.014
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: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1241.866017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.866017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.866017 (E_RNA)
where:
Base-Base interactions energy: -825.878
where: short stacking energy: -342.061
Base-Backbone interact. energy: -3.137
local terms energy: -412.850728
where:
bonds (distance) C4'-P energy: -89.792
bonds (distance) P-C4' energy: -91.069
flat angles C4'-P-C4' energy: -82.493
flat angles P-C4'-P energy: -67.236
tors. eta vs tors. theta energy: -82.262
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: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -919.774109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.774109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.774109 (E_RNA)
where:
Base-Base interactions energy: -550.318
where: short stacking energy: -266.048
Base-Backbone interact. energy: -1.833
local terms energy: -367.623066
where:
bonds (distance) C4'-P energy: -75.924
bonds (distance) P-C4' energy: -96.764
flat angles C4'-P-C4' energy: -93.445
flat angles P-C4'-P energy: -58.162
tors. eta vs tors. theta energy: -43.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -414.475884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.475884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.475884 (E_RNA)
where:
Base-Base interactions energy: -131.105
where: short stacking energy: -116.218
Base-Backbone interact. energy: 2.748
local terms energy: -286.119839
where:
bonds (distance) C4'-P energy: -95.421
bonds (distance) P-C4' energy: -95.298
flat angles C4'-P-C4' energy: -66.163
flat angles P-C4'-P energy: -57.406
tors. eta vs tors. theta energy: 28.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1931.517525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.517525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.517525 (E_RNA)
where:
Base-Base interactions energy: -1325.623
where: short stacking energy: -577.880
Base-Backbone interact. energy: -6.197
local terms energy: -599.697212
where:
bonds (distance) C4'-P energy: -114.043
bonds (distance) P-C4' energy: -112.135
flat angles C4'-P-C4' energy: -123.114
flat angles P-C4'-P energy: -75.253
tors. eta vs tors. theta energy: -175.151
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: 2, replica: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1882.972890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.972890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.972890 (E_RNA)
where:
Base-Base interactions energy: -1291.650
where: short stacking energy: -568.199
Base-Backbone interact. energy: -2.331
local terms energy: -588.991314
where:
bonds (distance) C4'-P energy: -107.756
bonds (distance) P-C4' energy: -114.221
flat angles C4'-P-C4' energy: -123.586
flat angles P-C4'-P energy: -70.650
tors. eta vs tors. theta energy: -172.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1795.140736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.140736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.140736 (E_RNA)
where:
Base-Base interactions energy: -1222.324
where: short stacking energy: -522.983
Base-Backbone interact. energy: -1.710
local terms energy: -571.107501
where:
bonds (distance) C4'-P energy: -105.584
bonds (distance) P-C4' energy: -118.110
flat angles C4'-P-C4' energy: -120.841
flat angles P-C4'-P energy: -80.318
tors. eta vs tors. theta energy: -146.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1654.826866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.826866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.826866 (E_RNA)
where:
Base-Base interactions energy: -1133.532
where: short stacking energy: -478.663
Base-Backbone interact. energy: -0.681
local terms energy: -520.613538
where:
bonds (distance) C4'-P energy: -101.158
bonds (distance) P-C4' energy: -95.877
flat angles C4'-P-C4' energy: -107.003
flat angles P-C4'-P energy: -75.334
tors. eta vs tors. theta energy: -141.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1608.545176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.545176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.545176 (E_RNA)
where:
Base-Base interactions energy: -1111.239
where: short stacking energy: -465.647
Base-Backbone interact. energy: -0.628
local terms energy: -496.678436
where:
bonds (distance) C4'-P energy: -88.142
bonds (distance) P-C4' energy: -90.922
flat angles C4'-P-C4' energy: -119.624
flat angles P-C4'-P energy: -68.256
tors. eta vs tors. theta energy: -129.735
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: 296
Temperature: 1.150000
Total energy: -1429.427262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.427262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.427262 (E_RNA)
where:
Base-Base interactions energy: -946.946
where: short stacking energy: -404.981
Base-Backbone interact. energy: -1.231
local terms energy: -481.249701
where:
bonds (distance) C4'-P energy: -83.091
bonds (distance) P-C4' energy: -105.562
flat angles C4'-P-C4' energy: -112.903
flat angles P-C4'-P energy: -68.547
tors. eta vs tors. theta energy: -111.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1424.738134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.738134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.738134 (E_RNA)
where:
Base-Base interactions energy: -973.513
where: short stacking energy: -409.644
Base-Backbone interact. energy: -2.960
local terms energy: -448.265120
where:
bonds (distance) C4'-P energy: -82.324
bonds (distance) P-C4' energy: -105.998
flat angles C4'-P-C4' energy: -95.377
flat angles P-C4'-P energy: -65.263
tors. eta vs tors. theta energy: -99.304
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: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1257.470628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.470628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.470628 (E_RNA)
where:
Base-Base interactions energy: -826.911
where: short stacking energy: -355.689
Base-Backbone interact. energy: -0.961
local terms energy: -429.598111
where:
bonds (distance) C4'-P energy: -96.139
bonds (distance) P-C4' energy: -93.150
flat angles C4'-P-C4' energy: -97.506
flat angles P-C4'-P energy: -56.428
tors. eta vs tors. theta energy: -86.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -901.172557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.172557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.172557 (E_RNA)
where:
Base-Base interactions energy: -554.380
where: short stacking energy: -241.534
Base-Backbone interact. energy: -0.347
local terms energy: -346.445812
where:
bonds (distance) C4'-P energy: -87.449
bonds (distance) P-C4' energy: -104.790
flat angles C4'-P-C4' energy: -89.532
flat angles P-C4'-P energy: -44.182
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -423.203030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.203030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.203030 (E_RNA)
where:
Base-Base interactions energy: -155.339
where: short stacking energy: -135.113
Base-Backbone interact. energy: 6.740
local terms energy: -274.603659
where:
bonds (distance) C4'-P energy: -90.748
bonds (distance) P-C4' energy: -91.342
flat angles C4'-P-C4' energy: -60.159
flat angles P-C4'-P energy: -41.286
tors. eta vs tors. theta energy: 8.933
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: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1919.156355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.156355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.156355 (E_RNA)
where:
Base-Base interactions energy: -1341.155
where: short stacking energy: -587.143
Base-Backbone interact. energy: -3.330
local terms energy: -574.671553
where:
bonds (distance) C4'-P energy: -87.287
bonds (distance) P-C4' energy: -103.799
flat angles C4'-P-C4' energy: -131.438
flat angles P-C4'-P energy: -77.018
tors. eta vs tors. theta energy: -175.130
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: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1856.600522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.600522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.600522 (E_RNA)
where:
Base-Base interactions energy: -1272.940
where: short stacking energy: -565.142
Base-Backbone interact. energy: -3.389
local terms energy: -580.271924
where:
bonds (distance) C4'-P energy: -107.726
bonds (distance) P-C4' energy: -94.577
flat angles C4'-P-C4' energy: -122.921
flat angles P-C4'-P energy: -90.434
tors. eta vs tors. theta energy: -164.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1807.829861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.829861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.829861 (E_RNA)
where:
Base-Base interactions energy: -1245.804
where: short stacking energy: -531.820
Base-Backbone interact. energy: -1.810
local terms energy: -560.215658
where:
bonds (distance) C4'-P energy: -94.868
bonds (distance) P-C4' energy: -104.186
flat angles C4'-P-C4' energy: -121.060
flat angles P-C4'-P energy: -82.035
tors. eta vs tors. theta energy: -158.067
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: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1662.799018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.799018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.799018 (E_RNA)
where:
Base-Base interactions energy: -1134.292
where: short stacking energy: -490.989
Base-Backbone interact. energy: -0.461
local terms energy: -528.046177
where:
bonds (distance) C4'-P energy: -100.651
bonds (distance) P-C4' energy: -104.373
flat angles C4'-P-C4' energy: -109.776
flat angles P-C4'-P energy: -79.157
tors. eta vs tors. theta energy: -134.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1617.517159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.517159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.517159 (E_RNA)
where:
Base-Base interactions energy: -1114.958
where: short stacking energy: -479.640
Base-Backbone interact. energy: 0.955
local terms energy: -503.514171
where:
bonds (distance) C4'-P energy: -90.016
bonds (distance) P-C4' energy: -97.506
flat angles C4'-P-C4' energy: -115.658
flat angles P-C4'-P energy: -77.786
tors. eta vs tors. theta energy: -122.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1451.618420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.618420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.618420 (E_RNA)
where:
Base-Base interactions energy: -985.055
where: short stacking energy: -415.920
Base-Backbone interact. energy: 1.641
local terms energy: -468.204716
where:
bonds (distance) C4'-P energy: -84.806
bonds (distance) P-C4' energy: -93.540
flat angles C4'-P-C4' energy: -111.934
flat angles P-C4'-P energy: -73.062
tors. eta vs tors. theta energy: -104.863
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: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1388.020594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.020594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.020594 (E_RNA)
where:
Base-Base interactions energy: -930.523
where: short stacking energy: -399.041
Base-Backbone interact. energy: -1.226
local terms energy: -456.271435
where:
bonds (distance) C4'-P energy: -110.710
bonds (distance) P-C4' energy: -93.139
flat angles C4'-P-C4' energy: -93.221
flat angles P-C4'-P energy: -46.896
tors. eta vs tors. theta energy: -112.305
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: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1218.515204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.515204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.515204 (E_RNA)
where:
Base-Base interactions energy: -804.182
where: short stacking energy: -336.319
Base-Backbone interact. energy: -1.793
local terms energy: -412.539657
where:
bonds (distance) C4'-P energy: -80.477
bonds (distance) P-C4' energy: -87.825
flat angles C4'-P-C4' energy: -88.706
flat angles P-C4'-P energy: -70.778
tors. eta vs tors. theta energy: -84.754
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: 297
Temperature: 1.300000
Total energy: -952.641363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.641363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.641363 (E_RNA)
where:
Base-Base interactions energy: -589.344
where: short stacking energy: -286.670
Base-Backbone interact. energy: 4.898
local terms energy: -368.195197
where:
bonds (distance) C4'-P energy: -86.269
bonds (distance) P-C4' energy: -91.092
flat angles C4'-P-C4' energy: -87.799
flat angles P-C4'-P energy: -58.652
tors. eta vs tors. theta energy: -44.382
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: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -462.812822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.812822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.812822 (E_RNA)
where:
Base-Base interactions energy: -181.725
where: short stacking energy: -132.076
Base-Backbone interact. energy: -1.232
local terms energy: -279.855854
where:
bonds (distance) C4'-P energy: -83.858
bonds (distance) P-C4' energy: -73.806
flat angles C4'-P-C4' energy: -84.652
flat angles P-C4'-P energy: -41.212
tors. eta vs tors. theta energy: 3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1936.277666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.277666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.277666 (E_RNA)
where:
Base-Base interactions energy: -1342.841
where: short stacking energy: -576.877
Base-Backbone interact. energy: -0.824
local terms energy: -592.613263
where:
bonds (distance) C4'-P energy: -108.339
bonds (distance) P-C4' energy: -95.310
flat angles C4'-P-C4' energy: -125.264
flat angles P-C4'-P energy: -82.777
tors. eta vs tors. theta energy: -180.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1852.734645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.734645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.734645 (E_RNA)
where:
Base-Base interactions energy: -1285.857
where: short stacking energy: -528.450
Base-Backbone interact. energy: 0.872
local terms energy: -567.749058
where:
bonds (distance) C4'-P energy: -101.618
bonds (distance) P-C4' energy: -105.645
flat angles C4'-P-C4' energy: -118.304
flat angles P-C4'-P energy: -90.299
tors. eta vs tors. theta energy: -151.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1796.009213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.009213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.009213 (E_RNA)
where:
Base-Base interactions energy: -1243.036
where: short stacking energy: -535.239
Base-Backbone interact. energy: -1.559
local terms energy: -551.413299
where:
bonds (distance) C4'-P energy: -105.737
bonds (distance) P-C4' energy: -101.229
flat angles C4'-P-C4' energy: -113.830
flat angles P-C4'-P energy: -78.383
tors. eta vs tors. theta energy: -152.234
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: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1689.455090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.455090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.455090 (E_RNA)
where:
Base-Base interactions energy: -1144.053
where: short stacking energy: -510.158
Base-Backbone interact. energy: -0.859
local terms energy: -544.543629
where:
bonds (distance) C4'-P energy: -103.803
bonds (distance) P-C4' energy: -102.141
flat angles C4'-P-C4' energy: -124.204
flat angles P-C4'-P energy: -73.537
tors. eta vs tors. theta energy: -140.859
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: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1581.380422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.380422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.380422 (E_RNA)
where:
Base-Base interactions energy: -1106.281
where: short stacking energy: -472.672
Base-Backbone interact. energy: -2.528
local terms energy: -472.572314
where:
bonds (distance) C4'-P energy: -89.261
bonds (distance) P-C4' energy: -83.802
flat angles C4'-P-C4' energy: -106.083
flat angles P-C4'-P energy: -64.849
tors. eta vs tors. theta energy: -128.577
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: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1452.811481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.811481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.811481 (E_RNA)
where:
Base-Base interactions energy: -993.150
where: short stacking energy: -405.726
Base-Backbone interact. energy: 6.523
local terms energy: -466.184496
where:
bonds (distance) C4'-P energy: -100.715
bonds (distance) P-C4' energy: -102.642
flat angles C4'-P-C4' energy: -97.008
flat angles P-C4'-P energy: -66.427
tors. eta vs tors. theta energy: -99.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1395.574046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.574046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.574046 (E_RNA)
where:
Base-Base interactions energy: -965.135
where: short stacking energy: -420.604
Base-Backbone interact. energy: 0.163
local terms energy: -430.602360
where:
bonds (distance) C4'-P energy: -78.131
bonds (distance) P-C4' energy: -96.953
flat angles C4'-P-C4' energy: -95.777
flat angles P-C4'-P energy: -53.689
tors. eta vs tors. theta energy: -106.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1198.836926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.836926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.836926 (E_RNA)
where:
Base-Base interactions energy: -790.776
where: short stacking energy: -347.914
Base-Backbone interact. energy: -1.700
local terms energy: -406.361271
where:
bonds (distance) C4'-P energy: -76.878
bonds (distance) P-C4' energy: -86.113
flat angles C4'-P-C4' energy: -92.858
flat angles P-C4'-P energy: -57.980
tors. eta vs tors. theta energy: -92.533
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: 298
Temperature: 1.300000
Total energy: -904.457723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.457723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.457723 (E_RNA)
where:
Base-Base interactions energy: -548.745
where: short stacking energy: -250.296
Base-Backbone interact. energy: 0.777
local terms energy: -356.490101
where:
bonds (distance) C4'-P energy: -86.208
bonds (distance) P-C4' energy: -82.397
flat angles C4'-P-C4' energy: -95.747
flat angles P-C4'-P energy: -54.326
tors. eta vs tors. theta energy: -37.812
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: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -406.358582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.358582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.358582 (E_RNA)
where:
Base-Base interactions energy: -140.879
where: short stacking energy: -101.254
Base-Backbone interact. energy: 0.295
local terms energy: -265.774976
where:
bonds (distance) C4'-P energy: -86.117
bonds (distance) P-C4' energy: -79.560
flat angles C4'-P-C4' energy: -81.386
flat angles P-C4'-P energy: -50.055
tors. eta vs tors. theta energy: 31.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1945.956398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.956398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.956398 (E_RNA)
where:
Base-Base interactions energy: -1326.486
where: short stacking energy: -573.294
Base-Backbone interact. energy: 1.570
local terms energy: -621.039993
where:
bonds (distance) C4'-P energy: -117.107
bonds (distance) P-C4' energy: -103.348
flat angles C4'-P-C4' energy: -128.853
flat angles P-C4'-P energy: -96.146
tors. eta vs tors. theta energy: -175.585
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: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1892.328491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.328491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.328491 (E_RNA)
where:
Base-Base interactions energy: -1314.303
where: short stacking energy: -576.712
Base-Backbone interact. energy: -1.804
local terms energy: -576.221635
where:
bonds (distance) C4'-P energy: -98.825
bonds (distance) P-C4' energy: -115.993
flat angles C4'-P-C4' energy: -114.334
flat angles P-C4'-P energy: -88.051
tors. eta vs tors. theta energy: -159.019
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: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1792.959247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.959247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.959247 (E_RNA)
where:
Base-Base interactions energy: -1237.947
where: short stacking energy: -531.768
Base-Backbone interact. energy: -1.761
local terms energy: -553.251069
where:
bonds (distance) C4'-P energy: -98.417
bonds (distance) P-C4' energy: -92.560
flat angles C4'-P-C4' energy: -122.016
flat angles P-C4'-P energy: -89.364
tors. eta vs tors. theta energy: -150.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1688.672127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.672127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.672127 (E_RNA)
where:
Base-Base interactions energy: -1148.709
where: short stacking energy: -512.590
Base-Backbone interact. energy: -1.101
local terms energy: -538.861926
where:
bonds (distance) C4'-P energy: -95.588
bonds (distance) P-C4' energy: -100.830
flat angles C4'-P-C4' energy: -115.992
flat angles P-C4'-P energy: -78.511
tors. eta vs tors. theta energy: -147.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1630.589231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.589231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.589231 (E_RNA)
where:
Base-Base interactions energy: -1133.275
where: short stacking energy: -460.608
Base-Backbone interact. energy: 0.307
local terms energy: -497.620692
where:
bonds (distance) C4'-P energy: -93.611
bonds (distance) P-C4' energy: -94.959
flat angles C4'-P-C4' energy: -108.762
flat angles P-C4'-P energy: -69.227
tors. eta vs tors. theta energy: -131.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1425.337629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.337629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.337629 (E_RNA)
where:
Base-Base interactions energy: -965.392
where: short stacking energy: -400.255
Base-Backbone interact. energy: 1.951
local terms energy: -461.896258
where:
bonds (distance) C4'-P energy: -92.698
bonds (distance) P-C4' energy: -100.921
flat angles C4'-P-C4' energy: -108.321
flat angles P-C4'-P energy: -65.902
tors. eta vs tors. theta energy: -94.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1437.938768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.938768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.938768 (E_RNA)
where:
Base-Base interactions energy: -977.414
where: short stacking energy: -432.068
Base-Backbone interact. energy: 2.333
local terms energy: -462.857954
where:
bonds (distance) C4'-P energy: -88.728
bonds (distance) P-C4' energy: -86.372
flat angles C4'-P-C4' energy: -104.255
flat angles P-C4'-P energy: -63.075
tors. eta vs tors. theta energy: -120.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1244.703732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.703732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.703732 (E_RNA)
where:
Base-Base interactions energy: -833.378
where: short stacking energy: -365.944
Base-Backbone interact. energy: -3.800
local terms energy: -407.525909
where:
bonds (distance) C4'-P energy: -96.718
bonds (distance) P-C4' energy: -86.709
flat angles C4'-P-C4' energy: -84.978
flat angles P-C4'-P energy: -50.122
tors. eta vs tors. theta energy: -88.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -896.176330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.176330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.176330 (E_RNA)
where:
Base-Base interactions energy: -539.186
where: short stacking energy: -254.445
Base-Backbone interact. energy: -1.538
local terms energy: -355.451445
where:
bonds (distance) C4'-P energy: -80.705
bonds (distance) P-C4' energy: -96.811
flat angles C4'-P-C4' energy: -102.307
flat angles P-C4'-P energy: -42.701
tors. eta vs tors. theta energy: -32.928
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: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -453.243573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.243573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.243573 (E_RNA)
where:
Base-Base interactions energy: -175.484
where: short stacking energy: -165.626
Base-Backbone interact. energy: 7.684
local terms energy: -285.443131
where:
bonds (distance) C4'-P energy: -83.119
bonds (distance) P-C4' energy: -105.154
flat angles C4'-P-C4' energy: -57.829
flat angles P-C4'-P energy: -41.533
tors. eta vs tors. theta energy: 2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1937.055708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.055708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.055708 (E_RNA)
where:
Base-Base interactions energy: -1338.234
where: short stacking energy: -585.690
Base-Backbone interact. energy: -1.662
local terms energy: -597.158874
where:
bonds (distance) C4'-P energy: -101.773
bonds (distance) P-C4' energy: -112.082
flat angles C4'-P-C4' energy: -115.794
flat angles P-C4'-P energy: -86.059
tors. eta vs tors. theta energy: -181.450
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: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1875.267800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.267800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.267800 (E_RNA)
where:
Base-Base interactions energy: -1302.678
where: short stacking energy: -547.738
Base-Backbone interact. energy: -1.527
local terms energy: -571.063259
where:
bonds (distance) C4'-P energy: -104.315
bonds (distance) P-C4' energy: -106.449
flat angles C4'-P-C4' energy: -120.666
flat angles P-C4'-P energy: -78.084
tors. eta vs tors. theta energy: -161.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1797.900278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.900278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.900278 (E_RNA)
where:
Base-Base interactions energy: -1260.975
where: short stacking energy: -529.984
Base-Backbone interact. energy: -3.089
local terms energy: -533.836387
where:
bonds (distance) C4'-P energy: -91.602
bonds (distance) P-C4' energy: -95.958
flat angles C4'-P-C4' energy: -116.563
flat angles P-C4'-P energy: -80.218
tors. eta vs tors. theta energy: -149.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1674.175093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.175093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.175093 (E_RNA)
where:
Base-Base interactions energy: -1132.053
where: short stacking energy: -507.338
Base-Backbone interact. energy: 4.183
local terms energy: -546.304842
where:
bonds (distance) C4'-P energy: -97.582
bonds (distance) P-C4' energy: -98.248
flat angles C4'-P-C4' energy: -117.735
flat angles P-C4'-P energy: -85.289
tors. eta vs tors. theta energy: -147.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1606.397179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.397179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.397179 (E_RNA)
where:
Base-Base interactions energy: -1102.911
where: short stacking energy: -466.726
Base-Backbone interact. energy: 3.570
local terms energy: -507.055828
where:
bonds (distance) C4'-P energy: -93.428
bonds (distance) P-C4' energy: -104.287
flat angles C4'-P-C4' energy: -107.134
flat angles P-C4'-P energy: -70.136
tors. eta vs tors. theta energy: -132.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1468.968588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.968588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.968588 (E_RNA)
where:
Base-Base interactions energy: -995.277
where: short stacking energy: -434.853
Base-Backbone interact. energy: -2.373
local terms energy: -471.318371
where:
bonds (distance) C4'-P energy: -97.299
bonds (distance) P-C4' energy: -101.918
flat angles C4'-P-C4' energy: -100.513
flat angles P-C4'-P energy: -72.560
tors. eta vs tors. theta energy: -99.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1359.486202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.486202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.486202 (E_RNA)
where:
Base-Base interactions energy: -929.233
where: short stacking energy: -384.159
Base-Backbone interact. energy: 0.099
local terms energy: -430.352895
where:
bonds (distance) C4'-P energy: -80.112
bonds (distance) P-C4' energy: -95.883
flat angles C4'-P-C4' energy: -116.056
flat angles P-C4'-P energy: -48.052
tors. eta vs tors. theta energy: -90.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1222.759794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.759794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.759794 (E_RNA)
where:
Base-Base interactions energy: -801.010
where: short stacking energy: -349.771
Base-Backbone interact. energy: -2.911
local terms energy: -418.838223
where:
bonds (distance) C4'-P energy: -106.256
bonds (distance) P-C4' energy: -102.070
flat angles C4'-P-C4' energy: -86.684
flat angles P-C4'-P energy: -54.301
tors. eta vs tors. theta energy: -69.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -840.038778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.038778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.038778 (E_RNA)
where:
Base-Base interactions energy: -465.772
where: short stacking energy: -232.561
Base-Backbone interact. energy: -1.162
local terms energy: -373.105228
where:
bonds (distance) C4'-P energy: -96.351
bonds (distance) P-C4' energy: -91.152
flat angles C4'-P-C4' energy: -87.299
flat angles P-C4'-P energy: -70.741
tors. eta vs tors. theta energy: -27.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -413.627818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.627818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.627818 (E_RNA)
where:
Base-Base interactions energy: -145.052
where: short stacking energy: -118.722
Base-Backbone interact. energy: 5.279
local terms energy: -273.855234
where:
bonds (distance) C4'-P energy: -95.869
bonds (distance) P-C4' energy: -97.995
flat angles C4'-P-C4' energy: -52.125
flat angles P-C4'-P energy: -48.048
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: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1891.024918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.024918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.024918 (E_RNA)
where:
Base-Base interactions energy: -1299.201
where: short stacking energy: -549.034
Base-Backbone interact. energy: -0.899
local terms energy: -590.925601
where:
bonds (distance) C4'-P energy: -100.072
bonds (distance) P-C4' energy: -116.620
flat angles C4'-P-C4' energy: -116.589
flat angles P-C4'-P energy: -82.282
tors. eta vs tors. theta energy: -175.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1886.342510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.342510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.342510 (E_RNA)
where:
Base-Base interactions energy: -1292.302
where: short stacking energy: -547.427
Base-Backbone interact. energy: -4.607
local terms energy: -589.433567
where:
bonds (distance) C4'-P energy: -105.730
bonds (distance) P-C4' energy: -115.028
flat angles C4'-P-C4' energy: -122.429
flat angles P-C4'-P energy: -87.053
tors. eta vs tors. theta energy: -159.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1808.733443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.733443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.733443 (E_RNA)
where:
Base-Base interactions energy: -1263.465
where: short stacking energy: -524.269
Base-Backbone interact. energy: -3.620
local terms energy: -541.648164
where:
bonds (distance) C4'-P energy: -97.794
bonds (distance) P-C4' energy: -98.792
flat angles C4'-P-C4' energy: -115.908
flat angles P-C4'-P energy: -80.092
tors. eta vs tors. theta energy: -149.063
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: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1695.690021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.690021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.690021 (E_RNA)
where:
Base-Base interactions energy: -1161.592
where: short stacking energy: -508.132
Base-Backbone interact. energy: -2.371
local terms energy: -531.727107
where:
bonds (distance) C4'-P energy: -102.389
bonds (distance) P-C4' energy: -101.746
flat angles C4'-P-C4' energy: -105.435
flat angles P-C4'-P energy: -72.784
tors. eta vs tors. theta energy: -149.374
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: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1583.184534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.184534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.184534 (E_RNA)
where:
Base-Base interactions energy: -1069.120
where: short stacking energy: -445.558
Base-Backbone interact. energy: -2.300
local terms energy: -511.764705
where:
bonds (distance) C4'-P energy: -106.600
bonds (distance) P-C4' energy: -101.385
flat angles C4'-P-C4' energy: -108.211
flat angles P-C4'-P energy: -66.543
tors. eta vs tors. theta energy: -129.026
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: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1462.405674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.405674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.405674 (E_RNA)
where:
Base-Base interactions energy: -972.483
where: short stacking energy: -415.288
Base-Backbone interact. energy: -0.850
local terms energy: -489.072056
where:
bonds (distance) C4'-P energy: -89.749
bonds (distance) P-C4' energy: -105.640
flat angles C4'-P-C4' energy: -107.221
flat angles P-C4'-P energy: -71.447
tors. eta vs tors. theta energy: -115.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1388.321970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.321970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.321970 (E_RNA)
where:
Base-Base interactions energy: -947.726
where: short stacking energy: -403.837
Base-Backbone interact. energy: -2.410
local terms energy: -438.185356
where:
bonds (distance) C4'-P energy: -77.595
bonds (distance) P-C4' energy: -87.005
flat angles C4'-P-C4' energy: -99.175
flat angles P-C4'-P energy: -77.639
tors. eta vs tors. theta energy: -96.771
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: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1215.802143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.802143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.802143 (E_RNA)
where:
Base-Base interactions energy: -799.273
where: short stacking energy: -354.586
Base-Backbone interact. energy: 0.983
local terms energy: -417.512322
where:
bonds (distance) C4'-P energy: -74.294
bonds (distance) P-C4' energy: -88.041
flat angles C4'-P-C4' energy: -98.122
flat angles P-C4'-P energy: -66.768
tors. eta vs tors. theta energy: -90.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -880.477381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.477381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.477381 (E_RNA)
where:
Base-Base interactions energy: -548.057
where: short stacking energy: -255.593
Base-Backbone interact. energy: -2.083
local terms energy: -330.337240
where:
bonds (distance) C4'-P energy: -79.920
bonds (distance) P-C4' energy: -86.639
flat angles C4'-P-C4' energy: -86.980
flat angles P-C4'-P energy: -45.521
tors. eta vs tors. theta energy: -31.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -428.840379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.840379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.840379 (E_RNA)
where:
Base-Base interactions energy: -155.939
where: short stacking energy: -132.540
Base-Backbone interact. energy: -1.653
local terms energy: -271.249037
where:
bonds (distance) C4'-P energy: -84.460
bonds (distance) P-C4' energy: -77.369
flat angles C4'-P-C4' energy: -75.690
flat angles P-C4'-P energy: -55.378
tors. eta vs tors. theta energy: 21.647
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: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1951.516770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.516770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.516770 (E_RNA)
where:
Base-Base interactions energy: -1350.134
where: short stacking energy: -573.164
Base-Backbone interact. energy: -3.123
local terms energy: -598.259232
where:
bonds (distance) C4'-P energy: -110.499
bonds (distance) P-C4' energy: -109.656
flat angles C4'-P-C4' energy: -122.858
flat angles P-C4'-P energy: -89.352
tors. eta vs tors. theta energy: -165.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1854.486534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.486534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.486534 (E_RNA)
where:
Base-Base interactions energy: -1279.060
where: short stacking energy: -560.674
Base-Backbone interact. energy: -3.335
local terms energy: -572.091731
where:
bonds (distance) C4'-P energy: -97.492
bonds (distance) P-C4' energy: -100.285
flat angles C4'-P-C4' energy: -124.620
flat angles P-C4'-P energy: -82.376
tors. eta vs tors. theta energy: -167.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1824.330456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.330456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.330456 (E_RNA)
where:
Base-Base interactions energy: -1269.183
where: short stacking energy: -529.818
Base-Backbone interact. energy: -1.536
local terms energy: -553.611690
where:
bonds (distance) C4'-P energy: -108.643
bonds (distance) P-C4' energy: -95.895
flat angles C4'-P-C4' energy: -121.803
flat angles P-C4'-P energy: -79.877
tors. eta vs tors. theta energy: -147.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1680.914355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.914355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.914355 (E_RNA)
where:
Base-Base interactions energy: -1143.634
where: short stacking energy: -485.202
Base-Backbone interact. energy: -3.235
local terms energy: -534.044937
where:
bonds (distance) C4'-P energy: -102.670
bonds (distance) P-C4' energy: -101.005
flat angles C4'-P-C4' energy: -111.204
flat angles P-C4'-P energy: -76.327
tors. eta vs tors. theta energy: -142.839
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: 5, replica: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1507.875123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.875123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.875123 (E_RNA)
where:
Base-Base interactions energy: -1014.549
where: short stacking energy: -442.320
Base-Backbone interact. energy: -1.192
local terms energy: -492.134227
where:
bonds (distance) C4'-P energy: -91.122
bonds (distance) P-C4' energy: -106.500
flat angles C4'-P-C4' energy: -98.952
flat angles P-C4'-P energy: -79.299
tors. eta vs tors. theta energy: -116.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1529.045468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.045468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.045468 (E_RNA)
where:
Base-Base interactions energy: -1058.861
where: short stacking energy: -433.265
Base-Backbone interact. energy: 5.550
local terms energy: -475.734582
where:
bonds (distance) C4'-P energy: -94.106
bonds (distance) P-C4' energy: -82.939
flat angles C4'-P-C4' energy: -113.986
flat angles P-C4'-P energy: -70.959
tors. eta vs tors. theta energy: -113.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1404.796532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.796532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.796532 (E_RNA)
where:
Base-Base interactions energy: -974.394
where: short stacking energy: -402.324
Base-Backbone interact. energy: 4.439
local terms energy: -434.841918
where:
bonds (distance) C4'-P energy: -90.166
bonds (distance) P-C4' energy: -96.582
flat angles C4'-P-C4' energy: -103.739
flat angles P-C4'-P energy: -37.804
tors. eta vs tors. theta energy: -106.551
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: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1193.824452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.824452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.824452 (E_RNA)
where:
Base-Base interactions energy: -770.392
where: short stacking energy: -321.968
Base-Backbone interact. energy: -2.495
local terms energy: -420.938253
where:
bonds (distance) C4'-P energy: -73.633
bonds (distance) P-C4' energy: -101.744
flat angles C4'-P-C4' energy: -100.712
flat angles P-C4'-P energy: -62.694
tors. eta vs tors. theta energy: -82.155
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: 302
Temperature: 1.300000
Total energy: -832.020706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.020706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.020706 (E_RNA)
where:
Base-Base interactions energy: -493.154
where: short stacking energy: -220.635
Base-Backbone interact. energy: 0.723
local terms energy: -339.589581
where:
bonds (distance) C4'-P energy: -93.451
bonds (distance) P-C4' energy: -105.470
flat angles C4'-P-C4' energy: -82.768
flat angles P-C4'-P energy: -44.772
tors. eta vs tors. theta energy: -13.128
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: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -439.417338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.417338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.417338 (E_RNA)
where:
Base-Base interactions energy: -144.286
where: short stacking energy: -129.489
Base-Backbone interact. energy: 0.870
local terms energy: -296.001657
where:
bonds (distance) C4'-P energy: -67.330
bonds (distance) P-C4' energy: -111.500
flat angles C4'-P-C4' energy: -78.128
flat angles P-C4'-P energy: -34.771
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1957.975002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.975002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.975002 (E_RNA)
where:
Base-Base interactions energy: -1366.691
where: short stacking energy: -562.338
Base-Backbone interact. energy: -1.338
local terms energy: -589.946413
where:
bonds (distance) C4'-P energy: -107.446
bonds (distance) P-C4' energy: -110.414
flat angles C4'-P-C4' energy: -112.597
flat angles P-C4'-P energy: -90.285
tors. eta vs tors. theta energy: -169.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1883.229626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.229626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.229626 (E_RNA)
where:
Base-Base interactions energy: -1309.646
where: short stacking energy: -561.132
Base-Backbone interact. energy: -3.321
local terms energy: -570.262198
where:
bonds (distance) C4'-P energy: -90.711
bonds (distance) P-C4' energy: -106.111
flat angles C4'-P-C4' energy: -119.405
flat angles P-C4'-P energy: -74.541
tors. eta vs tors. theta energy: -179.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1767.992553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.992553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.992553 (E_RNA)
where:
Base-Base interactions energy: -1205.004
where: short stacking energy: -513.968
Base-Backbone interact. energy: -2.541
local terms energy: -560.448024
where:
bonds (distance) C4'-P energy: -95.968
bonds (distance) P-C4' energy: -111.913
flat angles C4'-P-C4' energy: -123.151
flat angles P-C4'-P energy: -71.436
tors. eta vs tors. theta energy: -157.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1721.650382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.650382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.650382 (E_RNA)
where:
Base-Base interactions energy: -1189.057
where: short stacking energy: -505.045
Base-Backbone interact. energy: -1.352
local terms energy: -531.241276
where:
bonds (distance) C4'-P energy: -93.377
bonds (distance) P-C4' energy: -103.487
flat angles C4'-P-C4' energy: -118.833
flat angles P-C4'-P energy: -78.879
tors. eta vs tors. theta energy: -136.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1544.047066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.047066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.047066 (E_RNA)
where:
Base-Base interactions energy: -1059.168
where: short stacking energy: -454.888
Base-Backbone interact. energy: -0.935
local terms energy: -483.944385
where:
bonds (distance) C4'-P energy: -93.512
bonds (distance) P-C4' energy: -79.642
flat angles C4'-P-C4' energy: -99.464
flat angles P-C4'-P energy: -76.957
tors. eta vs tors. theta energy: -134.370
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: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1534.024905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.024905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.024905 (E_RNA)
where:
Base-Base interactions energy: -1053.204
where: short stacking energy: -447.935
Base-Backbone interact. energy: -2.176
local terms energy: -478.644418
where:
bonds (distance) C4'-P energy: -100.017
bonds (distance) P-C4' energy: -92.805
flat angles C4'-P-C4' energy: -95.991
flat angles P-C4'-P energy: -65.792
tors. eta vs tors. theta energy: -124.039
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: 303
Temperature: 1.200000
Total energy: -1434.736107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.736107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.736107 (E_RNA)
where:
Base-Base interactions energy: -948.903
where: short stacking energy: -406.288
Base-Backbone interact. energy: 2.014
local terms energy: -487.847015
where:
bonds (distance) C4'-P energy: -93.869
bonds (distance) P-C4' energy: -108.031
flat angles C4'-P-C4' energy: -106.375
flat angles P-C4'-P energy: -69.868
tors. eta vs tors. theta energy: -109.704
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: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1192.893425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.893425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.893425 (E_RNA)
where:
Base-Base interactions energy: -767.639
where: short stacking energy: -336.685
Base-Backbone interact. energy: 0.830
local terms energy: -426.085256
where:
bonds (distance) C4'-P energy: -75.226
bonds (distance) P-C4' energy: -92.875
flat angles C4'-P-C4' energy: -105.868
flat angles P-C4'-P energy: -69.402
tors. eta vs tors. theta energy: -82.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -817.207400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.207400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.207400 (E_RNA)
where:
Base-Base interactions energy: -450.445
where: short stacking energy: -229.259
Base-Backbone interact. energy: 1.840
local terms energy: -368.603186
where:
bonds (distance) C4'-P energy: -86.523
bonds (distance) P-C4' energy: -104.488
flat angles C4'-P-C4' energy: -72.198
flat angles P-C4'-P energy: -65.379
tors. eta vs tors. theta energy: -40.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -419.371362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.371362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.371362 (E_RNA)
where:
Base-Base interactions energy: -143.986
where: short stacking energy: -118.002
Base-Backbone interact. energy: -2.940
local terms energy: -272.445553
where:
bonds (distance) C4'-P energy: -75.795
bonds (distance) P-C4' energy: -75.696
flat angles C4'-P-C4' energy: -80.325
flat angles P-C4'-P energy: -48.052
tors. eta vs tors. theta energy: 7.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1944.670714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.670714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.670714 (E_RNA)
where:
Base-Base interactions energy: -1337.208
where: short stacking energy: -561.938
Base-Backbone interact. energy: -3.533
local terms energy: -603.930221
where:
bonds (distance) C4'-P energy: -121.622
bonds (distance) P-C4' energy: -109.176
flat angles C4'-P-C4' energy: -122.567
flat angles P-C4'-P energy: -82.170
tors. eta vs tors. theta energy: -168.396
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: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1857.213985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.213985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.213985 (E_RNA)
where:
Base-Base interactions energy: -1276.561
where: short stacking energy: -551.585
Base-Backbone interact. energy: -2.098
local terms energy: -578.554906
where:
bonds (distance) C4'-P energy: -113.140
bonds (distance) P-C4' energy: -106.840
flat angles C4'-P-C4' energy: -114.069
flat angles P-C4'-P energy: -77.913
tors. eta vs tors. theta energy: -166.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1767.157019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.157019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.157019 (E_RNA)
where:
Base-Base interactions energy: -1209.029
where: short stacking energy: -529.988
Base-Backbone interact. energy: 0.204
local terms energy: -558.332184
where:
bonds (distance) C4'-P energy: -104.314
bonds (distance) P-C4' energy: -100.019
flat angles C4'-P-C4' energy: -120.312
flat angles P-C4'-P energy: -87.056
tors. eta vs tors. theta energy: -146.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1743.734895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.734895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.734895 (E_RNA)
where:
Base-Base interactions energy: -1199.798
where: short stacking energy: -533.465
Base-Backbone interact. energy: 4.782
local terms energy: -548.719012
where:
bonds (distance) C4'-P energy: -93.955
bonds (distance) P-C4' energy: -103.958
flat angles C4'-P-C4' energy: -119.414
flat angles P-C4'-P energy: -79.720
tors. eta vs tors. theta energy: -151.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1497.126612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.126612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.126612 (E_RNA)
where:
Base-Base interactions energy: -1010.738
where: short stacking energy: -420.415
Base-Backbone interact. energy: -1.006
local terms energy: -485.383169
where:
bonds (distance) C4'-P energy: -99.125
bonds (distance) P-C4' energy: -92.571
flat angles C4'-P-C4' energy: -106.906
flat angles P-C4'-P energy: -74.543
tors. eta vs tors. theta energy: -112.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1553.242351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.242351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.242351 (E_RNA)
where:
Base-Base interactions energy: -1067.875
where: short stacking energy: -453.439
Base-Backbone interact. energy: -0.706
local terms energy: -484.661586
where:
bonds (distance) C4'-P energy: -88.222
bonds (distance) P-C4' energy: -101.736
flat angles C4'-P-C4' energy: -119.438
flat angles P-C4'-P energy: -60.949
tors. eta vs tors. theta energy: -114.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1393.519229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.519229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.519229 (E_RNA)
where:
Base-Base interactions energy: -960.284
where: short stacking energy: -391.249
Base-Backbone interact. energy: -0.806
local terms energy: -432.429002
where:
bonds (distance) C4'-P energy: -78.607
bonds (distance) P-C4' energy: -95.736
flat angles C4'-P-C4' energy: -103.240
flat angles P-C4'-P energy: -62.112
tors. eta vs tors. theta energy: -92.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1210.152017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.152017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.152017 (E_RNA)
where:
Base-Base interactions energy: -781.121
where: short stacking energy: -357.717
Base-Backbone interact. energy: -2.675
local terms energy: -426.355566
where:
bonds (distance) C4'-P energy: -77.490
bonds (distance) P-C4' energy: -96.596
flat angles C4'-P-C4' energy: -86.849
flat angles P-C4'-P energy: -69.559
tors. eta vs tors. theta energy: -95.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -833.588983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.588983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.588983 (E_RNA)
where:
Base-Base interactions energy: -479.811
where: short stacking energy: -225.622
Base-Backbone interact. energy: -2.266
local terms energy: -351.512486
where:
bonds (distance) C4'-P energy: -88.902
bonds (distance) P-C4' energy: -83.513
flat angles C4'-P-C4' energy: -94.185
flat angles P-C4'-P energy: -51.449
tors. eta vs tors. theta energy: -33.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -434.066298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.066298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.066298 (E_RNA)
where:
Base-Base interactions energy: -149.004
where: short stacking energy: -105.792
Base-Backbone interact. energy: -0.978
local terms energy: -284.084406
where:
bonds (distance) C4'-P energy: -99.411
bonds (distance) P-C4' energy: -92.454
flat angles C4'-P-C4' energy: -55.548
flat angles P-C4'-P energy: -50.493
tors. eta vs tors. theta energy: 13.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1940.880499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.880499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.880499 (E_RNA)
where:
Base-Base interactions energy: -1345.615
where: short stacking energy: -577.384
Base-Backbone interact. energy: -2.035
local terms energy: -593.230799
where:
bonds (distance) C4'-P energy: -110.736
bonds (distance) P-C4' energy: -109.730
flat angles C4'-P-C4' energy: -116.568
flat angles P-C4'-P energy: -84.662
tors. eta vs tors. theta energy: -171.534
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: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1871.356569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.356569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.356569 (E_RNA)
where:
Base-Base interactions energy: -1292.804
where: short stacking energy: -560.754
Base-Backbone interact. energy: -2.267
local terms energy: -576.285580
where:
bonds (distance) C4'-P energy: -102.176
bonds (distance) P-C4' energy: -104.376
flat angles C4'-P-C4' energy: -120.369
flat angles P-C4'-P energy: -72.543
tors. eta vs tors. theta energy: -176.822
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: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1779.905754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.905754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.905754 (E_RNA)
where:
Base-Base interactions energy: -1234.177
where: short stacking energy: -526.744
Base-Backbone interact. energy: -1.834
local terms energy: -543.894811
where:
bonds (distance) C4'-P energy: -100.839
bonds (distance) P-C4' energy: -94.517
flat angles C4'-P-C4' energy: -129.221
flat angles P-C4'-P energy: -57.395
tors. eta vs tors. theta energy: -161.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1659.154203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.154203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.154203 (E_RNA)
where:
Base-Base interactions energy: -1120.393
where: short stacking energy: -495.213
Base-Backbone interact. energy: -3.885
local terms energy: -534.875459
where:
bonds (distance) C4'-P energy: -90.093
bonds (distance) P-C4' energy: -94.207
flat angles C4'-P-C4' energy: -122.189
flat angles P-C4'-P energy: -79.263
tors. eta vs tors. theta energy: -149.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1490.208895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.208895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.208895 (E_RNA)
where:
Base-Base interactions energy: -1001.133
where: short stacking energy: -421.015
Base-Backbone interact. energy: -0.676
local terms energy: -488.400718
where:
bonds (distance) C4'-P energy: -102.258
bonds (distance) P-C4' energy: -101.425
flat angles C4'-P-C4' energy: -116.467
flat angles P-C4'-P energy: -68.855
tors. eta vs tors. theta energy: -99.395
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: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1500.535973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.535973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.535973 (E_RNA)
where:
Base-Base interactions energy: -1021.605
where: short stacking energy: -439.765
Base-Backbone interact. energy: 1.983
local terms energy: -480.914144
where:
bonds (distance) C4'-P energy: -89.609
bonds (distance) P-C4' energy: -104.538
flat angles C4'-P-C4' energy: -111.460
flat angles P-C4'-P energy: -59.042
tors. eta vs tors. theta energy: -116.266
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: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1393.167267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.167267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.167267 (E_RNA)
where:
Base-Base interactions energy: -940.289
where: short stacking energy: -393.692
Base-Backbone interact. energy: -1.281
local terms energy: -451.597250
where:
bonds (distance) C4'-P energy: -99.000
bonds (distance) P-C4' energy: -104.127
flat angles C4'-P-C4' energy: -99.076
flat angles P-C4'-P energy: -45.813
tors. eta vs tors. theta energy: -103.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1204.543455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.543455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.543455 (E_RNA)
where:
Base-Base interactions energy: -784.163
where: short stacking energy: -348.705
Base-Backbone interact. energy: 1.037
local terms energy: -421.418163
where:
bonds (distance) C4'-P energy: -86.362
bonds (distance) P-C4' energy: -99.486
flat angles C4'-P-C4' energy: -89.170
flat angles P-C4'-P energy: -59.691
tors. eta vs tors. theta energy: -86.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -866.721460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.721460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.721460 (E_RNA)
where:
Base-Base interactions energy: -527.567
where: short stacking energy: -247.658
Base-Backbone interact. energy: 2.269
local terms energy: -341.424058
where:
bonds (distance) C4'-P energy: -100.769
bonds (distance) P-C4' energy: -73.922
flat angles C4'-P-C4' energy: -81.341
flat angles P-C4'-P energy: -56.739
tors. eta vs tors. theta energy: -28.653
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: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -433.011026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.011026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.011026 (E_RNA)
where:
Base-Base interactions energy: -146.715
where: short stacking energy: -118.492
Base-Backbone interact. energy: -2.610
local terms energy: -283.685186
where:
bonds (distance) C4'-P energy: -98.295
bonds (distance) P-C4' energy: -90.548
flat angles C4'-P-C4' energy: -81.340
flat angles P-C4'-P energy: -40.909
tors. eta vs tors. theta energy: 27.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1970.709052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.709052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.709052 (E_RNA)
where:
Base-Base interactions energy: -1359.932
where: short stacking energy: -581.912
Base-Backbone interact. energy: -3.192
local terms energy: -607.585196
where:
bonds (distance) C4'-P energy: -114.901
bonds (distance) P-C4' energy: -106.363
flat angles C4'-P-C4' energy: -116.514
flat angles P-C4'-P energy: -97.538
tors. eta vs tors. theta energy: -172.268
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: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1872.689552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.689552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.689552 (E_RNA)
where:
Base-Base interactions energy: -1284.473
where: short stacking energy: -579.924
Base-Backbone interact. energy: -1.131
local terms energy: -587.085252
where:
bonds (distance) C4'-P energy: -100.111
bonds (distance) P-C4' energy: -105.701
flat angles C4'-P-C4' energy: -124.967
flat angles P-C4'-P energy: -77.396
tors. eta vs tors. theta energy: -178.909
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: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1780.914827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.914827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.914827 (E_RNA)
where:
Base-Base interactions energy: -1203.724
where: short stacking energy: -512.081
Base-Backbone interact. energy: -3.484
local terms energy: -573.707209
where:
bonds (distance) C4'-P energy: -107.990
bonds (distance) P-C4' energy: -113.728
flat angles C4'-P-C4' energy: -119.909
flat angles P-C4'-P energy: -76.909
tors. eta vs tors. theta energy: -155.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1666.595657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.595657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.595657 (E_RNA)
where:
Base-Base interactions energy: -1130.326
where: short stacking energy: -512.630
Base-Backbone interact. energy: 0.626
local terms energy: -536.896470
where:
bonds (distance) C4'-P energy: -87.351
bonds (distance) P-C4' energy: -102.320
flat angles C4'-P-C4' energy: -122.492
flat angles P-C4'-P energy: -73.790
tors. eta vs tors. theta energy: -150.944
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: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1558.520884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.520884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.520884 (E_RNA)
where:
Base-Base interactions energy: -1068.257
where: short stacking energy: -458.129
Base-Backbone interact. energy: 0.301
local terms energy: -490.565395
where:
bonds (distance) C4'-P energy: -85.190
bonds (distance) P-C4' energy: -104.572
flat angles C4'-P-C4' energy: -108.872
flat angles P-C4'-P energy: -78.629
tors. eta vs tors. theta energy: -113.302
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: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1409.496895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.496895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.496895 (E_RNA)
where:
Base-Base interactions energy: -951.953
where: short stacking energy: -410.199
Base-Backbone interact. energy: 2.387
local terms energy: -459.931207
where:
bonds (distance) C4'-P energy: -93.343
bonds (distance) P-C4' energy: -94.449
flat angles C4'-P-C4' energy: -93.534
flat angles P-C4'-P energy: -73.143
tors. eta vs tors. theta energy: -105.462
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: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1383.918942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.918942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.918942 (E_RNA)
where:
Base-Base interactions energy: -917.707
where: short stacking energy: -393.884
Base-Backbone interact. energy: -2.635
local terms energy: -463.577331
where:
bonds (distance) C4'-P energy: -78.868
bonds (distance) P-C4' energy: -87.988
flat angles C4'-P-C4' energy: -99.950
flat angles P-C4'-P energy: -75.080
tors. eta vs tors. theta energy: -121.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1255.418133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.418133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.418133 (E_RNA)
where:
Base-Base interactions energy: -853.721
where: short stacking energy: -375.754
Base-Backbone interact. energy: -2.593
local terms energy: -399.104946
where:
bonds (distance) C4'-P energy: -72.757
bonds (distance) P-C4' energy: -100.080
flat angles C4'-P-C4' energy: -87.798
flat angles P-C4'-P energy: -53.016
tors. eta vs tors. theta energy: -85.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -880.625606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.625606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.625606 (E_RNA)
where:
Base-Base interactions energy: -543.767
where: short stacking energy: -256.337
Base-Backbone interact. energy: -0.932
local terms energy: -335.927074
where:
bonds (distance) C4'-P energy: -80.489
bonds (distance) P-C4' energy: -90.264
flat angles C4'-P-C4' energy: -80.449
flat angles P-C4'-P energy: -50.340
tors. eta vs tors. theta energy: -34.385
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: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -464.065989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.065989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.065989 (E_RNA)
where:
Base-Base interactions energy: -202.309
where: short stacking energy: -127.688
Base-Backbone interact. energy: 2.345
local terms energy: -264.102649
where:
bonds (distance) C4'-P energy: -91.604
bonds (distance) P-C4' energy: -98.071
flat angles C4'-P-C4' energy: -62.451
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: 23.928
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: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1933.466003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.466003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.466003 (E_RNA)
where:
Base-Base interactions energy: -1356.649
where: short stacking energy: -558.903
Base-Backbone interact. energy: -2.795
local terms energy: -574.022797
where:
bonds (distance) C4'-P energy: -102.570
bonds (distance) P-C4' energy: -89.741
flat angles C4'-P-C4' energy: -128.284
flat angles P-C4'-P energy: -95.854
tors. eta vs tors. theta energy: -157.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1894.246351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.246351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.246351 (E_RNA)
where:
Base-Base interactions energy: -1307.295
where: short stacking energy: -573.429
Base-Backbone interact. energy: -2.688
local terms energy: -584.262651
where:
bonds (distance) C4'-P energy: -103.202
bonds (distance) P-C4' energy: -98.801
flat angles C4'-P-C4' energy: -128.296
flat angles P-C4'-P energy: -75.524
tors. eta vs tors. theta energy: -178.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1774.838113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.838113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.838113 (E_RNA)
where:
Base-Base interactions energy: -1215.988
where: short stacking energy: -524.988
Base-Backbone interact. energy: 1.187
local terms energy: -560.037241
where:
bonds (distance) C4'-P energy: -102.970
bonds (distance) P-C4' energy: -108.366
flat angles C4'-P-C4' energy: -120.722
flat angles P-C4'-P energy: -79.082
tors. eta vs tors. theta energy: -148.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1664.927588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.927588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.927588 (E_RNA)
where:
Base-Base interactions energy: -1125.576
where: short stacking energy: -504.662
Base-Backbone interact. energy: 0.436
local terms energy: -539.787984
where:
bonds (distance) C4'-P energy: -104.389
bonds (distance) P-C4' energy: -109.309
flat angles C4'-P-C4' energy: -109.806
flat angles P-C4'-P energy: -72.583
tors. eta vs tors. theta energy: -143.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1594.586551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.586551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.586551 (E_RNA)
where:
Base-Base interactions energy: -1079.505
where: short stacking energy: -443.248
Base-Backbone interact. energy: -0.934
local terms energy: -514.147507
where:
bonds (distance) C4'-P energy: -100.133
bonds (distance) P-C4' energy: -97.252
flat angles C4'-P-C4' energy: -115.418
flat angles P-C4'-P energy: -75.145
tors. eta vs tors. theta energy: -126.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1436.514434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.514434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.514434 (E_RNA)
where:
Base-Base interactions energy: -960.549
where: short stacking energy: -406.495
Base-Backbone interact. energy: 1.667
local terms energy: -477.631807
where:
bonds (distance) C4'-P energy: -92.507
bonds (distance) P-C4' energy: -97.578
flat angles C4'-P-C4' energy: -110.402
flat angles P-C4'-P energy: -73.666
tors. eta vs tors. theta energy: -103.479
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: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1385.059515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.059515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.059515 (E_RNA)
where:
Base-Base interactions energy: -932.317
where: short stacking energy: -408.249
Base-Backbone interact. energy: -0.509
local terms energy: -452.233599
where:
bonds (distance) C4'-P energy: -79.216
bonds (distance) P-C4' energy: -95.023
flat angles C4'-P-C4' energy: -104.918
flat angles P-C4'-P energy: -72.708
tors. eta vs tors. theta energy: -100.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1213.984935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.984935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.984935 (E_RNA)
where:
Base-Base interactions energy: -810.246
where: short stacking energy: -339.359
Base-Backbone interact. energy: 3.052
local terms energy: -406.791260
where:
bonds (distance) C4'-P energy: -87.537
bonds (distance) P-C4' energy: -79.321
flat angles C4'-P-C4' energy: -106.597
flat angles P-C4'-P energy: -56.283
tors. eta vs tors. theta energy: -77.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -941.402785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.402785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.402785 (E_RNA)
where:
Base-Base interactions energy: -562.449
where: short stacking energy: -246.416
Base-Backbone interact. energy: -1.203
local terms energy: -377.751425
where:
bonds (distance) C4'-P energy: -104.249
bonds (distance) P-C4' energy: -89.131
flat angles C4'-P-C4' energy: -92.551
flat angles P-C4'-P energy: -51.243
tors. eta vs tors. theta energy: -40.579
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: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -423.982010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.982010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.982010 (E_RNA)
where:
Base-Base interactions energy: -155.342
where: short stacking energy: -110.780
Base-Backbone interact. energy: -0.331
local terms energy: -268.309734
where:
bonds (distance) C4'-P energy: -83.885
bonds (distance) P-C4' energy: -91.195
flat angles C4'-P-C4' energy: -67.573
flat angles P-C4'-P energy: -53.713
tors. eta vs tors. theta energy: 28.056
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: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1898.305621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.305621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.305621 (E_RNA)
where:
Base-Base interactions energy: -1286.721
where: short stacking energy: -574.451
Base-Backbone interact. energy: -1.990
local terms energy: -609.594419
where:
bonds (distance) C4'-P energy: -102.855
bonds (distance) P-C4' energy: -111.547
flat angles C4'-P-C4' energy: -127.613
flat angles P-C4'-P energy: -88.781
tors. eta vs tors. theta energy: -178.799
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: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1924.772141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.772141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.772141 (E_RNA)
where:
Base-Base interactions energy: -1334.435
where: short stacking energy: -572.811
Base-Backbone interact. energy: 1.109
local terms energy: -591.445629
where:
bonds (distance) C4'-P energy: -111.046
bonds (distance) P-C4' energy: -115.974
flat angles C4'-P-C4' energy: -120.260
flat angles P-C4'-P energy: -80.177
tors. eta vs tors. theta energy: -163.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1764.843244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.843244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.843244 (E_RNA)
where:
Base-Base interactions energy: -1216.389
where: short stacking energy: -508.765
Base-Backbone interact. energy: -1.097
local terms energy: -547.356727
where:
bonds (distance) C4'-P energy: -100.506
bonds (distance) P-C4' energy: -106.434
flat angles C4'-P-C4' energy: -120.056
flat angles P-C4'-P energy: -78.265
tors. eta vs tors. theta energy: -142.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1670.613259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.613259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.613259 (E_RNA)
where:
Base-Base interactions energy: -1118.860
where: short stacking energy: -471.779
Base-Backbone interact. energy: -2.360
local terms energy: -549.393811
where:
bonds (distance) C4'-P energy: -103.088
bonds (distance) P-C4' energy: -102.346
flat angles C4'-P-C4' energy: -106.018
flat angles P-C4'-P energy: -91.830
tors. eta vs tors. theta energy: -146.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1574.000084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.000084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.000084 (E_RNA)
where:
Base-Base interactions energy: -1089.042
where: short stacking energy: -443.725
Base-Backbone interact. energy: 0.291
local terms energy: -485.249540
where:
bonds (distance) C4'-P energy: -98.290
bonds (distance) P-C4' energy: -96.591
flat angles C4'-P-C4' energy: -111.336
flat angles P-C4'-P energy: -62.474
tors. eta vs tors. theta energy: -116.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1411.585369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.585369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.585369 (E_RNA)
where:
Base-Base interactions energy: -943.214
where: short stacking energy: -397.286
Base-Backbone interact. energy: -1.819
local terms energy: -466.552092
where:
bonds (distance) C4'-P energy: -92.310
bonds (distance) P-C4' energy: -99.017
flat angles C4'-P-C4' energy: -112.275
flat angles P-C4'-P energy: -57.697
tors. eta vs tors. theta energy: -105.252
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: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1392.928103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.928103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.928103 (E_RNA)
where:
Base-Base interactions energy: -948.786
where: short stacking energy: -418.997
Base-Backbone interact. energy: -2.722
local terms energy: -441.419697
where:
bonds (distance) C4'-P energy: -84.349
bonds (distance) P-C4' energy: -81.083
flat angles C4'-P-C4' energy: -99.358
flat angles P-C4'-P energy: -64.222
tors. eta vs tors. theta energy: -112.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1244.208869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.208869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.208869 (E_RNA)
where:
Base-Base interactions energy: -807.861
where: short stacking energy: -346.658
Base-Backbone interact. energy: 0.635
local terms energy: -436.982824
where:
bonds (distance) C4'-P energy: -100.404
bonds (distance) P-C4' energy: -93.092
flat angles C4'-P-C4' energy: -97.675
flat angles P-C4'-P energy: -66.416
tors. eta vs tors. theta energy: -79.397
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: 308
Temperature: 1.300000
Total energy: -1023.257215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.257215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.257215 (E_RNA)
where:
Base-Base interactions energy: -654.839
where: short stacking energy: -288.467
Base-Backbone interact. energy: 1.175
local terms energy: -369.593255
where:
bonds (distance) C4'-P energy: -75.997
bonds (distance) P-C4' energy: -88.487
flat angles C4'-P-C4' energy: -95.649
flat angles P-C4'-P energy: -55.667
tors. eta vs tors. theta energy: -53.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -412.813681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.813681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.813681 (E_RNA)
where:
Base-Base interactions energy: -167.201
where: short stacking energy: -137.077
Base-Backbone interact. energy: 1.162
local terms energy: -246.775372
where:
bonds (distance) C4'-P energy: -83.294
bonds (distance) P-C4' energy: -95.667
flat angles C4'-P-C4' energy: -42.052
flat angles P-C4'-P energy: -52.915
tors. eta vs tors. theta energy: 27.153
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: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1917.840800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.840800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.840800 (E_RNA)
where:
Base-Base interactions energy: -1312.907
where: short stacking energy: -582.997
Base-Backbone interact. energy: 0.067
local terms energy: -605.001190
where:
bonds (distance) C4'-P energy: -106.204
bonds (distance) P-C4' energy: -109.684
flat angles C4'-P-C4' energy: -125.703
flat angles P-C4'-P energy: -87.117
tors. eta vs tors. theta energy: -176.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1904.317802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.317802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.317802 (E_RNA)
where:
Base-Base interactions energy: -1298.444
where: short stacking energy: -554.325
Base-Backbone interact. energy: 1.437
local terms energy: -607.310568
where:
bonds (distance) C4'-P energy: -108.331
bonds (distance) P-C4' energy: -110.527
flat angles C4'-P-C4' energy: -132.444
flat angles P-C4'-P energy: -84.892
tors. eta vs tors. theta energy: -171.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1784.682370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.682370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.682370 (E_RNA)
where:
Base-Base interactions energy: -1228.881
where: short stacking energy: -534.038
Base-Backbone interact. energy: -1.790
local terms energy: -554.011064
where:
bonds (distance) C4'-P energy: -108.706
bonds (distance) P-C4' energy: -91.400
flat angles C4'-P-C4' energy: -123.562
flat angles P-C4'-P energy: -77.726
tors. eta vs tors. theta energy: -152.617
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: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1681.785018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.785018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.785018 (E_RNA)
where:
Base-Base interactions energy: -1145.195
where: short stacking energy: -495.501
Base-Backbone interact. energy: 4.108
local terms energy: -540.697315
where:
bonds (distance) C4'-P energy: -106.869
bonds (distance) P-C4' energy: -107.320
flat angles C4'-P-C4' energy: -121.779
flat angles P-C4'-P energy: -63.707
tors. eta vs tors. theta energy: -141.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1595.488494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.488494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.488494 (E_RNA)
where:
Base-Base interactions energy: -1081.096
where: short stacking energy: -449.353
Base-Backbone interact. energy: 0.265
local terms energy: -514.657933
where:
bonds (distance) C4'-P energy: -98.604
bonds (distance) P-C4' energy: -110.467
flat angles C4'-P-C4' energy: -105.698
flat angles P-C4'-P energy: -75.867
tors. eta vs tors. theta energy: -124.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1414.267719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.267719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.267719 (E_RNA)
where:
Base-Base interactions energy: -975.586
where: short stacking energy: -403.955
Base-Backbone interact. energy: 2.518
local terms energy: -441.199269
where:
bonds (distance) C4'-P energy: -93.933
bonds (distance) P-C4' energy: -100.081
flat angles C4'-P-C4' energy: -104.680
flat angles P-C4'-P energy: -50.207
tors. eta vs tors. theta energy: -92.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1404.322284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.322284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.322284 (E_RNA)
where:
Base-Base interactions energy: -937.639
where: short stacking energy: -399.915
Base-Backbone interact. energy: 1.480
local terms energy: -468.163161
where:
bonds (distance) C4'-P energy: -91.601
bonds (distance) P-C4' energy: -97.610
flat angles C4'-P-C4' energy: -107.250
flat angles P-C4'-P energy: -68.342
tors. eta vs tors. theta energy: -103.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1241.895014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.895014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.895014 (E_RNA)
where:
Base-Base interactions energy: -817.989
where: short stacking energy: -357.136
Base-Backbone interact. energy: 3.182
local terms energy: -427.088511
where:
bonds (distance) C4'-P energy: -94.281
bonds (distance) P-C4' energy: -78.754
flat angles C4'-P-C4' energy: -106.901
flat angles P-C4'-P energy: -65.671
tors. eta vs tors. theta energy: -81.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -910.278872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.278872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.278872 (E_RNA)
where:
Base-Base interactions energy: -570.424
where: short stacking energy: -274.058
Base-Backbone interact. energy: 4.398
local terms energy: -344.253388
where:
bonds (distance) C4'-P energy: -86.137
bonds (distance) P-C4' energy: -93.842
flat angles C4'-P-C4' energy: -81.342
flat angles P-C4'-P energy: -50.333
tors. eta vs tors. theta energy: -32.600
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: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -475.931173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.931173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.931173 (E_RNA)
where:
Base-Base interactions energy: -190.471
where: short stacking energy: -133.026
Base-Backbone interact. energy: -3.080
local terms energy: -282.379327
where:
bonds (distance) C4'-P energy: -69.424
bonds (distance) P-C4' energy: -104.054
flat angles C4'-P-C4' energy: -81.899
flat angles P-C4'-P energy: -47.931
tors. eta vs tors. theta energy: 20.929
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: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1924.188335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.188335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.188335 (E_RNA)
where:
Base-Base interactions energy: -1357.595
where: short stacking energy: -554.523
Base-Backbone interact. energy: -3.803
local terms energy: -562.790045
where:
bonds (distance) C4'-P energy: -105.231
bonds (distance) P-C4' energy: -109.088
flat angles C4'-P-C4' energy: -108.875
flat angles P-C4'-P energy: -76.270
tors. eta vs tors. theta energy: -163.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1872.826016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.826016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.826016 (E_RNA)
where:
Base-Base interactions energy: -1284.506
where: short stacking energy: -563.021
Base-Backbone interact. energy: -1.647
local terms energy: -586.673500
where:
bonds (distance) C4'-P energy: -103.213
bonds (distance) P-C4' energy: -112.684
flat angles C4'-P-C4' energy: -118.664
flat angles P-C4'-P energy: -87.245
tors. eta vs tors. theta energy: -164.866
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: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1760.749004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.749004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.749004 (E_RNA)
where:
Base-Base interactions energy: -1209.450
where: short stacking energy: -504.516
Base-Backbone interact. energy: -2.198
local terms energy: -549.101445
where:
bonds (distance) C4'-P energy: -96.410
bonds (distance) P-C4' energy: -104.451
flat angles C4'-P-C4' energy: -115.367
flat angles P-C4'-P energy: -74.750
tors. eta vs tors. theta energy: -158.124
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: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1653.937351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.937351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.937351 (E_RNA)
where:
Base-Base interactions energy: -1107.624
where: short stacking energy: -469.731
Base-Backbone interact. energy: -2.411
local terms energy: -543.902621
where:
bonds (distance) C4'-P energy: -109.486
bonds (distance) P-C4' energy: -98.389
flat angles C4'-P-C4' energy: -113.093
flat angles P-C4'-P energy: -88.236
tors. eta vs tors. theta energy: -134.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1583.710797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.710797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.710797 (E_RNA)
where:
Base-Base interactions energy: -1076.702
where: short stacking energy: -450.745
Base-Backbone interact. energy: 0.697
local terms energy: -507.705276
where:
bonds (distance) C4'-P energy: -93.595
bonds (distance) P-C4' energy: -109.722
flat angles C4'-P-C4' energy: -103.384
flat angles P-C4'-P energy: -67.125
tors. eta vs tors. theta energy: -133.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1424.344427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.344427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.344427 (E_RNA)
where:
Base-Base interactions energy: -954.346
where: short stacking energy: -410.610
Base-Backbone interact. energy: -0.720
local terms energy: -469.278748
where:
bonds (distance) C4'-P energy: -101.886
bonds (distance) P-C4' energy: -96.901
flat angles C4'-P-C4' energy: -85.260
flat angles P-C4'-P energy: -74.837
tors. eta vs tors. theta energy: -110.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1409.250612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.250612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.250612 (E_RNA)
where:
Base-Base interactions energy: -932.716
where: short stacking energy: -409.199
Base-Backbone interact. energy: -0.746
local terms energy: -475.788023
where:
bonds (distance) C4'-P energy: -97.753
bonds (distance) P-C4' energy: -91.251
flat angles C4'-P-C4' energy: -96.840
flat angles P-C4'-P energy: -78.067
tors. eta vs tors. theta energy: -111.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1231.244369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.244369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.244369 (E_RNA)
where:
Base-Base interactions energy: -787.222
where: short stacking energy: -350.460
Base-Backbone interact. energy: -2.531
local terms energy: -441.492077
where:
bonds (distance) C4'-P energy: -84.604
bonds (distance) P-C4' energy: -103.709
flat angles C4'-P-C4' energy: -103.939
flat angles P-C4'-P energy: -56.124
tors. eta vs tors. theta energy: -93.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -918.923650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.923650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.923650 (E_RNA)
where:
Base-Base interactions energy: -542.901
where: short stacking energy: -246.868
Base-Backbone interact. energy: -0.409
local terms energy: -375.612893
where:
bonds (distance) C4'-P energy: -91.824
bonds (distance) P-C4' energy: -93.829
flat angles C4'-P-C4' energy: -86.226
flat angles P-C4'-P energy: -57.950
tors. eta vs tors. theta energy: -45.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -447.213767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.213767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.213767 (E_RNA)
where:
Base-Base interactions energy: -174.320
where: short stacking energy: -146.302
Base-Backbone interact. energy: 5.125
local terms energy: -278.018545
where:
bonds (distance) C4'-P energy: -72.733
bonds (distance) P-C4' energy: -77.460
flat angles C4'-P-C4' energy: -75.604
flat angles P-C4'-P energy: -65.286
tors. eta vs tors. theta energy: 13.064
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: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1953.409866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.409866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.409866 (E_RNA)
where:
Base-Base interactions energy: -1356.071
where: short stacking energy: -562.856
Base-Backbone interact. energy: -3.687
local terms energy: -593.652594
where:
bonds (distance) C4'-P energy: -107.721
bonds (distance) P-C4' energy: -117.636
flat angles C4'-P-C4' energy: -124.748
flat angles P-C4'-P energy: -82.832
tors. eta vs tors. theta energy: -160.716
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: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1842.528106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.528106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.528106 (E_RNA)
where:
Base-Base interactions energy: -1262.438
where: short stacking energy: -565.451
Base-Backbone interact. energy: 0.777
local terms energy: -580.867244
where:
bonds (distance) C4'-P energy: -95.191
bonds (distance) P-C4' energy: -101.192
flat angles C4'-P-C4' energy: -121.715
flat angles P-C4'-P energy: -81.959
tors. eta vs tors. theta energy: -180.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1765.139455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.139455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.139455 (E_RNA)
where:
Base-Base interactions energy: -1214.011
where: short stacking energy: -532.251
Base-Backbone interact. energy: -2.214
local terms energy: -548.914970
where:
bonds (distance) C4'-P energy: -107.633
bonds (distance) P-C4' energy: -104.586
flat angles C4'-P-C4' energy: -110.676
flat angles P-C4'-P energy: -77.709
tors. eta vs tors. theta energy: -148.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1663.272448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.272448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.272448 (E_RNA)
where:
Base-Base interactions energy: -1122.979
where: short stacking energy: -490.503
Base-Backbone interact. energy: -2.565
local terms energy: -537.728532
where:
bonds (distance) C4'-P energy: -97.208
bonds (distance) P-C4' energy: -105.148
flat angles C4'-P-C4' energy: -115.292
flat angles P-C4'-P energy: -73.243
tors. eta vs tors. theta energy: -146.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1546.315492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.315492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.315492 (E_RNA)
where:
Base-Base interactions energy: -1040.964
where: short stacking energy: -408.133
Base-Backbone interact. energy: -2.655
local terms energy: -502.696965
where:
bonds (distance) C4'-P energy: -86.649
bonds (distance) P-C4' energy: -96.517
flat angles C4'-P-C4' energy: -119.687
flat angles P-C4'-P energy: -69.302
tors. eta vs tors. theta energy: -130.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1485.735490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.735490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.735490 (E_RNA)
where:
Base-Base interactions energy: -974.900
where: short stacking energy: -425.427
Base-Backbone interact. energy: -0.927
local terms energy: -509.908552
where:
bonds (distance) C4'-P energy: -90.315
bonds (distance) P-C4' energy: -99.672
flat angles C4'-P-C4' energy: -117.830
flat angles P-C4'-P energy: -84.542
tors. eta vs tors. theta energy: -117.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1386.870728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.870728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.870728 (E_RNA)
where:
Base-Base interactions energy: -927.161
where: short stacking energy: -371.646
Base-Backbone interact. energy: -1.344
local terms energy: -458.365668
where:
bonds (distance) C4'-P energy: -91.585
bonds (distance) P-C4' energy: -99.361
flat angles C4'-P-C4' energy: -101.177
flat angles P-C4'-P energy: -77.095
tors. eta vs tors. theta energy: -89.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1313.679360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.679360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.679360 (E_RNA)
where:
Base-Base interactions energy: -881.594
where: short stacking energy: -380.178
Base-Backbone interact. energy: 2.813
local terms energy: -434.898291
where:
bonds (distance) C4'-P energy: -84.663
bonds (distance) P-C4' energy: -91.639
flat angles C4'-P-C4' energy: -109.793
flat angles P-C4'-P energy: -57.668
tors. eta vs tors. theta energy: -91.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -909.601283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.601283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.601283 (E_RNA)
where:
Base-Base interactions energy: -540.221
where: short stacking energy: -241.507
Base-Backbone interact. energy: 2.499
local terms energy: -371.880046
where:
bonds (distance) C4'-P energy: -94.587
bonds (distance) P-C4' energy: -101.515
flat angles C4'-P-C4' energy: -92.640
flat angles P-C4'-P energy: -43.092
tors. eta vs tors. theta energy: -40.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -426.043151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.043151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.043151 (E_RNA)
where:
Base-Base interactions energy: -161.137
where: short stacking energy: -150.787
Base-Backbone interact. energy: -2.142
local terms energy: -262.763686
where:
bonds (distance) C4'-P energy: -68.962
bonds (distance) P-C4' energy: -91.485
flat angles C4'-P-C4' energy: -76.721
flat angles P-C4'-P energy: -42.061
tors. eta vs tors. theta energy: 16.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1939.507361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.507361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.507361 (E_RNA)
where:
Base-Base interactions energy: -1355.962
where: short stacking energy: -550.288
Base-Backbone interact. energy: -0.633
local terms energy: -582.911584
where:
bonds (distance) C4'-P energy: -101.506
bonds (distance) P-C4' energy: -110.202
flat angles C4'-P-C4' energy: -118.063
flat angles P-C4'-P energy: -91.404
tors. eta vs tors. theta energy: -161.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1886.053224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.053224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.053224 (E_RNA)
where:
Base-Base interactions energy: -1291.385
where: short stacking energy: -550.921
Base-Backbone interact. energy: -1.578
local terms energy: -593.090364
where:
bonds (distance) C4'-P energy: -100.694
bonds (distance) P-C4' energy: -110.454
flat angles C4'-P-C4' energy: -120.647
flat angles P-C4'-P energy: -87.678
tors. eta vs tors. theta energy: -173.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1776.764532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.764532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.764532 (E_RNA)
where:
Base-Base interactions energy: -1208.797
where: short stacking energy: -504.404
Base-Backbone interact. energy: -2.868
local terms energy: -565.099639
where:
bonds (distance) C4'-P energy: -98.412
bonds (distance) P-C4' energy: -96.687
flat angles C4'-P-C4' energy: -125.186
flat angles P-C4'-P energy: -88.961
tors. eta vs tors. theta energy: -155.854
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: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1667.120419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.120419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.120419 (E_RNA)
where:
Base-Base interactions energy: -1134.531
where: short stacking energy: -486.079
Base-Backbone interact. energy: -0.360
local terms energy: -532.229318
where:
bonds (distance) C4'-P energy: -106.664
bonds (distance) P-C4' energy: -95.276
flat angles C4'-P-C4' energy: -121.975
flat angles P-C4'-P energy: -68.133
tors. eta vs tors. theta energy: -140.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1545.778740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.778740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.778740 (E_RNA)
where:
Base-Base interactions energy: -1052.218
where: short stacking energy: -466.591
Base-Backbone interact. energy: -4.704
local terms energy: -488.856339
where:
bonds (distance) C4'-P energy: -67.053
bonds (distance) P-C4' energy: -90.246
flat angles C4'-P-C4' energy: -121.366
flat angles P-C4'-P energy: -77.917
tors. eta vs tors. theta energy: -132.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1474.043135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.043135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.043135 (E_RNA)
where:
Base-Base interactions energy: -975.400
where: short stacking energy: -413.730
Base-Backbone interact. energy: -1.938
local terms energy: -496.705288
where:
bonds (distance) C4'-P energy: -88.461
bonds (distance) P-C4' energy: -116.864
flat angles C4'-P-C4' energy: -106.327
flat angles P-C4'-P energy: -66.840
tors. eta vs tors. theta energy: -118.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1417.040209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.040209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.040209 (E_RNA)
where:
Base-Base interactions energy: -944.476
where: short stacking energy: -405.725
Base-Backbone interact. energy: -1.953
local terms energy: -470.611197
where:
bonds (distance) C4'-P energy: -104.180
bonds (distance) P-C4' energy: -92.192
flat angles C4'-P-C4' energy: -99.970
flat angles P-C4'-P energy: -61.719
tors. eta vs tors. theta energy: -112.551
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: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1354.791957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.791957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.791957 (E_RNA)
where:
Base-Base interactions energy: -926.257
where: short stacking energy: -400.742
Base-Backbone interact. energy: -0.809
local terms energy: -427.725967
where:
bonds (distance) C4'-P energy: -83.012
bonds (distance) P-C4' energy: -93.408
flat angles C4'-P-C4' energy: -106.979
flat angles P-C4'-P energy: -54.829
tors. eta vs tors. theta energy: -89.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -942.241273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.241273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.241273 (E_RNA)
where:
Base-Base interactions energy: -576.125
where: short stacking energy: -264.145
Base-Backbone interact. energy: 0.665
local terms energy: -366.781362
where:
bonds (distance) C4'-P energy: -102.848
bonds (distance) P-C4' energy: -84.320
flat angles C4'-P-C4' energy: -90.836
flat angles P-C4'-P energy: -45.484
tors. eta vs tors. theta energy: -43.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -410.775434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.775434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.775434 (E_RNA)
where:
Base-Base interactions energy: -145.858
where: short stacking energy: -122.922
Base-Backbone interact. energy: 7.072
local terms energy: -271.988651
where:
bonds (distance) C4'-P energy: -97.877
bonds (distance) P-C4' energy: -82.175
flat angles C4'-P-C4' energy: -79.678
flat angles P-C4'-P energy: -44.161
tors. eta vs tors. theta energy: 31.901
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: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1951.118425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.118425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.118425 (E_RNA)
where:
Base-Base interactions energy: -1334.459
where: short stacking energy: -556.894
Base-Backbone interact. energy: -2.335
local terms energy: -614.324017
where:
bonds (distance) C4'-P energy: -113.620
bonds (distance) P-C4' energy: -108.782
flat angles C4'-P-C4' energy: -129.674
flat angles P-C4'-P energy: -93.171
tors. eta vs tors. theta energy: -169.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1904.152982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.152982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.152982 (E_RNA)
where:
Base-Base interactions energy: -1293.110
where: short stacking energy: -561.546
Base-Backbone interact. energy: 1.136
local terms energy: -612.178695
where:
bonds (distance) C4'-P energy: -113.502
bonds (distance) P-C4' energy: -101.668
flat angles C4'-P-C4' energy: -120.856
flat angles P-C4'-P energy: -91.639
tors. eta vs tors. theta energy: -184.514
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: 313
Temperature: 1.000000
Total energy: -1791.455793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.455793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.455793 (E_RNA)
where:
Base-Base interactions energy: -1234.005
where: short stacking energy: -519.171
Base-Backbone interact. energy: -2.677
local terms energy: -554.773972
where:
bonds (distance) C4'-P energy: -98.887
bonds (distance) P-C4' energy: -100.466
flat angles C4'-P-C4' energy: -108.717
flat angles P-C4'-P energy: -90.473
tors. eta vs tors. theta energy: -156.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1675.009808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.009808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.009808 (E_RNA)
where:
Base-Base interactions energy: -1142.674
where: short stacking energy: -515.812
Base-Backbone interact. energy: -4.180
local terms energy: -528.155118
where:
bonds (distance) C4'-P energy: -96.081
bonds (distance) P-C4' energy: -99.393
flat angles C4'-P-C4' energy: -112.572
flat angles P-C4'-P energy: -67.759
tors. eta vs tors. theta energy: -152.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1556.732552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.732552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.732552 (E_RNA)
where:
Base-Base interactions energy: -1049.449
where: short stacking energy: -461.185
Base-Backbone interact. energy: -1.180
local terms energy: -506.103294
where:
bonds (distance) C4'-P energy: -100.990
bonds (distance) P-C4' energy: -92.561
flat angles C4'-P-C4' energy: -113.767
flat angles P-C4'-P energy: -73.423
tors. eta vs tors. theta energy: -125.363
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: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1475.584619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.584619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.584619 (E_RNA)
where:
Base-Base interactions energy: -1004.983
where: short stacking energy: -409.727
Base-Backbone interact. energy: 1.210
local terms energy: -471.812016
where:
bonds (distance) C4'-P energy: -75.320
bonds (distance) P-C4' energy: -89.842
flat angles C4'-P-C4' energy: -116.489
flat angles P-C4'-P energy: -70.127
tors. eta vs tors. theta energy: -120.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1399.122779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.122779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.122779 (E_RNA)
where:
Base-Base interactions energy: -935.445
where: short stacking energy: -396.731
Base-Backbone interact. energy: -2.027
local terms energy: -461.650657
where:
bonds (distance) C4'-P energy: -96.408
bonds (distance) P-C4' energy: -86.789
flat angles C4'-P-C4' energy: -100.236
flat angles P-C4'-P energy: -61.026
tors. eta vs tors. theta energy: -117.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1345.217192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.217192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.217192 (E_RNA)
where:
Base-Base interactions energy: -915.259
where: short stacking energy: -385.622
Base-Backbone interact. energy: -1.050
local terms energy: -428.907952
where:
bonds (distance) C4'-P energy: -78.943
bonds (distance) P-C4' energy: -98.292
flat angles C4'-P-C4' energy: -88.968
flat angles P-C4'-P energy: -63.204
tors. eta vs tors. theta energy: -99.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -945.745379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.745379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.745379 (E_RNA)
where:
Base-Base interactions energy: -584.616
where: short stacking energy: -259.546
Base-Backbone interact. energy: -4.115
local terms energy: -357.014685
where:
bonds (distance) C4'-P energy: -79.589
bonds (distance) P-C4' energy: -91.679
flat angles C4'-P-C4' energy: -91.115
flat angles P-C4'-P energy: -47.534
tors. eta vs tors. theta energy: -47.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -466.675937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.675937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.675937 (E_RNA)
where:
Base-Base interactions energy: -198.130
where: short stacking energy: -148.508
Base-Backbone interact. energy: 0.523
local terms energy: -269.068178
where:
bonds (distance) C4'-P energy: -80.336
bonds (distance) P-C4' energy: -80.244
flat angles C4'-P-C4' energy: -73.058
flat angles P-C4'-P energy: -42.515
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: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1921.418822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.418822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.418822 (E_RNA)
where:
Base-Base interactions energy: -1315.230
where: short stacking energy: -588.431
Base-Backbone interact. energy: 1.271
local terms energy: -607.459452
where:
bonds (distance) C4'-P energy: -111.107
bonds (distance) P-C4' energy: -104.466
flat angles C4'-P-C4' energy: -131.046
flat angles P-C4'-P energy: -82.256
tors. eta vs tors. theta energy: -178.585
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: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1907.377002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.377002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.377002 (E_RNA)
where:
Base-Base interactions energy: -1326.380
where: short stacking energy: -560.457
Base-Backbone interact. energy: -1.748
local terms energy: -579.249582
where:
bonds (distance) C4'-P energy: -106.598
bonds (distance) P-C4' energy: -101.288
flat angles C4'-P-C4' energy: -124.975
flat angles P-C4'-P energy: -79.276
tors. eta vs tors. theta energy: -167.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1796.251753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.251753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.251753 (E_RNA)
where:
Base-Base interactions energy: -1250.652
where: short stacking energy: -517.523
Base-Backbone interact. energy: -1.697
local terms energy: -543.903270
where:
bonds (distance) C4'-P energy: -94.507
bonds (distance) P-C4' energy: -90.260
flat angles C4'-P-C4' energy: -125.765
flat angles P-C4'-P energy: -82.773
tors. eta vs tors. theta energy: -150.597
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: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1687.675214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.675214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.675214 (E_RNA)
where:
Base-Base interactions energy: -1146.407
where: short stacking energy: -483.864
Base-Backbone interact. energy: -4.437
local terms energy: -536.830562
where:
bonds (distance) C4'-P energy: -97.485
bonds (distance) P-C4' energy: -114.578
flat angles C4'-P-C4' energy: -113.977
flat angles P-C4'-P energy: -71.182
tors. eta vs tors. theta energy: -139.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1556.439226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.439226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.439226 (E_RNA)
where:
Base-Base interactions energy: -1072.828
where: short stacking energy: -465.431
Base-Backbone interact. energy: 2.502
local terms energy: -486.113268
where:
bonds (distance) C4'-P energy: -98.637
bonds (distance) P-C4' energy: -100.561
flat angles C4'-P-C4' energy: -106.046
flat angles P-C4'-P energy: -64.752
tors. eta vs tors. theta energy: -116.117
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: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1468.024349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.024349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.024349 (E_RNA)
where:
Base-Base interactions energy: -1016.297
where: short stacking energy: -433.718
Base-Backbone interact. energy: -1.598
local terms energy: -450.129443
where:
bonds (distance) C4'-P energy: -91.080
bonds (distance) P-C4' energy: -87.222
flat angles C4'-P-C4' energy: -100.996
flat angles P-C4'-P energy: -50.516
tors. eta vs tors. theta energy: -120.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1343.412058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.412058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.412058 (E_RNA)
where:
Base-Base interactions energy: -909.396
where: short stacking energy: -394.113
Base-Backbone interact. energy: 2.421
local terms energy: -436.436740
where:
bonds (distance) C4'-P energy: -80.586
bonds (distance) P-C4' energy: -96.923
flat angles C4'-P-C4' energy: -101.718
flat angles P-C4'-P energy: -64.806
tors. eta vs tors. theta energy: -92.405
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: 8, replica: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1322.339981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.339981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.339981 (E_RNA)
where:
Base-Base interactions energy: -902.588
where: short stacking energy: -400.644
Base-Backbone interact. energy: -1.072
local terms energy: -418.680483
where:
bonds (distance) C4'-P energy: -78.232
bonds (distance) P-C4' energy: -94.411
flat angles C4'-P-C4' energy: -84.806
flat angles P-C4'-P energy: -67.254
tors. eta vs tors. theta energy: -93.978
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: 314
Temperature: 1.300000
Total energy: -948.317881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.317881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.317881 (E_RNA)
where:
Base-Base interactions energy: -598.323
where: short stacking energy: -282.179
Base-Backbone interact. energy: 2.040
local terms energy: -352.035031
where:
bonds (distance) C4'-P energy: -94.032
bonds (distance) P-C4' energy: -77.592
flat angles C4'-P-C4' energy: -76.740
flat angles P-C4'-P energy: -45.527
tors. eta vs tors. theta energy: -58.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -418.530580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.530580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.530580 (E_RNA)
where:
Base-Base interactions energy: -142.524
where: short stacking energy: -102.215
Base-Backbone interact. energy: 0.634
local terms energy: -276.640564
where:
bonds (distance) C4'-P energy: -87.656
bonds (distance) P-C4' energy: -95.506
flat angles C4'-P-C4' energy: -72.674
flat angles P-C4'-P energy: -39.463
tors. eta vs tors. theta energy: 18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1903.099281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.099281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.099281 (E_RNA)
where:
Base-Base interactions energy: -1308.595
where: short stacking energy: -551.474
Base-Backbone interact. energy: -1.320
local terms energy: -593.184379
where:
bonds (distance) C4'-P energy: -111.144
bonds (distance) P-C4' energy: -105.573
flat angles C4'-P-C4' energy: -124.057
flat angles P-C4'-P energy: -83.898
tors. eta vs tors. theta energy: -168.511
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: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1893.015724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.015724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.015724 (E_RNA)
where:
Base-Base interactions energy: -1316.231
where: short stacking energy: -535.699
Base-Backbone interact. energy: -5.655
local terms energy: -571.130214
where:
bonds (distance) C4'-P energy: -101.218
bonds (distance) P-C4' energy: -113.755
flat angles C4'-P-C4' energy: -116.956
flat angles P-C4'-P energy: -83.240
tors. eta vs tors. theta energy: -155.961
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: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1840.382474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.382474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.382474 (E_RNA)
where:
Base-Base interactions energy: -1263.953
where: short stacking energy: -561.769
Base-Backbone interact. energy: -2.301
local terms energy: -574.128722
where:
bonds (distance) C4'-P energy: -97.181
bonds (distance) P-C4' energy: -103.990
flat angles C4'-P-C4' energy: -116.882
flat angles P-C4'-P energy: -88.714
tors. eta vs tors. theta energy: -167.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1661.171131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.171131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.171131 (E_RNA)
where:
Base-Base interactions energy: -1142.778
where: short stacking energy: -513.325
Base-Backbone interact. energy: -0.160
local terms energy: -518.232407
where:
bonds (distance) C4'-P energy: -93.299
bonds (distance) P-C4' energy: -88.694
flat angles C4'-P-C4' energy: -112.393
flat angles P-C4'-P energy: -81.341
tors. eta vs tors. theta energy: -142.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1552.525114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.525114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.525114 (E_RNA)
where:
Base-Base interactions energy: -1074.562
where: short stacking energy: -449.806
Base-Backbone interact. energy: -1.419
local terms energy: -476.543691
where:
bonds (distance) C4'-P energy: -88.788
bonds (distance) P-C4' energy: -92.827
flat angles C4'-P-C4' energy: -106.451
flat angles P-C4'-P energy: -68.709
tors. eta vs tors. theta energy: -119.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1484.639968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.639968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.639968 (E_RNA)
where:
Base-Base interactions energy: -996.125
where: short stacking energy: -410.336
Base-Backbone interact. energy: 4.255
local terms energy: -492.770486
where:
bonds (distance) C4'-P energy: -100.939
bonds (distance) P-C4' energy: -101.324
flat angles C4'-P-C4' energy: -114.419
flat angles P-C4'-P energy: -68.903
tors. eta vs tors. theta energy: -107.185
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: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1312.586533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.586533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.586533 (E_RNA)
where:
Base-Base interactions energy: -877.966
where: short stacking energy: -391.448
Base-Backbone interact. energy: -0.339
local terms energy: -434.281141
where:
bonds (distance) C4'-P energy: -68.225
bonds (distance) P-C4' energy: -92.586
flat angles C4'-P-C4' energy: -102.054
flat angles P-C4'-P energy: -68.947
tors. eta vs tors. theta energy: -102.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1301.411475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.411475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.411475 (E_RNA)
where:
Base-Base interactions energy: -882.996
where: short stacking energy: -352.424
Base-Backbone interact. energy: -1.170
local terms energy: -417.245920
where:
bonds (distance) C4'-P energy: -90.151
bonds (distance) P-C4' energy: -101.091
flat angles C4'-P-C4' energy: -95.218
flat angles P-C4'-P energy: -44.648
tors. eta vs tors. theta energy: -86.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -971.643892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.643892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.643892 (E_RNA)
where:
Base-Base interactions energy: -597.562
where: short stacking energy: -286.253
Base-Backbone interact. energy: 2.129
local terms energy: -376.211708
where:
bonds (distance) C4'-P energy: -90.999
bonds (distance) P-C4' energy: -95.539
flat angles C4'-P-C4' energy: -78.379
flat angles P-C4'-P energy: -55.277
tors. eta vs tors. theta energy: -56.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -431.819095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.819095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.819095 (E_RNA)
where:
Base-Base interactions energy: -122.433
where: short stacking energy: -102.278
Base-Backbone interact. energy: 3.669
local terms energy: -313.054938
where:
bonds (distance) C4'-P energy: -99.781
bonds (distance) P-C4' energy: -104.846
flat angles C4'-P-C4' energy: -86.847
flat angles P-C4'-P energy: -45.614
tors. eta vs tors. theta energy: 24.033
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: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1911.028295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.028295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.028295 (E_RNA)
where:
Base-Base interactions energy: -1310.749
where: short stacking energy: -553.319
Base-Backbone interact. energy: -2.660
local terms energy: -597.618870
where:
bonds (distance) C4'-P energy: -113.874
bonds (distance) P-C4' energy: -105.503
flat angles C4'-P-C4' energy: -131.200
flat angles P-C4'-P energy: -85.329
tors. eta vs tors. theta energy: -161.713
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: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1872.903896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.903896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.903896 (E_RNA)
where:
Base-Base interactions energy: -1308.919
where: short stacking energy: -555.304
Base-Backbone interact. energy: -2.604
local terms energy: -561.380978
where:
bonds (distance) C4'-P energy: -111.409
bonds (distance) P-C4' energy: -104.101
flat angles C4'-P-C4' energy: -118.923
flat angles P-C4'-P energy: -72.281
tors. eta vs tors. theta energy: -154.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1816.385461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.385461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.385461 (E_RNA)
where:
Base-Base interactions energy: -1233.489
where: short stacking energy: -539.565
Base-Backbone interact. energy: -3.495
local terms energy: -579.401404
where:
bonds (distance) C4'-P energy: -117.496
bonds (distance) P-C4' energy: -107.517
flat angles C4'-P-C4' energy: -125.335
flat angles P-C4'-P energy: -71.134
tors. eta vs tors. theta energy: -157.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1651.986816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.986816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.986816 (E_RNA)
where:
Base-Base interactions energy: -1105.329
where: short stacking energy: -478.655
Base-Backbone interact. energy: -0.347
local terms energy: -546.310830
where:
bonds (distance) C4'-P energy: -100.978
bonds (distance) P-C4' energy: -107.003
flat angles C4'-P-C4' energy: -116.202
flat angles P-C4'-P energy: -82.729
tors. eta vs tors. theta energy: -139.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1589.766183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.766183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.766183 (E_RNA)
where:
Base-Base interactions energy: -1081.305
where: short stacking energy: -466.475
Base-Backbone interact. energy: -1.515
local terms energy: -506.945801
where:
bonds (distance) C4'-P energy: -93.788
bonds (distance) P-C4' energy: -94.490
flat angles C4'-P-C4' energy: -110.445
flat angles P-C4'-P energy: -73.263
tors. eta vs tors. theta energy: -134.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1487.008437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.008437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.008437 (E_RNA)
where:
Base-Base interactions energy: -1021.636
where: short stacking energy: -390.091
Base-Backbone interact. energy: -1.106
local terms energy: -464.266264
where:
bonds (distance) C4'-P energy: -89.231
bonds (distance) P-C4' energy: -96.063
flat angles C4'-P-C4' energy: -104.302
flat angles P-C4'-P energy: -60.786
tors. eta vs tors. theta energy: -113.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1328.916715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.916715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.916715 (E_RNA)
where:
Base-Base interactions energy: -866.594
where: short stacking energy: -351.393
Base-Backbone interact. energy: -1.977
local terms energy: -460.345075
where:
bonds (distance) C4'-P energy: -92.444
bonds (distance) P-C4' energy: -96.151
flat angles C4'-P-C4' energy: -110.109
flat angles P-C4'-P energy: -64.841
tors. eta vs tors. theta energy: -96.800
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: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1270.883591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.883591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.883591 (E_RNA)
where:
Base-Base interactions energy: -862.234
where: short stacking energy: -352.457
Base-Backbone interact. energy: 0.229
local terms energy: -408.878898
where:
bonds (distance) C4'-P energy: -77.846
bonds (distance) P-C4' energy: -88.796
flat angles C4'-P-C4' energy: -89.397
flat angles P-C4'-P energy: -64.125
tors. eta vs tors. theta energy: -88.715
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: 316
Temperature: 1.300000
Total energy: -926.464696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.464696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.464696 (E_RNA)
where:
Base-Base interactions energy: -582.376
where: short stacking energy: -292.545
Base-Backbone interact. energy: -4.381
local terms energy: -339.707951
where:
bonds (distance) C4'-P energy: -71.951
bonds (distance) P-C4' energy: -93.884
flat angles C4'-P-C4' energy: -75.642
flat angles P-C4'-P energy: -51.948
tors. eta vs tors. theta energy: -46.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -409.642835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.642835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.642835 (E_RNA)
where:
Base-Base interactions energy: -138.832
where: short stacking energy: -121.248
Base-Backbone interact. energy: -0.223
local terms energy: -270.587339
where:
bonds (distance) C4'-P energy: -71.967
bonds (distance) P-C4' energy: -96.610
flat angles C4'-P-C4' energy: -83.754
flat angles P-C4'-P energy: -39.756
tors. eta vs tors. theta energy: 21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1938.776126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.776126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.776126 (E_RNA)
where:
Base-Base interactions energy: -1325.417
where: short stacking energy: -590.385
Base-Backbone interact. energy: -2.985
local terms energy: -610.373824
where:
bonds (distance) C4'-P energy: -109.780
bonds (distance) P-C4' energy: -123.238
flat angles C4'-P-C4' energy: -116.943
flat angles P-C4'-P energy: -85.700
tors. eta vs tors. theta energy: -174.713
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: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1882.867683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.867683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.867683 (E_RNA)
where:
Base-Base interactions energy: -1324.849
where: short stacking energy: -559.208
Base-Backbone interact. energy: -0.597
local terms energy: -557.422203
where:
bonds (distance) C4'-P energy: -91.781
bonds (distance) P-C4' energy: -94.538
flat angles C4'-P-C4' energy: -121.221
flat angles P-C4'-P energy: -85.545
tors. eta vs tors. theta energy: -164.337
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: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1821.136336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.136336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.136336 (E_RNA)
where:
Base-Base interactions energy: -1271.964
where: short stacking energy: -550.757
Base-Backbone interact. energy: -2.330
local terms energy: -546.842114
where:
bonds (distance) C4'-P energy: -95.975
bonds (distance) P-C4' energy: -95.331
flat angles C4'-P-C4' energy: -114.796
flat angles P-C4'-P energy: -80.051
tors. eta vs tors. theta energy: -160.689
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: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1698.022249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.022249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.022249 (E_RNA)
where:
Base-Base interactions energy: -1184.267
where: short stacking energy: -502.134
Base-Backbone interact. energy: -2.914
local terms energy: -510.841537
where:
bonds (distance) C4'-P energy: -106.877
bonds (distance) P-C4' energy: -79.614
flat angles C4'-P-C4' energy: -106.550
flat angles P-C4'-P energy: -71.207
tors. eta vs tors. theta energy: -146.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1590.146109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.146109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.146109 (E_RNA)
where:
Base-Base interactions energy: -1069.553
where: short stacking energy: -461.335
Base-Backbone interact. energy: -0.317
local terms energy: -520.275298
where:
bonds (distance) C4'-P energy: -103.231
bonds (distance) P-C4' energy: -104.931
flat angles C4'-P-C4' energy: -110.530
flat angles P-C4'-P energy: -72.798
tors. eta vs tors. theta energy: -128.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1513.107465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.107465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.107465 (E_RNA)
where:
Base-Base interactions energy: -1033.268
where: short stacking energy: -423.289
Base-Backbone interact. energy: -2.103
local terms energy: -477.736443
where:
bonds (distance) C4'-P energy: -86.980
bonds (distance) P-C4' energy: -92.479
flat angles C4'-P-C4' energy: -101.560
flat angles P-C4'-P energy: -78.249
tors. eta vs tors. theta energy: -118.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1331.404595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.404595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.404595 (E_RNA)
where:
Base-Base interactions energy: -908.177
where: short stacking energy: -404.099
Base-Backbone interact. energy: 1.619
local terms energy: -424.846265
where:
bonds (distance) C4'-P energy: -80.250
bonds (distance) P-C4' energy: -80.086
flat angles C4'-P-C4' energy: -97.267
flat angles P-C4'-P energy: -73.960
tors. eta vs tors. theta energy: -93.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1252.857809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.857809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.857809 (E_RNA)
where:
Base-Base interactions energy: -832.437
where: short stacking energy: -353.541
Base-Backbone interact. energy: -1.301
local terms energy: -419.119434
where:
bonds (distance) C4'-P energy: -102.087
bonds (distance) P-C4' energy: -89.251
flat angles C4'-P-C4' energy: -91.349
flat angles P-C4'-P energy: -55.696
tors. eta vs tors. theta energy: -80.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -945.370354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.370354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.370354 (E_RNA)
where:
Base-Base interactions energy: -574.194
where: short stacking energy: -263.899
Base-Backbone interact. energy: 5.713
local terms energy: -376.889047
where:
bonds (distance) C4'-P energy: -83.040
bonds (distance) P-C4' energy: -95.341
flat angles C4'-P-C4' energy: -86.915
flat angles P-C4'-P energy: -62.755
tors. eta vs tors. theta energy: -48.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -457.240318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.240318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.240318 (E_RNA)
where:
Base-Base interactions energy: -165.911
where: short stacking energy: -147.893
Base-Backbone interact. energy: 2.073
local terms energy: -293.402692
where:
bonds (distance) C4'-P energy: -89.277
bonds (distance) P-C4' energy: -95.982
flat angles C4'-P-C4' energy: -62.292
flat angles P-C4'-P energy: -48.758
tors. eta vs tors. theta energy: 2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1930.689545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.689545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.689545 (E_RNA)
where:
Base-Base interactions energy: -1345.272
where: short stacking energy: -574.544
Base-Backbone interact. energy: -2.644
local terms energy: -582.773450
where:
bonds (distance) C4'-P energy: -103.477
bonds (distance) P-C4' energy: -104.582
flat angles C4'-P-C4' energy: -119.759
flat angles P-C4'-P energy: -78.788
tors. eta vs tors. theta energy: -176.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1889.041072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.041072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.041072 (E_RNA)
where:
Base-Base interactions energy: -1315.119
where: short stacking energy: -556.256
Base-Backbone interact. energy: -1.260
local terms energy: -572.661801
where:
bonds (distance) C4'-P energy: -100.013
bonds (distance) P-C4' energy: -105.556
flat angles C4'-P-C4' energy: -117.074
flat angles P-C4'-P energy: -78.390
tors. eta vs tors. theta energy: -171.628
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: 318
Temperature: 1.000000
Total energy: -1797.554740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.554740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.554740 (E_RNA)
where:
Base-Base interactions energy: -1224.042
where: short stacking energy: -526.950
Base-Backbone interact. energy: -0.031
local terms energy: -573.482194
where:
bonds (distance) C4'-P energy: -102.252
bonds (distance) P-C4' energy: -102.395
flat angles C4'-P-C4' energy: -127.442
flat angles P-C4'-P energy: -85.613
tors. eta vs tors. theta energy: -155.780
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: 318
Temperature: 1.050000
Total energy: -1683.056966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.056966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.056966 (E_RNA)
where:
Base-Base interactions energy: -1144.204
where: short stacking energy: -494.483
Base-Backbone interact. energy: -1.109
local terms energy: -537.744177
where:
bonds (distance) C4'-P energy: -86.570
bonds (distance) P-C4' energy: -109.924
flat angles C4'-P-C4' energy: -112.707
flat angles P-C4'-P energy: -84.170
tors. eta vs tors. theta energy: -144.373
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: 318
Temperature: 1.100000
Total energy: -1607.420538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.420538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.420538 (E_RNA)
where:
Base-Base interactions energy: -1107.094
where: short stacking energy: -475.312
Base-Backbone interact. energy: -1.197
local terms energy: -499.130284
where:
bonds (distance) C4'-P energy: -81.956
bonds (distance) P-C4' energy: -96.836
flat angles C4'-P-C4' energy: -114.604
flat angles P-C4'-P energy: -72.969
tors. eta vs tors. theta energy: -132.764
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: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1500.963644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.963644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.963644 (E_RNA)
where:
Base-Base interactions energy: -1026.322
where: short stacking energy: -419.532
Base-Backbone interact. energy: -2.717
local terms energy: -471.924941
where:
bonds (distance) C4'-P energy: -88.351
bonds (distance) P-C4' energy: -106.399
flat angles C4'-P-C4' energy: -104.276
flat angles P-C4'-P energy: -58.554
tors. eta vs tors. theta energy: -114.346
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: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1388.463620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.463620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.463620 (E_RNA)
where:
Base-Base interactions energy: -965.524
where: short stacking energy: -398.460
Base-Backbone interact. energy: -0.502
local terms energy: -422.437362
where:
bonds (distance) C4'-P energy: -67.862
bonds (distance) P-C4' energy: -100.101
flat angles C4'-P-C4' energy: -104.025
flat angles P-C4'-P energy: -47.213
tors. eta vs tors. theta energy: -103.236
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: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1245.603872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.603872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.603872 (E_RNA)
where:
Base-Base interactions energy: -842.026
where: short stacking energy: -356.224
Base-Backbone interact. energy: -3.074
local terms energy: -400.503924
where:
bonds (distance) C4'-P energy: -95.373
bonds (distance) P-C4' energy: -91.602
flat angles C4'-P-C4' energy: -86.406
flat angles P-C4'-P energy: -48.181
tors. eta vs tors. theta energy: -78.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -948.264678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.264678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.264678 (E_RNA)
where:
Base-Base interactions energy: -611.668
where: short stacking energy: -263.787
Base-Backbone interact. energy: 9.943
local terms energy: -346.540193
where:
bonds (distance) C4'-P energy: -66.814
bonds (distance) P-C4' energy: -100.940
flat angles C4'-P-C4' energy: -76.421
flat angles P-C4'-P energy: -53.935
tors. eta vs tors. theta energy: -48.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -423.967989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.967989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.967989 (E_RNA)
where:
Base-Base interactions energy: -139.686
where: short stacking energy: -131.330
Base-Backbone interact. energy: -0.250
local terms energy: -284.032071
where:
bonds (distance) C4'-P energy: -83.302
bonds (distance) P-C4' energy: -94.414
flat angles C4'-P-C4' energy: -74.603
flat angles P-C4'-P energy: -39.743
tors. eta vs tors. theta energy: 8.031
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: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1929.686225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.686225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.686225 (E_RNA)
where:
Base-Base interactions energy: -1343.416
where: short stacking energy: -564.778
Base-Backbone interact. energy: -1.531
local terms energy: -584.739166
where:
bonds (distance) C4'-P energy: -104.965
bonds (distance) P-C4' energy: -105.937
flat angles C4'-P-C4' energy: -120.528
flat angles P-C4'-P energy: -91.076
tors. eta vs tors. theta energy: -162.234
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: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1853.830775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.830775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.830775 (E_RNA)
where:
Base-Base interactions energy: -1263.804
where: short stacking energy: -539.738
Base-Backbone interact. energy: -1.440
local terms energy: -588.586044
where:
bonds (distance) C4'-P energy: -106.251
bonds (distance) P-C4' energy: -108.263
flat angles C4'-P-C4' energy: -119.021
flat angles P-C4'-P energy: -87.973
tors. eta vs tors. theta energy: -167.078
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: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1839.721548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.721548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.721548 (E_RNA)
where:
Base-Base interactions energy: -1258.900
where: short stacking energy: -534.126
Base-Backbone interact. energy: -4.181
local terms energy: -576.640444
where:
bonds (distance) C4'-P energy: -106.773
bonds (distance) P-C4' energy: -107.195
flat angles C4'-P-C4' energy: -121.370
flat angles P-C4'-P energy: -76.884
tors. eta vs tors. theta energy: -164.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1700.017970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.017970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.017970 (E_RNA)
where:
Base-Base interactions energy: -1160.212
where: short stacking energy: -521.470
Base-Backbone interact. energy: -1.342
local terms energy: -538.464060
where:
bonds (distance) C4'-P energy: -105.134
bonds (distance) P-C4' energy: -90.775
flat angles C4'-P-C4' energy: -110.265
flat angles P-C4'-P energy: -81.795
tors. eta vs tors. theta energy: -150.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1561.210680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.210680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.210680 (E_RNA)
where:
Base-Base interactions energy: -1072.665
where: short stacking energy: -474.385
Base-Backbone interact. energy: -0.480
local terms energy: -488.065659
where:
bonds (distance) C4'-P energy: -86.220
bonds (distance) P-C4' energy: -89.638
flat angles C4'-P-C4' energy: -104.045
flat angles P-C4'-P energy: -77.113
tors. eta vs tors. theta energy: -131.049
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: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1493.630100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.630100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.630100 (E_RNA)
where:
Base-Base interactions energy: -1022.247
where: short stacking energy: -415.315
Base-Backbone interact. energy: -1.890
local terms energy: -469.493078
where:
bonds (distance) C4'-P energy: -101.166
bonds (distance) P-C4' energy: -96.503
flat angles C4'-P-C4' energy: -103.807
flat angles P-C4'-P energy: -65.723
tors. eta vs tors. theta energy: -102.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1394.893514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.893514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.893514 (E_RNA)
where:
Base-Base interactions energy: -945.932
where: short stacking energy: -402.686
Base-Backbone interact. energy: 2.090
local terms energy: -451.050791
where:
bonds (distance) C4'-P energy: -95.212
bonds (distance) P-C4' energy: -100.029
flat angles C4'-P-C4' energy: -96.452
flat angles P-C4'-P energy: -63.192
tors. eta vs tors. theta energy: -96.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1002.672234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.672234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.672234 (E_RNA)
where:
Base-Base interactions energy: -623.241
where: short stacking energy: -293.237
Base-Backbone interact. energy: -3.421
local terms energy: -376.010980
where:
bonds (distance) C4'-P energy: -90.726
bonds (distance) P-C4' energy: -73.041
flat angles C4'-P-C4' energy: -91.468
flat angles P-C4'-P energy: -65.886
tors. eta vs tors. theta energy: -54.889
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: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1103.943761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.943761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.943761 (E_RNA)
where:
Base-Base interactions energy: -730.203
where: short stacking energy: -331.898
Base-Backbone interact. energy: -1.915
local terms energy: -371.825611
where:
bonds (distance) C4'-P energy: -66.986
bonds (distance) P-C4' energy: -88.231
flat angles C4'-P-C4' energy: -98.640
flat angles P-C4'-P energy: -51.259
tors. eta vs tors. theta energy: -66.710
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: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -447.189587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.189587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.189587 (E_RNA)
where:
Base-Base interactions energy: -156.779
where: short stacking energy: -131.487
Base-Backbone interact. energy: 3.040
local terms energy: -293.450598
where:
bonds (distance) C4'-P energy: -96.155
bonds (distance) P-C4' energy: -96.740
flat angles C4'-P-C4' energy: -60.718
flat angles P-C4'-P energy: -51.463
tors. eta vs tors. theta energy: 11.625
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: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1960.224487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.224487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.224487 (E_RNA)
where:
Base-Base interactions energy: -1353.547
where: short stacking energy: -582.258
Base-Backbone interact. energy: 1.742
local terms energy: -608.419435
where:
bonds (distance) C4'-P energy: -96.344
bonds (distance) P-C4' energy: -118.276
flat angles C4'-P-C4' energy: -121.847
flat angles P-C4'-P energy: -103.462
tors. eta vs tors. theta energy: -168.491
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: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1874.009613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.009613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.009613 (E_RNA)
where:
Base-Base interactions energy: -1292.974
where: short stacking energy: -557.248
Base-Backbone interact. energy: -0.074
local terms energy: -580.961226
where:
bonds (distance) C4'-P energy: -100.595
bonds (distance) P-C4' energy: -104.388
flat angles C4'-P-C4' energy: -122.652
flat angles P-C4'-P energy: -82.726
tors. eta vs tors. theta energy: -170.599
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: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1850.102552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.102552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.102552 (E_RNA)
where:
Base-Base interactions energy: -1256.044
where: short stacking energy: -555.160
Base-Backbone interact. energy: -4.873
local terms energy: -589.185669
where:
bonds (distance) C4'-P energy: -99.558
bonds (distance) P-C4' energy: -109.952
flat angles C4'-P-C4' energy: -118.797
flat angles P-C4'-P energy: -88.823
tors. eta vs tors. theta energy: -172.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1640.170561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.170561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.170561 (E_RNA)
where:
Base-Base interactions energy: -1124.197
where: short stacking energy: -484.476
Base-Backbone interact. energy: -1.955
local terms energy: -514.018915
where:
bonds (distance) C4'-P energy: -95.140
bonds (distance) P-C4' energy: -100.623
flat angles C4'-P-C4' energy: -109.480
flat angles P-C4'-P energy: -80.086
tors. eta vs tors. theta energy: -128.689
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: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1578.623111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.623111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.623111 (E_RNA)
where:
Base-Base interactions energy: -1081.450
where: short stacking energy: -496.231
Base-Backbone interact. energy: -1.236
local terms energy: -495.937405
where:
bonds (distance) C4'-P energy: -90.797
bonds (distance) P-C4' energy: -103.877
flat angles C4'-P-C4' energy: -110.492
flat angles P-C4'-P energy: -59.068
tors. eta vs tors. theta energy: -131.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1506.788743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.788743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.788743 (E_RNA)
where:
Base-Base interactions energy: -1043.239
where: short stacking energy: -429.342
Base-Backbone interact. energy: -2.429
local terms energy: -461.121095
where:
bonds (distance) C4'-P energy: -92.449
bonds (distance) P-C4' energy: -99.265
flat angles C4'-P-C4' energy: -98.323
flat angles P-C4'-P energy: -60.272
tors. eta vs tors. theta energy: -110.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1343.453612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.453612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.453612 (E_RNA)
where:
Base-Base interactions energy: -914.057
where: short stacking energy: -398.104
Base-Backbone interact. energy: 5.282
local terms energy: -434.678669
where:
bonds (distance) C4'-P energy: -92.639
bonds (distance) P-C4' energy: -82.850
flat angles C4'-P-C4' energy: -102.462
flat angles P-C4'-P energy: -64.743
tors. eta vs tors. theta energy: -91.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1057.500848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.500848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.500848 (E_RNA)
where:
Base-Base interactions energy: -675.771
where: short stacking energy: -306.733
Base-Backbone interact. energy: 1.635
local terms energy: -383.364204
where:
bonds (distance) C4'-P energy: -83.139
bonds (distance) P-C4' energy: -91.925
flat angles C4'-P-C4' energy: -97.519
flat angles P-C4'-P energy: -62.901
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: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1086.317495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.317495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.317495 (E_RNA)
where:
Base-Base interactions energy: -704.790
where: short stacking energy: -294.851
Base-Backbone interact. energy: -4.519
local terms energy: -377.008056
where:
bonds (distance) C4'-P energy: -91.997
bonds (distance) P-C4' energy: -76.221
flat angles C4'-P-C4' energy: -85.296
flat angles P-C4'-P energy: -53.553
tors. eta vs tors. theta energy: -69.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -406.297883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.297883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.297883 (E_RNA)
where:
Base-Base interactions energy: -114.796
where: short stacking energy: -110.116
Base-Backbone interact. energy: 2.479
local terms energy: -293.981639
where:
bonds (distance) C4'-P energy: -85.417
bonds (distance) P-C4' energy: -100.286
flat angles C4'-P-C4' energy: -86.540
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: 17.495
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: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1953.325282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.325282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.325282 (E_RNA)
where:
Base-Base interactions energy: -1367.070
where: short stacking energy: -590.372
Base-Backbone interact. energy: -0.312
local terms energy: -585.942841
where:
bonds (distance) C4'-P energy: -113.064
bonds (distance) P-C4' energy: -99.594
flat angles C4'-P-C4' energy: -116.663
flat angles P-C4'-P energy: -87.937
tors. eta vs tors. theta energy: -168.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1880.310196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.310196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.310196 (E_RNA)
where:
Base-Base interactions energy: -1313.582
where: short stacking energy: -554.309
Base-Backbone interact. energy: -2.124
local terms energy: -564.604318
where:
bonds (distance) C4'-P energy: -94.623
bonds (distance) P-C4' energy: -94.877
flat angles C4'-P-C4' energy: -118.029
flat angles P-C4'-P energy: -86.275
tors. eta vs tors. theta energy: -170.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1811.098732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.098732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.098732 (E_RNA)
where:
Base-Base interactions energy: -1264.940
where: short stacking energy: -543.520
Base-Backbone interact. energy: -3.013
local terms energy: -543.146028
where:
bonds (distance) C4'-P energy: -105.784
bonds (distance) P-C4' energy: -95.901
flat angles C4'-P-C4' energy: -103.390
flat angles P-C4'-P energy: -78.652
tors. eta vs tors. theta energy: -159.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1633.856111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.856111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.856111 (E_RNA)
where:
Base-Base interactions energy: -1102.755
where: short stacking energy: -485.807
Base-Backbone interact. energy: -1.149
local terms energy: -529.952188
where:
bonds (distance) C4'-P energy: -97.084
bonds (distance) P-C4' energy: -94.823
flat angles C4'-P-C4' energy: -116.684
flat angles P-C4'-P energy: -83.710
tors. eta vs tors. theta energy: -137.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1599.153760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.153760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.153760 (E_RNA)
where:
Base-Base interactions energy: -1096.768
where: short stacking energy: -470.195
Base-Backbone interact. energy: 4.123
local terms energy: -506.508918
where:
bonds (distance) C4'-P energy: -91.286
bonds (distance) P-C4' energy: -96.747
flat angles C4'-P-C4' energy: -111.449
flat angles P-C4'-P energy: -76.088
tors. eta vs tors. theta energy: -130.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1501.928962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.928962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.928962 (E_RNA)
where:
Base-Base interactions energy: -1032.766
where: short stacking energy: -416.904
Base-Backbone interact. energy: 1.460
local terms energy: -470.623022
where:
bonds (distance) C4'-P energy: -94.424
bonds (distance) P-C4' energy: -105.945
flat angles C4'-P-C4' energy: -94.394
flat angles P-C4'-P energy: -61.912
tors. eta vs tors. theta energy: -113.947
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: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1403.311428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.311428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.311428 (E_RNA)
where:
Base-Base interactions energy: -956.510
where: short stacking energy: -431.537
Base-Backbone interact. energy: -3.286
local terms energy: -443.515765
where:
bonds (distance) C4'-P energy: -78.041
bonds (distance) P-C4' energy: -89.443
flat angles C4'-P-C4' energy: -103.485
flat angles P-C4'-P energy: -58.515
tors. eta vs tors. theta energy: -114.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1160.503983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.503983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.503983 (E_RNA)
where:
Base-Base interactions energy: -742.859
where: short stacking energy: -335.805
Base-Backbone interact. energy: -2.996
local terms energy: -414.648992
where:
bonds (distance) C4'-P energy: -77.863
bonds (distance) P-C4' energy: -101.840
flat angles C4'-P-C4' energy: -99.284
flat angles P-C4'-P energy: -63.125
tors. eta vs tors. theta energy: -72.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -948.091102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.091102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.091102 (E_RNA)
where:
Base-Base interactions energy: -571.590
where: short stacking energy: -277.146
Base-Backbone interact. energy: -1.831
local terms energy: -374.670649
where:
bonds (distance) C4'-P energy: -83.444
bonds (distance) P-C4' energy: -93.208
flat angles C4'-P-C4' energy: -94.440
flat angles P-C4'-P energy: -52.991
tors. eta vs tors. theta energy: -50.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -472.408536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.408536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.408536 (E_RNA)
where:
Base-Base interactions energy: -181.257
where: short stacking energy: -157.382
Base-Backbone interact. energy: -1.908
local terms energy: -289.243535
where:
bonds (distance) C4'-P energy: -80.936
bonds (distance) P-C4' energy: -100.903
flat angles C4'-P-C4' energy: -82.801
flat angles P-C4'-P energy: -40.202
tors. eta vs tors. theta energy: 15.599
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: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1954.979190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.979190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.979190 (E_RNA)
where:
Base-Base interactions energy: -1360.651
where: short stacking energy: -570.673
Base-Backbone interact. energy: -1.711
local terms energy: -592.616599
where:
bonds (distance) C4'-P energy: -101.004
bonds (distance) P-C4' energy: -112.525
flat angles C4'-P-C4' energy: -116.852
flat angles P-C4'-P energy: -87.591
tors. eta vs tors. theta energy: -174.644
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: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1871.446630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.446630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.446630 (E_RNA)
where:
Base-Base interactions energy: -1300.425
where: short stacking energy: -581.736
Base-Backbone interact. energy: 0.307
local terms energy: -571.328688
where:
bonds (distance) C4'-P energy: -105.055
bonds (distance) P-C4' energy: -100.653
flat angles C4'-P-C4' energy: -116.875
flat angles P-C4'-P energy: -78.818
tors. eta vs tors. theta energy: -169.927
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: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1796.739012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.739012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.739012 (E_RNA)
where:
Base-Base interactions energy: -1234.685
where: short stacking energy: -540.629
Base-Backbone interact. energy: -1.487
local terms energy: -560.566480
where:
bonds (distance) C4'-P energy: -97.864
bonds (distance) P-C4' energy: -99.007
flat angles C4'-P-C4' energy: -126.560
flat angles P-C4'-P energy: -81.167
tors. eta vs tors. theta energy: -155.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1627.021994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.021994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.021994 (E_RNA)
where:
Base-Base interactions energy: -1126.425
where: short stacking energy: -490.473
Base-Backbone interact. energy: -2.957
local terms energy: -497.640064
where:
bonds (distance) C4'-P energy: -88.079
bonds (distance) P-C4' energy: -95.927
flat angles C4'-P-C4' energy: -118.693
flat angles P-C4'-P energy: -65.230
tors. eta vs tors. theta energy: -129.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1605.850965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.850965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.850965 (E_RNA)
where:
Base-Base interactions energy: -1087.957
where: short stacking energy: -472.916
Base-Backbone interact. energy: 3.193
local terms energy: -521.087021
where:
bonds (distance) C4'-P energy: -94.058
bonds (distance) P-C4' energy: -107.861
flat angles C4'-P-C4' energy: -102.317
flat angles P-C4'-P energy: -84.939
tors. eta vs tors. theta energy: -131.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1531.350431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.350431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.350431 (E_RNA)
where:
Base-Base interactions energy: -1041.368
where: short stacking energy: -421.926
Base-Backbone interact. energy: 0.407
local terms energy: -490.389183
where:
bonds (distance) C4'-P energy: -79.809
bonds (distance) P-C4' energy: -106.798
flat angles C4'-P-C4' energy: -111.462
flat angles P-C4'-P energy: -73.804
tors. eta vs tors. theta energy: -118.516
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: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1384.445221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.445221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.445221 (E_RNA)
where:
Base-Base interactions energy: -924.661
where: short stacking energy: -419.515
Base-Backbone interact. energy: -0.394
local terms energy: -459.389732
where:
bonds (distance) C4'-P energy: -91.394
bonds (distance) P-C4' energy: -104.520
flat angles C4'-P-C4' energy: -95.614
flat angles P-C4'-P energy: -62.210
tors. eta vs tors. theta energy: -105.652
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: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1189.993990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.993990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.993990 (E_RNA)
where:
Base-Base interactions energy: -795.723
where: short stacking energy: -339.672
Base-Backbone interact. energy: 0.424
local terms energy: -394.695516
where:
bonds (distance) C4'-P energy: -79.964
bonds (distance) P-C4' energy: -96.477
flat angles C4'-P-C4' energy: -86.539
flat angles P-C4'-P energy: -58.054
tors. eta vs tors. theta energy: -73.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -945.835390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.835390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.835390 (E_RNA)
where:
Base-Base interactions energy: -607.428
where: short stacking energy: -269.323
Base-Backbone interact. energy: -0.886
local terms energy: -337.521644
where:
bonds (distance) C4'-P energy: -88.910
bonds (distance) P-C4' energy: -94.281
flat angles C4'-P-C4' energy: -66.478
flat angles P-C4'-P energy: -43.628
tors. eta vs tors. theta energy: -44.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -456.315198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.315198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.315198 (E_RNA)
where:
Base-Base interactions energy: -153.354
where: short stacking energy: -110.393
Base-Backbone interact. energy: 0.121
local terms energy: -303.082030
where:
bonds (distance) C4'-P energy: -99.403
bonds (distance) P-C4' energy: -86.573
flat angles C4'-P-C4' energy: -81.899
flat angles P-C4'-P energy: -55.555
tors. eta vs tors. theta energy: 20.349
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: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1933.417177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.417177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.417177 (E_RNA)
where:
Base-Base interactions energy: -1346.245
where: short stacking energy: -581.331
Base-Backbone interact. energy: 4.646
local terms energy: -591.818289
where:
bonds (distance) C4'-P energy: -109.764
bonds (distance) P-C4' energy: -86.896
flat angles C4'-P-C4' energy: -134.036
flat angles P-C4'-P energy: -83.579
tors. eta vs tors. theta energy: -177.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1884.231183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.231183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.231183 (E_RNA)
where:
Base-Base interactions energy: -1294.660
where: short stacking energy: -559.634
Base-Backbone interact. energy: -3.707
local terms energy: -585.864187
where:
bonds (distance) C4'-P energy: -96.553
bonds (distance) P-C4' energy: -119.823
flat angles C4'-P-C4' energy: -124.042
flat angles P-C4'-P energy: -74.231
tors. eta vs tors. theta energy: -171.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1781.560768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.560768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.560768 (E_RNA)
where:
Base-Base interactions energy: -1219.204
where: short stacking energy: -516.901
Base-Backbone interact. energy: -2.782
local terms energy: -559.574897
where:
bonds (distance) C4'-P energy: -97.018
bonds (distance) P-C4' energy: -117.644
flat angles C4'-P-C4' energy: -120.594
flat angles P-C4'-P energy: -84.100
tors. eta vs tors. theta energy: -140.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1691.659186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.659186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.659186 (E_RNA)
where:
Base-Base interactions energy: -1153.286
where: short stacking energy: -512.961
Base-Backbone interact. energy: -1.944
local terms energy: -536.428396
where:
bonds (distance) C4'-P energy: -98.539
bonds (distance) P-C4' energy: -95.117
flat angles C4'-P-C4' energy: -122.565
flat angles P-C4'-P energy: -78.131
tors. eta vs tors. theta energy: -142.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1617.400734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.400734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.400734 (E_RNA)
where:
Base-Base interactions energy: -1106.779
where: short stacking energy: -488.667
Base-Backbone interact. energy: 1.718
local terms energy: -512.339536
where:
bonds (distance) C4'-P energy: -101.076
bonds (distance) P-C4' energy: -98.319
flat angles C4'-P-C4' energy: -98.122
flat angles P-C4'-P energy: -78.507
tors. eta vs tors. theta energy: -136.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1497.354241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.354241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.354241 (E_RNA)
where:
Base-Base interactions energy: -1022.882
where: short stacking energy: -445.556
Base-Backbone interact. energy: -1.243
local terms energy: -473.229149
where:
bonds (distance) C4'-P energy: -82.070
bonds (distance) P-C4' energy: -114.813
flat angles C4'-P-C4' energy: -105.976
flat angles P-C4'-P energy: -61.591
tors. eta vs tors. theta energy: -108.779
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: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1408.914117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.914117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.914117 (E_RNA)
where:
Base-Base interactions energy: -968.041
where: short stacking energy: -389.924
Base-Backbone interact. energy: -2.014
local terms energy: -438.858833
where:
bonds (distance) C4'-P energy: -81.874
bonds (distance) P-C4' energy: -94.434
flat angles C4'-P-C4' energy: -99.140
flat angles P-C4'-P energy: -60.007
tors. eta vs tors. theta energy: -103.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1212.544219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.544219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.544219 (E_RNA)
where:
Base-Base interactions energy: -818.881
where: short stacking energy: -340.447
Base-Backbone interact. energy: 2.516
local terms energy: -396.178769
where:
bonds (distance) C4'-P energy: -84.220
bonds (distance) P-C4' energy: -98.067
flat angles C4'-P-C4' energy: -95.915
flat angles P-C4'-P energy: -56.159
tors. eta vs tors. theta energy: -61.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -921.415146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.415146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.415146 (E_RNA)
where:
Base-Base interactions energy: -573.179
where: short stacking energy: -267.729
Base-Backbone interact. energy: -1.124
local terms energy: -347.112052
where:
bonds (distance) C4'-P energy: -91.886
bonds (distance) P-C4' energy: -80.836
flat angles C4'-P-C4' energy: -94.324
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -42.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -414.573038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.573038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.573038 (E_RNA)
where:
Base-Base interactions energy: -165.509
where: short stacking energy: -126.581
Base-Backbone interact. energy: 2.162
local terms energy: -251.225480
where:
bonds (distance) C4'-P energy: -72.498
bonds (distance) P-C4' energy: -93.907
flat angles C4'-P-C4' energy: -79.835
flat angles P-C4'-P energy: -36.729
tors. eta vs tors. theta energy: 31.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1929.829895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.829895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.829895 (E_RNA)
where:
Base-Base interactions energy: -1354.169
where: short stacking energy: -580.898
Base-Backbone interact. energy: -1.201
local terms energy: -574.460296
where:
bonds (distance) C4'-P energy: -111.628
bonds (distance) P-C4' energy: -101.805
flat angles C4'-P-C4' energy: -115.397
flat angles P-C4'-P energy: -86.146
tors. eta vs tors. theta energy: -159.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1882.590568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.590568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.590568 (E_RNA)
where:
Base-Base interactions energy: -1283.336
where: short stacking energy: -554.881
Base-Backbone interact. energy: -4.248
local terms energy: -595.006224
where:
bonds (distance) C4'-P energy: -110.025
bonds (distance) P-C4' energy: -105.634
flat angles C4'-P-C4' energy: -120.351
flat angles P-C4'-P energy: -86.462
tors. eta vs tors. theta energy: -172.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1828.297465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.297465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.297465 (E_RNA)
where:
Base-Base interactions energy: -1268.644
where: short stacking energy: -547.832
Base-Backbone interact. energy: 0.505
local terms energy: -560.158367
where:
bonds (distance) C4'-P energy: -99.518
bonds (distance) P-C4' energy: -118.097
flat angles C4'-P-C4' energy: -107.032
flat angles P-C4'-P energy: -78.643
tors. eta vs tors. theta energy: -156.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1693.706951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.706951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.706951 (E_RNA)
where:
Base-Base interactions energy: -1149.876
where: short stacking energy: -528.918
Base-Backbone interact. energy: -2.157
local terms energy: -541.674359
where:
bonds (distance) C4'-P energy: -105.056
bonds (distance) P-C4' energy: -99.498
flat angles C4'-P-C4' energy: -117.858
flat angles P-C4'-P energy: -73.703
tors. eta vs tors. theta energy: -145.560
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: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1627.669141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.669141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.669141 (E_RNA)
where:
Base-Base interactions energy: -1101.746
where: short stacking energy: -469.974
Base-Backbone interact. energy: -2.057
local terms energy: -523.866429
where:
bonds (distance) C4'-P energy: -93.804
bonds (distance) P-C4' energy: -108.473
flat angles C4'-P-C4' energy: -109.946
flat angles P-C4'-P energy: -78.046
tors. eta vs tors. theta energy: -133.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1509.708051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.708051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.708051 (E_RNA)
where:
Base-Base interactions energy: -1049.618
where: short stacking energy: -404.862
Base-Backbone interact. energy: -1.434
local terms energy: -458.655638
where:
bonds (distance) C4'-P energy: -79.611
bonds (distance) P-C4' energy: -104.544
flat angles C4'-P-C4' energy: -100.772
flat angles P-C4'-P energy: -59.487
tors. eta vs tors. theta energy: -114.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1360.889607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.889607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.889607 (E_RNA)
where:
Base-Base interactions energy: -927.767
where: short stacking energy: -375.186
Base-Backbone interact. energy: -2.546
local terms energy: -430.576825
where:
bonds (distance) C4'-P energy: -91.518
bonds (distance) P-C4' energy: -102.180
flat angles C4'-P-C4' energy: -103.228
flat angles P-C4'-P energy: -50.174
tors. eta vs tors. theta energy: -83.476
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: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1204.956933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.956933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.956933 (E_RNA)
where:
Base-Base interactions energy: -810.962
where: short stacking energy: -342.867
Base-Backbone interact. energy: -1.543
local terms energy: -392.451850
where:
bonds (distance) C4'-P energy: -92.675
bonds (distance) P-C4' energy: -81.432
flat angles C4'-P-C4' energy: -93.811
flat angles P-C4'-P energy: -55.345
tors. eta vs tors. theta energy: -69.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -872.314856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.314856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.314856 (E_RNA)
where:
Base-Base interactions energy: -536.905
where: short stacking energy: -258.736
Base-Backbone interact. energy: 1.424
local terms energy: -336.833066
where:
bonds (distance) C4'-P energy: -103.415
bonds (distance) P-C4' energy: -78.692
flat angles C4'-P-C4' energy: -60.467
flat angles P-C4'-P energy: -58.074
tors. eta vs tors. theta energy: -36.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -435.544904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.544904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.544904 (E_RNA)
where:
Base-Base interactions energy: -143.912
where: short stacking energy: -122.985
Base-Backbone interact. energy: -1.990
local terms energy: -289.643026
where:
bonds (distance) C4'-P energy: -90.038
bonds (distance) P-C4' energy: -78.499
flat angles C4'-P-C4' energy: -96.374
flat angles P-C4'-P energy: -50.837
tors. eta vs tors. theta energy: 26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1927.639973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.639973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.639973 (E_RNA)
where:
Base-Base interactions energy: -1355.121
where: short stacking energy: -585.946
Base-Backbone interact. energy: -1.527
local terms energy: -570.991848
where:
bonds (distance) C4'-P energy: -107.183
bonds (distance) P-C4' energy: -99.141
flat angles C4'-P-C4' energy: -119.160
flat angles P-C4'-P energy: -81.553
tors. eta vs tors. theta energy: -163.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1880.352802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.352802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.352802 (E_RNA)
where:
Base-Base interactions energy: -1295.912
where: short stacking energy: -561.715
Base-Backbone interact. energy: -1.780
local terms energy: -582.660998
where:
bonds (distance) C4'-P energy: -107.472
bonds (distance) P-C4' energy: -112.187
flat angles C4'-P-C4' energy: -119.469
flat angles P-C4'-P energy: -80.580
tors. eta vs tors. theta energy: -162.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1843.770286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.770286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.770286 (E_RNA)
where:
Base-Base interactions energy: -1282.276
where: short stacking energy: -553.407
Base-Backbone interact. energy: -1.106
local terms energy: -560.388157
where:
bonds (distance) C4'-P energy: -86.360
bonds (distance) P-C4' energy: -107.653
flat angles C4'-P-C4' energy: -126.431
flat angles P-C4'-P energy: -81.759
tors. eta vs tors. theta energy: -158.184
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: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1666.957009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.957009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.957009 (E_RNA)
where:
Base-Base interactions energy: -1136.102
where: short stacking energy: -502.122
Base-Backbone interact. energy: -1.130
local terms energy: -529.725221
where:
bonds (distance) C4'-P energy: -98.500
bonds (distance) P-C4' energy: -96.234
flat angles C4'-P-C4' energy: -108.653
flat angles P-C4'-P energy: -73.634
tors. eta vs tors. theta energy: -152.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1592.808881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.808881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.808881 (E_RNA)
where:
Base-Base interactions energy: -1069.010
where: short stacking energy: -450.780
Base-Backbone interact. energy: -1.654
local terms energy: -522.144667
where:
bonds (distance) C4'-P energy: -89.974
bonds (distance) P-C4' energy: -100.686
flat angles C4'-P-C4' energy: -109.316
flat angles P-C4'-P energy: -79.184
tors. eta vs tors. theta energy: -142.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1519.701727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.701727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.701727 (E_RNA)
where:
Base-Base interactions energy: -1051.434
where: short stacking energy: -422.262
Base-Backbone interact. energy: -1.089
local terms energy: -467.178193
where:
bonds (distance) C4'-P energy: -86.797
bonds (distance) P-C4' energy: -82.793
flat angles C4'-P-C4' energy: -109.922
flat angles P-C4'-P energy: -76.156
tors. eta vs tors. theta energy: -111.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1371.124299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.124299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.124299 (E_RNA)
where:
Base-Base interactions energy: -952.343
where: short stacking energy: -399.263
Base-Backbone interact. energy: -0.802
local terms energy: -417.980206
where:
bonds (distance) C4'-P energy: -93.870
bonds (distance) P-C4' energy: -78.838
flat angles C4'-P-C4' energy: -95.014
flat angles P-C4'-P energy: -54.225
tors. eta vs tors. theta energy: -96.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1202.687617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.687617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.687617 (E_RNA)
where:
Base-Base interactions energy: -800.104
where: short stacking energy: -347.445
Base-Backbone interact. energy: 0.514
local terms energy: -403.097408
where:
bonds (distance) C4'-P energy: -89.900
bonds (distance) P-C4' energy: -81.688
flat angles C4'-P-C4' energy: -99.569
flat angles P-C4'-P energy: -55.621
tors. eta vs tors. theta energy: -76.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -848.430600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.430600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.430600 (E_RNA)
where:
Base-Base interactions energy: -492.925
where: short stacking energy: -223.871
Base-Backbone interact. energy: 0.456
local terms energy: -355.961668
where:
bonds (distance) C4'-P energy: -81.922
bonds (distance) P-C4' energy: -92.279
flat angles C4'-P-C4' energy: -83.176
flat angles P-C4'-P energy: -65.811
tors. eta vs tors. theta energy: -32.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -426.473434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.473434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.473434 (E_RNA)
where:
Base-Base interactions energy: -160.120
where: short stacking energy: -124.245
Base-Backbone interact. energy: 0.876
local terms energy: -267.228743
where:
bonds (distance) C4'-P energy: -84.195
bonds (distance) P-C4' energy: -96.778
flat angles C4'-P-C4' energy: -69.456
flat angles P-C4'-P energy: -43.287
tors. eta vs tors. theta energy: 26.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1931.123382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.123382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.123382 (E_RNA)
where:
Base-Base interactions energy: -1342.610
where: short stacking energy: -584.148
Base-Backbone interact. energy: -0.412
local terms energy: -588.101514
where:
bonds (distance) C4'-P energy: -105.869
bonds (distance) P-C4' energy: -102.698
flat angles C4'-P-C4' energy: -119.483
flat angles P-C4'-P energy: -85.729
tors. eta vs tors. theta energy: -174.323
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: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1878.475499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.475499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.475499 (E_RNA)
where:
Base-Base interactions energy: -1293.595
where: short stacking energy: -550.844
Base-Backbone interact. energy: -3.064
local terms energy: -581.816392
where:
bonds (distance) C4'-P energy: -105.778
bonds (distance) P-C4' energy: -110.056
flat angles C4'-P-C4' energy: -118.423
flat angles P-C4'-P energy: -81.406
tors. eta vs tors. theta energy: -166.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1809.180389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.180389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.180389 (E_RNA)
where:
Base-Base interactions energy: -1238.873
where: short stacking energy: -547.123
Base-Backbone interact. energy: -2.363
local terms energy: -567.944698
where:
bonds (distance) C4'-P energy: -96.450
bonds (distance) P-C4' energy: -99.865
flat angles C4'-P-C4' energy: -122.262
flat angles P-C4'-P energy: -79.983
tors. eta vs tors. theta energy: -169.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1651.334705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.334705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.334705 (E_RNA)
where:
Base-Base interactions energy: -1108.206
where: short stacking energy: -484.526
Base-Backbone interact. energy: 0.809
local terms energy: -543.937594
where:
bonds (distance) C4'-P energy: -102.899
bonds (distance) P-C4' energy: -123.898
flat angles C4'-P-C4' energy: -110.400
flat angles P-C4'-P energy: -66.375
tors. eta vs tors. theta energy: -140.365
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: 5, replica: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1615.218574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.218574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.218574 (E_RNA)
where:
Base-Base interactions energy: -1099.264
where: short stacking energy: -493.209
Base-Backbone interact. energy: 2.622
local terms energy: -518.576658
where:
bonds (distance) C4'-P energy: -97.702
bonds (distance) P-C4' energy: -100.679
flat angles C4'-P-C4' energy: -108.453
flat angles P-C4'-P energy: -71.376
tors. eta vs tors. theta energy: -140.366
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: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1490.154791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.154791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.154791 (E_RNA)
where:
Base-Base interactions energy: -994.482
where: short stacking energy: -421.815
Base-Backbone interact. energy: -1.815
local terms energy: -493.857755
where:
bonds (distance) C4'-P energy: -109.277
bonds (distance) P-C4' energy: -94.014
flat angles C4'-P-C4' energy: -112.517
flat angles P-C4'-P energy: -51.490
tors. eta vs tors. theta energy: -126.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1365.962707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.962707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.962707 (E_RNA)
where:
Base-Base interactions energy: -925.733
where: short stacking energy: -399.142
Base-Backbone interact. energy: 0.309
local terms energy: -440.539003
where:
bonds (distance) C4'-P energy: -96.706
bonds (distance) P-C4' energy: -86.402
flat angles C4'-P-C4' energy: -95.430
flat angles P-C4'-P energy: -69.420
tors. eta vs tors. theta energy: -92.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1182.712055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.712055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.712055 (E_RNA)
where:
Base-Base interactions energy: -772.139
where: short stacking energy: -308.479
Base-Backbone interact. energy: -1.227
local terms energy: -409.346114
where:
bonds (distance) C4'-P energy: -78.437
bonds (distance) P-C4' energy: -100.552
flat angles C4'-P-C4' energy: -100.343
flat angles P-C4'-P energy: -59.231
tors. eta vs tors. theta energy: -70.783
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: 326
Temperature: 1.300000
Total energy: -870.045292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.045292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.045292 (E_RNA)
where:
Base-Base interactions energy: -507.499
where: short stacking energy: -240.126
Base-Backbone interact. energy: 0.213
local terms energy: -362.758374
where:
bonds (distance) C4'-P energy: -107.535
bonds (distance) P-C4' energy: -95.360
flat angles C4'-P-C4' energy: -88.166
flat angles P-C4'-P energy: -39.985
tors. eta vs tors. theta energy: -31.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -409.600734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.600734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.600734 (E_RNA)
where:
Base-Base interactions energy: -132.116
where: short stacking energy: -99.994
Base-Backbone interact. energy: -1.551
local terms energy: -275.933062
where:
bonds (distance) C4'-P energy: -79.259
bonds (distance) P-C4' energy: -99.797
flat angles C4'-P-C4' energy: -76.573
flat angles P-C4'-P energy: -52.985
tors. eta vs tors. theta energy: 32.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1931.152011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.152011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.152011 (E_RNA)
where:
Base-Base interactions energy: -1323.304
where: short stacking energy: -584.706
Base-Backbone interact. energy: -1.847
local terms energy: -606.000575
where:
bonds (distance) C4'-P energy: -113.980
bonds (distance) P-C4' energy: -111.501
flat angles C4'-P-C4' energy: -121.425
flat angles P-C4'-P energy: -86.634
tors. eta vs tors. theta energy: -172.461
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: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1836.769265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.769265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.769265 (E_RNA)
where:
Base-Base interactions energy: -1261.678
where: short stacking energy: -531.852
Base-Backbone interact. energy: -1.814
local terms energy: -573.276901
where:
bonds (distance) C4'-P energy: -105.395
bonds (distance) P-C4' energy: -108.393
flat angles C4'-P-C4' energy: -118.479
flat angles P-C4'-P energy: -82.089
tors. eta vs tors. theta energy: -158.921
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: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1799.910563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.910563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.910563 (E_RNA)
where:
Base-Base interactions energy: -1228.842
where: short stacking energy: -519.816
Base-Backbone interact. energy: -1.968
local terms energy: -569.100394
where:
bonds (distance) C4'-P energy: -100.430
bonds (distance) P-C4' energy: -104.611
flat angles C4'-P-C4' energy: -120.643
flat angles P-C4'-P energy: -79.237
tors. eta vs tors. theta energy: -164.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1646.606399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.606399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.606399 (E_RNA)
where:
Base-Base interactions energy: -1097.455
where: short stacking energy: -475.696
Base-Backbone interact. energy: -1.130
local terms energy: -548.021052
where:
bonds (distance) C4'-P energy: -105.174
bonds (distance) P-C4' energy: -119.381
flat angles C4'-P-C4' energy: -108.656
flat angles P-C4'-P energy: -73.452
tors. eta vs tors. theta energy: -141.357
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: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1583.743936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.743936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.743936 (E_RNA)
where:
Base-Base interactions energy: -1098.782
where: short stacking energy: -471.298
Base-Backbone interact. energy: 6.865
local terms energy: -491.826692
where:
bonds (distance) C4'-P energy: -92.491
bonds (distance) P-C4' energy: -96.249
flat angles C4'-P-C4' energy: -111.552
flat angles P-C4'-P energy: -61.951
tors. eta vs tors. theta energy: -129.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1508.190754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.190754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.190754 (E_RNA)
where:
Base-Base interactions energy: -1037.879
where: short stacking energy: -431.152
Base-Backbone interact. energy: 2.860
local terms energy: -473.171660
where:
bonds (distance) C4'-P energy: -94.246
bonds (distance) P-C4' energy: -94.683
flat angles C4'-P-C4' energy: -111.069
flat angles P-C4'-P energy: -49.653
tors. eta vs tors. theta energy: -123.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1374.367148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.367148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.367148 (E_RNA)
where:
Base-Base interactions energy: -919.190
where: short stacking energy: -390.620
Base-Backbone interact. energy: -2.934
local terms energy: -452.243034
where:
bonds (distance) C4'-P energy: -88.028
bonds (distance) P-C4' energy: -92.200
flat angles C4'-P-C4' energy: -109.505
flat angles P-C4'-P energy: -62.143
tors. eta vs tors. theta energy: -100.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1228.591598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.591598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.591598 (E_RNA)
where:
Base-Base interactions energy: -823.656
where: short stacking energy: -328.588
Base-Backbone interact. energy: -1.032
local terms energy: -403.903674
where:
bonds (distance) C4'-P energy: -88.896
bonds (distance) P-C4' energy: -101.208
flat angles C4'-P-C4' energy: -97.015
flat angles P-C4'-P energy: -54.438
tors. eta vs tors. theta energy: -62.346
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: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -792.830371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.830371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.830371 (E_RNA)
where:
Base-Base interactions energy: -461.777
where: short stacking energy: -209.222
Base-Backbone interact. energy: -2.011
local terms energy: -329.042337
where:
bonds (distance) C4'-P energy: -72.585
bonds (distance) P-C4' energy: -103.520
flat angles C4'-P-C4' energy: -77.734
flat angles P-C4'-P energy: -51.632
tors. eta vs tors. theta energy: -23.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -428.307560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.307560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.307560 (E_RNA)
where:
Base-Base interactions energy: -151.078
where: short stacking energy: -123.391
Base-Backbone interact. energy: -0.857
local terms energy: -276.372832
where:
bonds (distance) C4'-P energy: -88.386
bonds (distance) P-C4' energy: -88.151
flat angles C4'-P-C4' energy: -88.619
flat angles P-C4'-P energy: -38.751
tors. eta vs tors. theta energy: 27.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1946.955962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.955962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.955962 (E_RNA)
where:
Base-Base interactions energy: -1335.692
where: short stacking energy: -594.165
Base-Backbone interact. energy: -3.210
local terms energy: -608.054670
where:
bonds (distance) C4'-P energy: -119.042
bonds (distance) P-C4' energy: -107.085
flat angles C4'-P-C4' energy: -135.846
flat angles P-C4'-P energy: -72.537
tors. eta vs tors. theta energy: -173.545
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: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1866.758049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.758049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.758049 (E_RNA)
where:
Base-Base interactions energy: -1300.551
where: short stacking energy: -543.987
Base-Backbone interact. energy: -2.669
local terms energy: -563.538138
where:
bonds (distance) C4'-P energy: -93.603
bonds (distance) P-C4' energy: -96.081
flat angles C4'-P-C4' energy: -128.778
flat angles P-C4'-P energy: -78.301
tors. eta vs tors. theta energy: -166.774
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: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1791.750087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.750087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.750087 (E_RNA)
where:
Base-Base interactions energy: -1249.460
where: short stacking energy: -544.056
Base-Backbone interact. energy: -4.401
local terms energy: -537.889873
where:
bonds (distance) C4'-P energy: -91.881
bonds (distance) P-C4' energy: -89.735
flat angles C4'-P-C4' energy: -116.546
flat angles P-C4'-P energy: -83.265
tors. eta vs tors. theta energy: -156.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1676.707230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.707230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.707230 (E_RNA)
where:
Base-Base interactions energy: -1132.941
where: short stacking energy: -490.327
Base-Backbone interact. energy: 0.046
local terms energy: -543.812647
where:
bonds (distance) C4'-P energy: -105.909
bonds (distance) P-C4' energy: -93.899
flat angles C4'-P-C4' energy: -127.545
flat angles P-C4'-P energy: -72.792
tors. eta vs tors. theta energy: -143.668
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: 328
Temperature: 1.100000
Total energy: -1564.327640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.327640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.327640 (E_RNA)
where:
Base-Base interactions energy: -1059.696
where: short stacking energy: -461.006
Base-Backbone interact. energy: -2.833
local terms energy: -501.797998
where:
bonds (distance) C4'-P energy: -89.711
bonds (distance) P-C4' energy: -93.751
flat angles C4'-P-C4' energy: -112.538
flat angles P-C4'-P energy: -78.284
tors. eta vs tors. theta energy: -127.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1528.811264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.811264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.811264 (E_RNA)
where:
Base-Base interactions energy: -1055.938
where: short stacking energy: -449.208
Base-Backbone interact. energy: -0.920
local terms energy: -471.954020
where:
bonds (distance) C4'-P energy: -82.157
bonds (distance) P-C4' energy: -97.282
flat angles C4'-P-C4' energy: -103.013
flat angles P-C4'-P energy: -60.502
tors. eta vs tors. theta energy: -129.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1376.231747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.231747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.231747 (E_RNA)
where:
Base-Base interactions energy: -936.878
where: short stacking energy: -390.767
Base-Backbone interact. energy: -1.747
local terms energy: -437.606277
where:
bonds (distance) C4'-P energy: -99.068
bonds (distance) P-C4' energy: -98.208
flat angles C4'-P-C4' energy: -85.362
flat angles P-C4'-P energy: -57.138
tors. eta vs tors. theta energy: -97.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1251.862019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.862019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.862019 (E_RNA)
where:
Base-Base interactions energy: -834.906
where: short stacking energy: -345.927
Base-Backbone interact. energy: -1.239
local terms energy: -415.716989
where:
bonds (distance) C4'-P energy: -81.895
bonds (distance) P-C4' energy: -98.994
flat angles C4'-P-C4' energy: -102.584
flat angles P-C4'-P energy: -67.227
tors. eta vs tors. theta energy: -65.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -837.814916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.814916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.814916 (E_RNA)
where:
Base-Base interactions energy: -493.071
where: short stacking energy: -249.711
Base-Backbone interact. energy: 1.146
local terms energy: -345.889847
where:
bonds (distance) C4'-P energy: -77.622
bonds (distance) P-C4' energy: -85.523
flat angles C4'-P-C4' energy: -82.206
flat angles P-C4'-P energy: -60.638
tors. eta vs tors. theta energy: -39.901
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: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -456.670919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.670919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.670919 (E_RNA)
where:
Base-Base interactions energy: -154.863
where: short stacking energy: -140.146
Base-Backbone interact. energy: 0.948
local terms energy: -302.756024
where:
bonds (distance) C4'-P energy: -83.934
bonds (distance) P-C4' energy: -103.626
flat angles C4'-P-C4' energy: -77.370
flat angles P-C4'-P energy: -35.568
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1950.371399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.371399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.371399 (E_RNA)
where:
Base-Base interactions energy: -1359.595
where: short stacking energy: -574.695
Base-Backbone interact. energy: -1.047
local terms energy: -589.729463
where:
bonds (distance) C4'-P energy: -108.684
bonds (distance) P-C4' energy: -110.598
flat angles C4'-P-C4' energy: -122.211
flat angles P-C4'-P energy: -68.905
tors. eta vs tors. theta energy: -179.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1854.365534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.365534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.365534 (E_RNA)
where:
Base-Base interactions energy: -1266.513
where: short stacking energy: -543.330
Base-Backbone interact. energy: -4.896
local terms energy: -582.955854
where:
bonds (distance) C4'-P energy: -106.266
bonds (distance) P-C4' energy: -104.097
flat angles C4'-P-C4' energy: -120.370
flat angles P-C4'-P energy: -86.827
tors. eta vs tors. theta energy: -165.396
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: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1823.242110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.242110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.242110 (E_RNA)
where:
Base-Base interactions energy: -1267.121
where: short stacking energy: -530.894
Base-Backbone interact. energy: -1.107
local terms energy: -555.013678
where:
bonds (distance) C4'-P energy: -107.766
bonds (distance) P-C4' energy: -100.659
flat angles C4'-P-C4' energy: -111.380
flat angles P-C4'-P energy: -75.117
tors. eta vs tors. theta energy: -160.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1653.465822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.465822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.465822 (E_RNA)
where:
Base-Base interactions energy: -1134.354
where: short stacking energy: -499.091
Base-Backbone interact. energy: 0.465
local terms energy: -519.577296
where:
bonds (distance) C4'-P energy: -98.217
bonds (distance) P-C4' energy: -101.620
flat angles C4'-P-C4' energy: -113.415
flat angles P-C4'-P energy: -77.008
tors. eta vs tors. theta energy: -129.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1604.463610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.463610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.463610 (E_RNA)
where:
Base-Base interactions energy: -1074.433
where: short stacking energy: -464.799
Base-Backbone interact. energy: -1.144
local terms energy: -528.886553
where:
bonds (distance) C4'-P energy: -108.910
bonds (distance) P-C4' energy: -104.428
flat angles C4'-P-C4' energy: -114.646
flat angles P-C4'-P energy: -69.834
tors. eta vs tors. theta energy: -131.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1473.215163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.215163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.215163 (E_RNA)
where:
Base-Base interactions energy: -1028.847
where: short stacking energy: -438.991
Base-Backbone interact. energy: -1.311
local terms energy: -443.057605
where:
bonds (distance) C4'-P energy: -85.004
bonds (distance) P-C4' energy: -76.232
flat angles C4'-P-C4' energy: -108.620
flat angles P-C4'-P energy: -65.591
tors. eta vs tors. theta energy: -107.611
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: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1421.456600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.456600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.456600 (E_RNA)
where:
Base-Base interactions energy: -955.787
where: short stacking energy: -444.179
Base-Backbone interact. energy: 1.897
local terms energy: -467.566787
where:
bonds (distance) C4'-P energy: -97.601
bonds (distance) P-C4' energy: -92.435
flat angles C4'-P-C4' energy: -96.493
flat angles P-C4'-P energy: -49.174
tors. eta vs tors. theta energy: -131.864
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: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1269.342548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.342548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.342548 (E_RNA)
where:
Base-Base interactions energy: -849.986
where: short stacking energy: -364.992
Base-Backbone interact. energy: -0.637
local terms energy: -418.719967
where:
bonds (distance) C4'-P energy: -89.824
bonds (distance) P-C4' energy: -102.164
flat angles C4'-P-C4' energy: -80.516
flat angles P-C4'-P energy: -53.545
tors. eta vs tors. theta energy: -92.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -792.043633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.043633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.043633 (E_RNA)
where:
Base-Base interactions energy: -448.072
where: short stacking energy: -216.809
Base-Backbone interact. energy: -4.480
local terms energy: -339.491143
where:
bonds (distance) C4'-P energy: -86.184
bonds (distance) P-C4' energy: -97.234
flat angles C4'-P-C4' energy: -86.634
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: -36.022
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: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -444.559361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.559361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.559361 (E_RNA)
where:
Base-Base interactions energy: -149.687
where: short stacking energy: -128.984
Base-Backbone interact. energy: -0.257
local terms energy: -294.615933
where:
bonds (distance) C4'-P energy: -86.820
bonds (distance) P-C4' energy: -85.468
flat angles C4'-P-C4' energy: -83.888
flat angles P-C4'-P energy: -61.498
tors. eta vs tors. theta energy: 23.059
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: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1926.584091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.584091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.584091 (E_RNA)
where:
Base-Base interactions energy: -1335.091
where: short stacking energy: -567.498
Base-Backbone interact. energy: -2.746
local terms energy: -588.747425
where:
bonds (distance) C4'-P energy: -104.280
bonds (distance) P-C4' energy: -105.430
flat angles C4'-P-C4' energy: -128.675
flat angles P-C4'-P energy: -82.679
tors. eta vs tors. theta energy: -167.682
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: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1869.505216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.505216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.505216 (E_RNA)
where:
Base-Base interactions energy: -1289.431
where: short stacking energy: -558.514
Base-Backbone interact. energy: 2.337
local terms energy: -582.411226
where:
bonds (distance) C4'-P energy: -104.933
bonds (distance) P-C4' energy: -110.959
flat angles C4'-P-C4' energy: -117.367
flat angles P-C4'-P energy: -82.950
tors. eta vs tors. theta energy: -166.203
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: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1822.793209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.793209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.793209 (E_RNA)
where:
Base-Base interactions energy: -1258.049
where: short stacking energy: -551.233
Base-Backbone interact. energy: -2.946
local terms energy: -561.798131
where:
bonds (distance) C4'-P energy: -90.002
bonds (distance) P-C4' energy: -105.178
flat angles C4'-P-C4' energy: -115.603
flat angles P-C4'-P energy: -81.301
tors. eta vs tors. theta energy: -169.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1633.272297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.272297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.272297 (E_RNA)
where:
Base-Base interactions energy: -1096.465
where: short stacking energy: -497.572
Base-Backbone interact. energy: -0.081
local terms energy: -536.726383
where:
bonds (distance) C4'-P energy: -93.543
bonds (distance) P-C4' energy: -110.761
flat angles C4'-P-C4' energy: -108.994
flat angles P-C4'-P energy: -91.333
tors. eta vs tors. theta energy: -132.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1615.484621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.484621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.484621 (E_RNA)
where:
Base-Base interactions energy: -1065.192
where: short stacking energy: -447.316
Base-Backbone interact. energy: -1.780
local terms energy: -548.512871
where:
bonds (distance) C4'-P energy: -108.649
bonds (distance) P-C4' energy: -106.967
flat angles C4'-P-C4' energy: -114.780
flat angles P-C4'-P energy: -82.675
tors. eta vs tors. theta energy: -135.442
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: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1475.953530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.953530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.953530 (E_RNA)
where:
Base-Base interactions energy: -1008.944
where: short stacking energy: -425.462
Base-Backbone interact. energy: -1.446
local terms energy: -465.563107
where:
bonds (distance) C4'-P energy: -77.795
bonds (distance) P-C4' energy: -94.263
flat angles C4'-P-C4' energy: -111.671
flat angles P-C4'-P energy: -62.340
tors. eta vs tors. theta energy: -119.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1434.763474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.763474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.763474 (E_RNA)
where:
Base-Base interactions energy: -976.711
where: short stacking energy: -410.237
Base-Backbone interact. energy: 3.206
local terms energy: -461.258390
where:
bonds (distance) C4'-P energy: -84.181
bonds (distance) P-C4' energy: -89.204
flat angles C4'-P-C4' energy: -101.901
flat angles P-C4'-P energy: -74.349
tors. eta vs tors. theta energy: -111.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1292.298947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.298947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.298947 (E_RNA)
where:
Base-Base interactions energy: -864.505
where: short stacking energy: -359.094
Base-Backbone interact. energy: -0.512
local terms energy: -427.281981
where:
bonds (distance) C4'-P energy: -82.293
bonds (distance) P-C4' energy: -96.684
flat angles C4'-P-C4' energy: -104.221
flat angles P-C4'-P energy: -61.922
tors. eta vs tors. theta energy: -82.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -856.101041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.101041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.101041 (E_RNA)
where:
Base-Base interactions energy: -500.603
where: short stacking energy: -262.164
Base-Backbone interact. energy: 6.186
local terms energy: -361.684485
where:
bonds (distance) C4'-P energy: -84.426
bonds (distance) P-C4' energy: -108.208
flat angles C4'-P-C4' energy: -88.160
flat angles P-C4'-P energy: -44.408
tors. eta vs tors. theta energy: -36.482
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: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -450.397416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.397416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.397416 (E_RNA)
where:
Base-Base interactions energy: -127.570
where: short stacking energy: -104.120
Base-Backbone interact. energy: 2.853
local terms energy: -325.679891
where:
bonds (distance) C4'-P energy: -107.681
bonds (distance) P-C4' energy: -108.024
flat angles C4'-P-C4' energy: -80.795
flat angles P-C4'-P energy: -43.307
tors. eta vs tors. theta energy: 14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1928.268409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.268409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.268409 (E_RNA)
where:
Base-Base interactions energy: -1328.041
where: short stacking energy: -566.117
Base-Backbone interact. energy: -2.980
local terms energy: -597.247119
where:
bonds (distance) C4'-P energy: -100.679
bonds (distance) P-C4' energy: -114.725
flat angles C4'-P-C4' energy: -126.605
flat angles P-C4'-P energy: -82.876
tors. eta vs tors. theta energy: -172.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1862.134680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.134680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.134680 (E_RNA)
where:
Base-Base interactions energy: -1286.078
where: short stacking energy: -558.396
Base-Backbone interact. energy: -2.355
local terms energy: -573.701065
where:
bonds (distance) C4'-P energy: -99.820
bonds (distance) P-C4' energy: -107.508
flat angles C4'-P-C4' energy: -117.718
flat angles P-C4'-P energy: -79.262
tors. eta vs tors. theta energy: -169.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1825.913108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.913108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.913108 (E_RNA)
where:
Base-Base interactions energy: -1254.317
where: short stacking energy: -521.571
Base-Backbone interact. energy: -2.563
local terms energy: -569.033069
where:
bonds (distance) C4'-P energy: -108.424
bonds (distance) P-C4' energy: -101.048
flat angles C4'-P-C4' energy: -121.530
flat angles P-C4'-P energy: -77.389
tors. eta vs tors. theta energy: -160.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1646.747600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.747600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.747600 (E_RNA)
where:
Base-Base interactions energy: -1124.243
where: short stacking energy: -489.715
Base-Backbone interact. energy: -1.320
local terms energy: -521.185019
where:
bonds (distance) C4'-P energy: -98.008
bonds (distance) P-C4' energy: -98.887
flat angles C4'-P-C4' energy: -114.394
flat angles P-C4'-P energy: -70.356
tors. eta vs tors. theta energy: -139.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1587.593927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.593927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.593927 (E_RNA)
where:
Base-Base interactions energy: -1093.550
where: short stacking energy: -470.265
Base-Backbone interact. energy: -0.924
local terms energy: -493.120121
where:
bonds (distance) C4'-P energy: -98.833
bonds (distance) P-C4' energy: -98.393
flat angles C4'-P-C4' energy: -108.977
flat angles P-C4'-P energy: -55.801
tors. eta vs tors. theta energy: -131.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1510.113030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.113030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.113030 (E_RNA)
where:
Base-Base interactions energy: -1006.720
where: short stacking energy: -435.443
Base-Backbone interact. energy: -2.109
local terms energy: -501.283791
where:
bonds (distance) C4'-P energy: -97.625
bonds (distance) P-C4' energy: -100.977
flat angles C4'-P-C4' energy: -109.833
flat angles P-C4'-P energy: -71.413
tors. eta vs tors. theta energy: -121.437
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: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1423.647277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.647277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.647277 (E_RNA)
where:
Base-Base interactions energy: -949.632
where: short stacking energy: -411.830
Base-Backbone interact. energy: 2.573
local terms energy: -476.588424
where:
bonds (distance) C4'-P energy: -96.427
bonds (distance) P-C4' energy: -112.583
flat angles C4'-P-C4' energy: -100.502
flat angles P-C4'-P energy: -65.974
tors. eta vs tors. theta energy: -101.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1242.773020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.773020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.773020 (E_RNA)
where:
Base-Base interactions energy: -817.234
where: short stacking energy: -370.189
Base-Backbone interact. energy: 1.640
local terms energy: -427.178865
where:
bonds (distance) C4'-P energy: -91.122
bonds (distance) P-C4' energy: -89.478
flat angles C4'-P-C4' energy: -97.863
flat angles P-C4'-P energy: -58.747
tors. eta vs tors. theta energy: -89.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -839.854853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.854853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.854853 (E_RNA)
where:
Base-Base interactions energy: -499.205
where: short stacking energy: -222.787
Base-Backbone interact. energy: -3.759
local terms energy: -336.891223
where:
bonds (distance) C4'-P energy: -77.630
bonds (distance) P-C4' energy: -94.249
flat angles C4'-P-C4' energy: -82.835
flat angles P-C4'-P energy: -60.344
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -451.721944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.721944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.721944 (E_RNA)
where:
Base-Base interactions energy: -181.200
where: short stacking energy: -129.166
Base-Backbone interact. energy: -2.169
local terms energy: -268.353290
where:
bonds (distance) C4'-P energy: -85.005
bonds (distance) P-C4' energy: -84.730
flat angles C4'-P-C4' energy: -78.728
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: 8.544
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: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1936.354699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.354699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.354699 (E_RNA)
where:
Base-Base interactions energy: -1324.045
where: short stacking energy: -567.290
Base-Backbone interact. energy: -0.417
local terms energy: -611.892211
where:
bonds (distance) C4'-P energy: -108.983
bonds (distance) P-C4' energy: -103.658
flat angles C4'-P-C4' energy: -126.081
flat angles P-C4'-P energy: -93.600
tors. eta vs tors. theta energy: -179.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1870.048683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.048683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.048683 (E_RNA)
where:
Base-Base interactions energy: -1293.015
where: short stacking energy: -542.883
Base-Backbone interact. energy: -1.831
local terms energy: -575.202990
where:
bonds (distance) C4'-P energy: -111.698
bonds (distance) P-C4' energy: -96.389
flat angles C4'-P-C4' energy: -117.048
flat angles P-C4'-P energy: -88.258
tors. eta vs tors. theta energy: -161.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1804.731089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.731089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.731089 (E_RNA)
where:
Base-Base interactions energy: -1247.850
where: short stacking energy: -528.016
Base-Backbone interact. energy: -3.332
local terms energy: -553.548533
where:
bonds (distance) C4'-P energy: -101.072
bonds (distance) P-C4' energy: -101.862
flat angles C4'-P-C4' energy: -115.123
flat angles P-C4'-P energy: -85.948
tors. eta vs tors. theta energy: -149.544
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: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1655.604062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.604062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.604062 (E_RNA)
where:
Base-Base interactions energy: -1133.010
where: short stacking energy: -508.636
Base-Backbone interact. energy: -2.212
local terms energy: -520.381997
where:
bonds (distance) C4'-P energy: -107.127
bonds (distance) P-C4' energy: -91.220
flat angles C4'-P-C4' energy: -113.917
flat angles P-C4'-P energy: -65.492
tors. eta vs tors. theta energy: -142.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1578.661257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.661257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.661257 (E_RNA)
where:
Base-Base interactions energy: -1086.357
where: short stacking energy: -478.165
Base-Backbone interact. energy: -1.999
local terms energy: -490.304868
where:
bonds (distance) C4'-P energy: -89.817
bonds (distance) P-C4' energy: -87.682
flat angles C4'-P-C4' energy: -105.618
flat angles P-C4'-P energy: -78.559
tors. eta vs tors. theta energy: -128.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1553.075448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.075448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.075448 (E_RNA)
where:
Base-Base interactions energy: -1074.280
where: short stacking energy: -472.751
Base-Backbone interact. energy: -1.113
local terms energy: -477.682478
where:
bonds (distance) C4'-P energy: -98.075
bonds (distance) P-C4' energy: -100.536
flat angles C4'-P-C4' energy: -101.268
flat angles P-C4'-P energy: -45.687
tors. eta vs tors. theta energy: -132.117
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: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1406.472585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.472585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.472585 (E_RNA)
where:
Base-Base interactions energy: -947.396
where: short stacking energy: -394.433
Base-Backbone interact. energy: 3.313
local terms energy: -462.389627
where:
bonds (distance) C4'-P energy: -108.861
bonds (distance) P-C4' energy: -92.946
flat angles C4'-P-C4' energy: -106.676
flat angles P-C4'-P energy: -60.141
tors. eta vs tors. theta energy: -93.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1278.998570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.998570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.998570 (E_RNA)
where:
Base-Base interactions energy: -875.639
where: short stacking energy: -363.347
Base-Backbone interact. energy: -1.562
local terms energy: -401.797300
where:
bonds (distance) C4'-P energy: -72.846
bonds (distance) P-C4' energy: -89.182
flat angles C4'-P-C4' energy: -93.075
flat angles P-C4'-P energy: -59.425
tors. eta vs tors. theta energy: -87.270
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: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -769.430607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.430607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.430607 (E_RNA)
where:
Base-Base interactions energy: -451.744
where: short stacking energy: -215.901
Base-Backbone interact. energy: 2.657
local terms energy: -320.343093
where:
bonds (distance) C4'-P energy: -76.116
bonds (distance) P-C4' energy: -91.084
flat angles C4'-P-C4' energy: -95.838
flat angles P-C4'-P energy: -44.968
tors. eta vs tors. theta energy: -12.338
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: 10, replica: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -472.817381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.817381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.817381 (E_RNA)
where:
Base-Base interactions energy: -172.575
where: short stacking energy: -119.313
Base-Backbone interact. energy: 3.116
local terms energy: -303.357686
where:
bonds (distance) C4'-P energy: -74.947
bonds (distance) P-C4' energy: -95.098
flat angles C4'-P-C4' energy: -78.012
flat angles P-C4'-P energy: -61.199
tors. eta vs tors. theta energy: 5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1927.687665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.687665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.687665 (E_RNA)
where:
Base-Base interactions energy: -1330.110
where: short stacking energy: -586.388
Base-Backbone interact. energy: -2.712
local terms energy: -594.865881
where:
bonds (distance) C4'-P energy: -118.753
bonds (distance) P-C4' energy: -117.655
flat angles C4'-P-C4' energy: -121.866
flat angles P-C4'-P energy: -67.650
tors. eta vs tors. theta energy: -168.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1853.038020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.038020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.038020 (E_RNA)
where:
Base-Base interactions energy: -1255.844
where: short stacking energy: -546.370
Base-Backbone interact. energy: -0.667
local terms energy: -596.527053
where:
bonds (distance) C4'-P energy: -112.090
bonds (distance) P-C4' energy: -106.663
flat angles C4'-P-C4' energy: -127.181
flat angles P-C4'-P energy: -82.822
tors. eta vs tors. theta energy: -167.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1801.181993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.181993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.181993 (E_RNA)
where:
Base-Base interactions energy: -1206.485
where: short stacking energy: -534.419
Base-Backbone interact. energy: -2.828
local terms energy: -591.868408
where:
bonds (distance) C4'-P energy: -115.623
bonds (distance) P-C4' energy: -103.093
flat angles C4'-P-C4' energy: -120.547
flat angles P-C4'-P energy: -85.674
tors. eta vs tors. theta energy: -166.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1647.133889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.133889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.133889 (E_RNA)
where:
Base-Base interactions energy: -1115.936
where: short stacking energy: -493.961
Base-Backbone interact. energy: -0.204
local terms energy: -530.993075
where:
bonds (distance) C4'-P energy: -111.329
bonds (distance) P-C4' energy: -95.656
flat angles C4'-P-C4' energy: -115.228
flat angles P-C4'-P energy: -77.809
tors. eta vs tors. theta energy: -130.971
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: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1552.939763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.939763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.939763 (E_RNA)
where:
Base-Base interactions energy: -1061.891
where: short stacking energy: -457.827
Base-Backbone interact. energy: 6.880
local terms energy: -497.928413
where:
bonds (distance) C4'-P energy: -85.991
bonds (distance) P-C4' energy: -100.297
flat angles C4'-P-C4' energy: -110.893
flat angles P-C4'-P energy: -71.453
tors. eta vs tors. theta energy: -129.294
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: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1508.316216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.316216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.316216 (E_RNA)
where:
Base-Base interactions energy: -1017.211
where: short stacking energy: -448.339
Base-Backbone interact. energy: 0.895
local terms energy: -492.000266
where:
bonds (distance) C4'-P energy: -95.290
bonds (distance) P-C4' energy: -97.088
flat angles C4'-P-C4' energy: -110.858
flat angles P-C4'-P energy: -66.761
tors. eta vs tors. theta energy: -122.003
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: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1415.243373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.243373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.243373 (E_RNA)
where:
Base-Base interactions energy: -976.588
where: short stacking energy: -410.335
Base-Backbone interact. energy: -2.253
local terms energy: -436.402197
where:
bonds (distance) C4'-P energy: -70.734
bonds (distance) P-C4' energy: -112.361
flat angles C4'-P-C4' energy: -104.066
flat angles P-C4'-P energy: -54.182
tors. eta vs tors. theta energy: -95.060
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: 8, replica: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1281.583693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.583693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.583693 (E_RNA)
where:
Base-Base interactions energy: -877.255
where: short stacking energy: -391.239
Base-Backbone interact. energy: -0.732
local terms energy: -403.596282
where:
bonds (distance) C4'-P energy: -87.170
bonds (distance) P-C4' energy: -89.738
flat angles C4'-P-C4' energy: -96.494
flat angles P-C4'-P energy: -45.993
tors. eta vs tors. theta energy: -84.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -782.602687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.602687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.602687 (E_RNA)
where:
Base-Base interactions energy: -427.446
where: short stacking energy: -214.498
Base-Backbone interact. energy: -1.372
local terms energy: -353.785032
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -89.931
flat angles C4'-P-C4' energy: -83.747
flat angles P-C4'-P energy: -53.761
tors. eta vs tors. theta energy: -32.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -476.426142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.426142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.426142 (E_RNA)
where:
Base-Base interactions energy: -201.592
where: short stacking energy: -114.352
Base-Backbone interact. energy: -2.064
local terms energy: -272.770453
where:
bonds (distance) C4'-P energy: -89.051
bonds (distance) P-C4' energy: -102.752
flat angles C4'-P-C4' energy: -76.160
flat angles P-C4'-P energy: -29.846
tors. eta vs tors. theta energy: 25.038
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: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1923.897563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.897563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.897563 (E_RNA)
where:
Base-Base interactions energy: -1328.423
where: short stacking energy: -554.362
Base-Backbone interact. energy: -1.327
local terms energy: -594.147202
where:
bonds (distance) C4'-P energy: -110.949
bonds (distance) P-C4' energy: -103.258
flat angles C4'-P-C4' energy: -115.789
flat angles P-C4'-P energy: -95.676
tors. eta vs tors. theta energy: -168.475
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: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1822.236947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.236947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.236947 (E_RNA)
where:
Base-Base interactions energy: -1238.058
where: short stacking energy: -547.128
Base-Backbone interact. energy: -1.879
local terms energy: -582.300259
where:
bonds (distance) C4'-P energy: -111.672
bonds (distance) P-C4' energy: -120.877
flat angles C4'-P-C4' energy: -122.036
flat angles P-C4'-P energy: -75.720
tors. eta vs tors. theta energy: -151.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1823.718900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.718900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.718900 (E_RNA)
where:
Base-Base interactions energy: -1238.937
where: short stacking energy: -542.179
Base-Backbone interact. energy: -5.192
local terms energy: -579.589391
where:
bonds (distance) C4'-P energy: -108.341
bonds (distance) P-C4' energy: -97.414
flat angles C4'-P-C4' energy: -122.466
flat angles P-C4'-P energy: -81.243
tors. eta vs tors. theta energy: -170.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1642.968890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.968890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.968890 (E_RNA)
where:
Base-Base interactions energy: -1116.005
where: short stacking energy: -508.835
Base-Backbone interact. energy: -0.382
local terms energy: -526.581499
where:
bonds (distance) C4'-P energy: -101.382
bonds (distance) P-C4' energy: -104.042
flat angles C4'-P-C4' energy: -111.448
flat angles P-C4'-P energy: -70.896
tors. eta vs tors. theta energy: -138.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1504.449632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.449632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.449632 (E_RNA)
where:
Base-Base interactions energy: -1014.376
where: short stacking energy: -448.930
Base-Backbone interact. energy: -2.380
local terms energy: -487.692958
where:
bonds (distance) C4'-P energy: -106.244
bonds (distance) P-C4' energy: -97.823
flat angles C4'-P-C4' energy: -93.868
flat angles P-C4'-P energy: -73.160
tors. eta vs tors. theta energy: -116.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1612.697106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.697106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.697106 (E_RNA)
where:
Base-Base interactions energy: -1104.203
where: short stacking energy: -479.049
Base-Backbone interact. energy: -3.523
local terms energy: -504.971843
where:
bonds (distance) C4'-P energy: -96.063
bonds (distance) P-C4' energy: -103.075
flat angles C4'-P-C4' energy: -111.837
flat angles P-C4'-P energy: -69.746
tors. eta vs tors. theta energy: -124.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1388.428749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.428749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.428749 (E_RNA)
where:
Base-Base interactions energy: -970.416
where: short stacking energy: -377.978
Base-Backbone interact. energy: 6.516
local terms energy: -424.529093
where:
bonds (distance) C4'-P energy: -77.421
bonds (distance) P-C4' energy: -96.519
flat angles C4'-P-C4' energy: -88.175
flat angles P-C4'-P energy: -60.257
tors. eta vs tors. theta energy: -102.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1252.196403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.196403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.196403 (E_RNA)
where:
Base-Base interactions energy: -840.498
where: short stacking energy: -378.064
Base-Backbone interact. energy: 1.033
local terms energy: -412.731932
where:
bonds (distance) C4'-P energy: -83.287
bonds (distance) P-C4' energy: -76.222
flat angles C4'-P-C4' energy: -97.781
flat angles P-C4'-P energy: -62.383
tors. eta vs tors. theta energy: -93.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -867.730195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.730195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.730195 (E_RNA)
where:
Base-Base interactions energy: -491.136
where: short stacking energy: -254.292
Base-Backbone interact. energy: 1.820
local terms energy: -378.413980
where:
bonds (distance) C4'-P energy: -85.713
bonds (distance) P-C4' energy: -103.372
flat angles C4'-P-C4' energy: -93.101
flat angles P-C4'-P energy: -56.519
tors. eta vs tors. theta energy: -39.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -420.208340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.208340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.208340 (E_RNA)
where:
Base-Base interactions energy: -146.912
where: short stacking energy: -113.373
Base-Backbone interact. energy: 6.084
local terms energy: -279.380295
where:
bonds (distance) C4'-P energy: -83.299
bonds (distance) P-C4' energy: -86.320
flat angles C4'-P-C4' energy: -78.865
flat angles P-C4'-P energy: -48.531
tors. eta vs tors. theta energy: 17.635
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: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1933.538982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.538982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.538982 (E_RNA)
where:
Base-Base interactions energy: -1346.491
where: short stacking energy: -571.824
Base-Backbone interact. energy: -1.153
local terms energy: -585.895346
where:
bonds (distance) C4'-P energy: -100.943
bonds (distance) P-C4' energy: -118.528
flat angles C4'-P-C4' energy: -123.725
flat angles P-C4'-P energy: -76.190
tors. eta vs tors. theta energy: -166.509
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: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1810.844320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.844320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.844320 (E_RNA)
where:
Base-Base interactions energy: -1236.322
where: short stacking energy: -512.846
Base-Backbone interact. energy: -0.984
local terms energy: -573.537942
where:
bonds (distance) C4'-P energy: -114.027
bonds (distance) P-C4' energy: -108.707
flat angles C4'-P-C4' energy: -118.069
flat angles P-C4'-P energy: -78.152
tors. eta vs tors. theta energy: -154.582
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: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1778.366312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.366312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.366312 (E_RNA)
where:
Base-Base interactions energy: -1221.533
where: short stacking energy: -526.002
Base-Backbone interact. energy: -4.349
local terms energy: -552.484703
where:
bonds (distance) C4'-P energy: -103.319
bonds (distance) P-C4' energy: -92.316
flat angles C4'-P-C4' energy: -129.064
flat angles P-C4'-P energy: -78.111
tors. eta vs tors. theta energy: -149.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1680.666837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.666837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.666837 (E_RNA)
where:
Base-Base interactions energy: -1128.820
where: short stacking energy: -494.506
Base-Backbone interact. energy: -2.949
local terms energy: -548.897960
where:
bonds (distance) C4'-P energy: -102.302
bonds (distance) P-C4' energy: -88.817
flat angles C4'-P-C4' energy: -123.008
flat angles P-C4'-P energy: -91.410
tors. eta vs tors. theta energy: -143.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1534.314790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.314790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.314790 (E_RNA)
where:
Base-Base interactions energy: -1030.711
where: short stacking energy: -448.059
Base-Backbone interact. energy: -1.339
local terms energy: -502.264751
where:
bonds (distance) C4'-P energy: -97.530
bonds (distance) P-C4' energy: -91.558
flat angles C4'-P-C4' energy: -117.285
flat angles P-C4'-P energy: -74.367
tors. eta vs tors. theta energy: -121.525
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: 335
Temperature: 1.150000
Total energy: -1569.111245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.111245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.111245 (E_RNA)
where:
Base-Base interactions energy: -1066.747
where: short stacking energy: -433.901
Base-Backbone interact. energy: 5.831
local terms energy: -508.195580
where:
bonds (distance) C4'-P energy: -89.085
bonds (distance) P-C4' energy: -100.755
flat angles C4'-P-C4' energy: -117.886
flat angles P-C4'-P energy: -83.111
tors. eta vs tors. theta energy: -117.358
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: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1428.190281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.190281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.190281 (E_RNA)
where:
Base-Base interactions energy: -997.445
where: short stacking energy: -392.478
Base-Backbone interact. energy: -3.330
local terms energy: -427.414892
where:
bonds (distance) C4'-P energy: -93.119
bonds (distance) P-C4' energy: -75.280
flat angles C4'-P-C4' energy: -84.780
flat angles P-C4'-P energy: -67.730
tors. eta vs tors. theta energy: -106.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1241.808640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.808640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.808640 (E_RNA)
where:
Base-Base interactions energy: -804.718
where: short stacking energy: -339.740
Base-Backbone interact. energy: -2.083
local terms energy: -435.007871
where:
bonds (distance) C4'-P energy: -99.712
bonds (distance) P-C4' energy: -98.889
flat angles C4'-P-C4' energy: -84.647
flat angles P-C4'-P energy: -72.360
tors. eta vs tors. theta energy: -79.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -808.787107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.787107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.787107 (E_RNA)
where:
Base-Base interactions energy: -448.641
where: short stacking energy: -226.885
Base-Backbone interact. energy: -1.782
local terms energy: -358.364389
where:
bonds (distance) C4'-P energy: -76.044
bonds (distance) P-C4' energy: -109.169
flat angles C4'-P-C4' energy: -83.938
flat angles P-C4'-P energy: -55.476
tors. eta vs tors. theta energy: -33.737
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: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -434.556828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.556828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.556828 (E_RNA)
where:
Base-Base interactions energy: -143.350
where: short stacking energy: -124.303
Base-Backbone interact. energy: -0.288
local terms energy: -290.918599
where:
bonds (distance) C4'-P energy: -99.196
bonds (distance) P-C4' energy: -73.599
flat angles C4'-P-C4' energy: -84.852
flat angles P-C4'-P energy: -47.197
tors. eta vs tors. theta energy: 13.926
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: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1920.881283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.881283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.881283 (E_RNA)
where:
Base-Base interactions energy: -1314.463
where: short stacking energy: -558.673
Base-Backbone interact. energy: -3.530
local terms energy: -602.887991
where:
bonds (distance) C4'-P energy: -104.126
bonds (distance) P-C4' energy: -109.278
flat angles C4'-P-C4' energy: -124.427
flat angles P-C4'-P energy: -94.590
tors. eta vs tors. theta energy: -170.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1838.886538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.886538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.886538 (E_RNA)
where:
Base-Base interactions energy: -1273.662
where: short stacking energy: -556.170
Base-Backbone interact. energy: -3.238
local terms energy: -561.985973
where:
bonds (distance) C4'-P energy: -96.390
bonds (distance) P-C4' energy: -106.498
flat angles C4'-P-C4' energy: -127.538
flat angles P-C4'-P energy: -74.398
tors. eta vs tors. theta energy: -157.162
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: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1756.663717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.663717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.663717 (E_RNA)
where:
Base-Base interactions energy: -1227.290
where: short stacking energy: -530.531
Base-Backbone interact. energy: -1.043
local terms energy: -528.330830
where:
bonds (distance) C4'-P energy: -89.626
bonds (distance) P-C4' energy: -95.815
flat angles C4'-P-C4' energy: -122.884
flat angles P-C4'-P energy: -64.304
tors. eta vs tors. theta energy: -155.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1615.597048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.597048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.597048 (E_RNA)
where:
Base-Base interactions energy: -1086.663
where: short stacking energy: -481.360
Base-Backbone interact. energy: -0.316
local terms energy: -528.617798
where:
bonds (distance) C4'-P energy: -87.607
bonds (distance) P-C4' energy: -111.098
flat angles C4'-P-C4' energy: -111.980
flat angles P-C4'-P energy: -82.009
tors. eta vs tors. theta energy: -135.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1604.344096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.344096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.344096 (E_RNA)
where:
Base-Base interactions energy: -1078.648
where: short stacking energy: -449.694
Base-Backbone interact. energy: -3.372
local terms energy: -522.324181
where:
bonds (distance) C4'-P energy: -104.919
bonds (distance) P-C4' energy: -96.588
flat angles C4'-P-C4' energy: -118.444
flat angles P-C4'-P energy: -71.119
tors. eta vs tors. theta energy: -131.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1508.804078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.804078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.804078 (E_RNA)
where:
Base-Base interactions energy: -1025.804
where: short stacking energy: -439.073
Base-Backbone interact. energy: -1.987
local terms energy: -481.012464
where:
bonds (distance) C4'-P energy: -95.803
bonds (distance) P-C4' energy: -90.213
flat angles C4'-P-C4' energy: -106.116
flat angles P-C4'-P energy: -67.917
tors. eta vs tors. theta energy: -120.963
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: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1450.652522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.652522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.652522 (E_RNA)
where:
Base-Base interactions energy: -968.703
where: short stacking energy: -422.363
Base-Backbone interact. energy: -2.043
local terms energy: -479.906157
where:
bonds (distance) C4'-P energy: -103.874
bonds (distance) P-C4' energy: -97.294
flat angles C4'-P-C4' energy: -102.649
flat angles P-C4'-P energy: -70.743
tors. eta vs tors. theta energy: -105.347
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: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1238.916418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.916418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.916418 (E_RNA)
where:
Base-Base interactions energy: -820.887
where: short stacking energy: -354.138
Base-Backbone interact. energy: -0.387
local terms energy: -417.642726
where:
bonds (distance) C4'-P energy: -93.493
bonds (distance) P-C4' energy: -94.844
flat angles C4'-P-C4' energy: -86.582
flat angles P-C4'-P energy: -55.971
tors. eta vs tors. theta energy: -86.753
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: 336
Temperature: 1.300000
Total energy: -773.528199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.528199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.528199 (E_RNA)
where:
Base-Base interactions energy: -456.060
where: short stacking energy: -223.911
Base-Backbone interact. energy: -1.232
local terms energy: -316.236294
where:
bonds (distance) C4'-P energy: -81.928
bonds (distance) P-C4' energy: -89.095
flat angles C4'-P-C4' energy: -85.134
flat angles P-C4'-P energy: -41.866
tors. eta vs tors. theta energy: -18.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -430.927827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.927827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.927827 (E_RNA)
where:
Base-Base interactions energy: -166.768
where: short stacking energy: -146.441
Base-Backbone interact. energy: 4.029
local terms energy: -268.188626
where:
bonds (distance) C4'-P energy: -79.951
bonds (distance) P-C4' energy: -90.432
flat angles C4'-P-C4' energy: -64.375
flat angles P-C4'-P energy: -45.014
tors. eta vs tors. theta energy: 11.584
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: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1912.325990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.325990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.325990 (E_RNA)
where:
Base-Base interactions energy: -1319.635
where: short stacking energy: -572.938
Base-Backbone interact. energy: -1.935
local terms energy: -590.755555
where:
bonds (distance) C4'-P energy: -115.341
bonds (distance) P-C4' energy: -104.407
flat angles C4'-P-C4' energy: -126.880
flat angles P-C4'-P energy: -76.291
tors. eta vs tors. theta energy: -167.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1856.444100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.444100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.444100 (E_RNA)
where:
Base-Base interactions energy: -1279.299
where: short stacking energy: -544.335
Base-Backbone interact. energy: -3.486
local terms energy: -573.659045
where:
bonds (distance) C4'-P energy: -109.890
bonds (distance) P-C4' energy: -109.536
flat angles C4'-P-C4' energy: -121.103
flat angles P-C4'-P energy: -74.742
tors. eta vs tors. theta energy: -158.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1750.806126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.806126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.806126 (E_RNA)
where:
Base-Base interactions energy: -1222.634
where: short stacking energy: -517.966
Base-Backbone interact. energy: -1.257
local terms energy: -526.915051
where:
bonds (distance) C4'-P energy: -90.145
bonds (distance) P-C4' energy: -92.340
flat angles C4'-P-C4' energy: -115.618
flat angles P-C4'-P energy: -84.793
tors. eta vs tors. theta energy: -144.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1646.202809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.202809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.202809 (E_RNA)
where:
Base-Base interactions energy: -1116.761
where: short stacking energy: -460.879
Base-Backbone interact. energy: -1.498
local terms energy: -527.944633
where:
bonds (distance) C4'-P energy: -93.782
bonds (distance) P-C4' energy: -111.846
flat angles C4'-P-C4' energy: -122.298
flat angles P-C4'-P energy: -65.392
tors. eta vs tors. theta energy: -134.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1549.427423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.427423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.427423 (E_RNA)
where:
Base-Base interactions energy: -1060.526
where: short stacking energy: -466.984
Base-Backbone interact. energy: 1.353
local terms energy: -490.254164
where:
bonds (distance) C4'-P energy: -98.717
bonds (distance) P-C4' energy: -96.305
flat angles C4'-P-C4' energy: -102.518
flat angles P-C4'-P energy: -70.923
tors. eta vs tors. theta energy: -121.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1471.239345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.239345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.239345 (E_RNA)
where:
Base-Base interactions energy: -1005.149
where: short stacking energy: -400.479
Base-Backbone interact. energy: -3.048
local terms energy: -463.042162
where:
bonds (distance) C4'-P energy: -80.766
bonds (distance) P-C4' energy: -94.949
flat angles C4'-P-C4' energy: -112.360
flat angles P-C4'-P energy: -72.796
tors. eta vs tors. theta energy: -102.171
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: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1419.629621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.629621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.629621 (E_RNA)
where:
Base-Base interactions energy: -954.720
where: short stacking energy: -395.214
Base-Backbone interact. energy: 7.053
local terms energy: -471.962496
where:
bonds (distance) C4'-P energy: -85.969
bonds (distance) P-C4' energy: -115.392
flat angles C4'-P-C4' energy: -110.382
flat angles P-C4'-P energy: -60.382
tors. eta vs tors. theta energy: -99.838
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: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1206.194783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.194783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.194783 (E_RNA)
where:
Base-Base interactions energy: -818.105
where: short stacking energy: -357.436
Base-Backbone interact. energy: 1.441
local terms energy: -389.530245
where:
bonds (distance) C4'-P energy: -78.086
bonds (distance) P-C4' energy: -98.821
flat angles C4'-P-C4' energy: -98.034
flat angles P-C4'-P energy: -52.437
tors. eta vs tors. theta energy: -62.151
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: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -807.417489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.417489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.417489 (E_RNA)
where:
Base-Base interactions energy: -483.802
where: short stacking energy: -252.476
Base-Backbone interact. energy: 0.148
local terms energy: -323.762634
where:
bonds (distance) C4'-P energy: -71.718
bonds (distance) P-C4' energy: -95.308
flat angles C4'-P-C4' energy: -84.208
flat angles P-C4'-P energy: -43.530
tors. eta vs tors. theta energy: -28.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -458.537872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.537872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.537872 (E_RNA)
where:
Base-Base interactions energy: -166.796
where: short stacking energy: -129.173
Base-Backbone interact. energy: 2.558
local terms energy: -294.299393
where:
bonds (distance) C4'-P energy: -86.236
bonds (distance) P-C4' energy: -99.307
flat angles C4'-P-C4' energy: -83.265
flat angles P-C4'-P energy: -40.125
tors. eta vs tors. theta energy: 14.633
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: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1923.376827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.376827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.376827 (E_RNA)
where:
Base-Base interactions energy: -1324.111
where: short stacking energy: -574.725
Base-Backbone interact. energy: 1.027
local terms energy: -600.292880
where:
bonds (distance) C4'-P energy: -102.520
bonds (distance) P-C4' energy: -112.707
flat angles C4'-P-C4' energy: -127.049
flat angles P-C4'-P energy: -90.368
tors. eta vs tors. theta energy: -167.649
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: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1886.076306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.076306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.076306 (E_RNA)
where:
Base-Base interactions energy: -1296.276
where: short stacking energy: -565.265
Base-Backbone interact. energy: -0.086
local terms energy: -589.714207
where:
bonds (distance) C4'-P energy: -102.064
bonds (distance) P-C4' energy: -112.604
flat angles C4'-P-C4' energy: -116.815
flat angles P-C4'-P energy: -98.333
tors. eta vs tors. theta energy: -159.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1780.861457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.861457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.861457 (E_RNA)
where:
Base-Base interactions energy: -1207.046
where: short stacking energy: -523.460
Base-Backbone interact. energy: -3.032
local terms energy: -570.783260
where:
bonds (distance) C4'-P energy: -99.987
bonds (distance) P-C4' energy: -104.872
flat angles C4'-P-C4' energy: -126.670
flat angles P-C4'-P energy: -82.763
tors. eta vs tors. theta energy: -156.491
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: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1668.229248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.229248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.229248 (E_RNA)
where:
Base-Base interactions energy: -1147.824
where: short stacking energy: -482.189
Base-Backbone interact. energy: -0.967
local terms energy: -519.439050
where:
bonds (distance) C4'-P energy: -96.933
bonds (distance) P-C4' energy: -103.182
flat angles C4'-P-C4' energy: -115.706
flat angles P-C4'-P energy: -72.062
tors. eta vs tors. theta energy: -131.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1506.134998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.134998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.134998 (E_RNA)
where:
Base-Base interactions energy: -1038.332
where: short stacking energy: -439.175
Base-Backbone interact. energy: -2.843
local terms energy: -464.959901
where:
bonds (distance) C4'-P energy: -107.211
bonds (distance) P-C4' energy: -81.852
flat angles C4'-P-C4' energy: -97.497
flat angles P-C4'-P energy: -65.311
tors. eta vs tors. theta energy: -113.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1522.232037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.232037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.232037 (E_RNA)
where:
Base-Base interactions energy: -1029.455
where: short stacking energy: -442.437
Base-Backbone interact. energy: -3.306
local terms energy: -489.471685
where:
bonds (distance) C4'-P energy: -97.642
bonds (distance) P-C4' energy: -94.108
flat angles C4'-P-C4' energy: -99.526
flat angles P-C4'-P energy: -76.193
tors. eta vs tors. theta energy: -122.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1427.008857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.008857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.008857 (E_RNA)
where:
Base-Base interactions energy: -957.305
where: short stacking energy: -401.836
Base-Backbone interact. energy: -0.572
local terms energy: -469.132057
where:
bonds (distance) C4'-P energy: -97.911
bonds (distance) P-C4' energy: -104.031
flat angles C4'-P-C4' energy: -97.028
flat angles P-C4'-P energy: -63.640
tors. eta vs tors. theta energy: -106.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1251.811417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.811417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.811417 (E_RNA)
where:
Base-Base interactions energy: -841.680
where: short stacking energy: -353.483
Base-Backbone interact. energy: -2.339
local terms energy: -407.793201
where:
bonds (distance) C4'-P energy: -79.120
bonds (distance) P-C4' energy: -92.615
flat angles C4'-P-C4' energy: -85.880
flat angles P-C4'-P energy: -70.709
tors. eta vs tors. theta energy: -79.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -858.499472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.499472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.499472 (E_RNA)
where:
Base-Base interactions energy: -514.536
where: short stacking energy: -246.559
Base-Backbone interact. energy: 1.390
local terms energy: -345.353884
where:
bonds (distance) C4'-P energy: -90.859
bonds (distance) P-C4' energy: -98.866
flat angles C4'-P-C4' energy: -70.148
flat angles P-C4'-P energy: -43.772
tors. eta vs tors. theta energy: -41.710
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: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -460.162754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.162754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.162754 (E_RNA)
where:
Base-Base interactions energy: -200.572
where: short stacking energy: -125.772
Base-Backbone interact. energy: 0.425
local terms energy: -260.015733
where:
bonds (distance) C4'-P energy: -86.770
bonds (distance) P-C4' energy: -93.943
flat angles C4'-P-C4' energy: -62.696
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: 12.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1930.584630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.584630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.584630 (E_RNA)
where:
Base-Base interactions energy: -1340.363
where: short stacking energy: -577.422
Base-Backbone interact. energy: -0.664
local terms energy: -589.557497
where:
bonds (distance) C4'-P energy: -110.197
bonds (distance) P-C4' energy: -103.089
flat angles C4'-P-C4' energy: -120.516
flat angles P-C4'-P energy: -91.101
tors. eta vs tors. theta energy: -164.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1866.843296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.843296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.843296 (E_RNA)
where:
Base-Base interactions energy: -1306.003
where: short stacking energy: -581.668
Base-Backbone interact. energy: -3.370
local terms energy: -557.470862
where:
bonds (distance) C4'-P energy: -79.788
bonds (distance) P-C4' energy: -109.369
flat angles C4'-P-C4' energy: -117.985
flat angles P-C4'-P energy: -77.268
tors. eta vs tors. theta energy: -173.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1794.636829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.636829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.636829 (E_RNA)
where:
Base-Base interactions energy: -1244.006
where: short stacking energy: -544.648
Base-Backbone interact. energy: -3.632
local terms energy: -546.998898
where:
bonds (distance) C4'-P energy: -102.693
bonds (distance) P-C4' energy: -91.305
flat angles C4'-P-C4' energy: -111.359
flat angles P-C4'-P energy: -84.001
tors. eta vs tors. theta energy: -157.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1639.814709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.814709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.814709 (E_RNA)
where:
Base-Base interactions energy: -1147.078
where: short stacking energy: -477.075
Base-Backbone interact. energy: 6.633
local terms energy: -499.369747
where:
bonds (distance) C4'-P energy: -106.744
bonds (distance) P-C4' energy: -93.458
flat angles C4'-P-C4' energy: -104.893
flat angles P-C4'-P energy: -68.332
tors. eta vs tors. theta energy: -125.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1520.891772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.891772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.891772 (E_RNA)
where:
Base-Base interactions energy: -1019.741
where: short stacking energy: -454.316
Base-Backbone interact. energy: 0.243
local terms energy: -501.393692
where:
bonds (distance) C4'-P energy: -98.116
bonds (distance) P-C4' energy: -95.560
flat angles C4'-P-C4' energy: -112.235
flat angles P-C4'-P energy: -78.375
tors. eta vs tors. theta energy: -117.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1556.694236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.694236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.694236 (E_RNA)
where:
Base-Base interactions energy: -1048.613
where: short stacking energy: -459.947
Base-Backbone interact. energy: -3.038
local terms energy: -505.044116
where:
bonds (distance) C4'-P energy: -83.882
bonds (distance) P-C4' energy: -93.116
flat angles C4'-P-C4' energy: -118.058
flat angles P-C4'-P energy: -73.942
tors. eta vs tors. theta energy: -136.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1426.927002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.927002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.927002 (E_RNA)
where:
Base-Base interactions energy: -977.871
where: short stacking energy: -424.323
Base-Backbone interact. energy: -3.954
local terms energy: -445.102633
where:
bonds (distance) C4'-P energy: -93.932
bonds (distance) P-C4' energy: -91.438
flat angles C4'-P-C4' energy: -96.480
flat angles P-C4'-P energy: -51.527
tors. eta vs tors. theta energy: -111.725
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: 8, replica: 2
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1227.987484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.987484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.987484 (E_RNA)
where:
Base-Base interactions energy: -799.016
where: short stacking energy: -344.164
Base-Backbone interact. energy: -2.593
local terms energy: -426.378274
where:
bonds (distance) C4'-P energy: -82.744
bonds (distance) P-C4' energy: -95.038
flat angles C4'-P-C4' energy: -91.872
flat angles P-C4'-P energy: -69.202
tors. eta vs tors. theta energy: -87.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -841.328218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.328218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.328218 (E_RNA)
where:
Base-Base interactions energy: -497.102
where: short stacking energy: -224.557
Base-Backbone interact. energy: 1.042
local terms energy: -345.268068
where:
bonds (distance) C4'-P energy: -87.392
bonds (distance) P-C4' energy: -110.662
flat angles C4'-P-C4' energy: -88.084
flat angles P-C4'-P energy: -48.617
tors. eta vs tors. theta energy: -10.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -482.941255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.941255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.941255 (E_RNA)
where:
Base-Base interactions energy: -218.851
where: short stacking energy: -136.584
Base-Backbone interact. energy: -1.978
local terms energy: -262.111504
where:
bonds (distance) C4'-P energy: -82.884
bonds (distance) P-C4' energy: -104.892
flat angles C4'-P-C4' energy: -55.657
flat angles P-C4'-P energy: -35.460
tors. eta vs tors. theta energy: 16.781
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: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1954.939902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.939902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.939902 (E_RNA)
where:
Base-Base interactions energy: -1363.863
where: short stacking energy: -590.090
Base-Backbone interact. energy: -1.203
local terms energy: -589.873883
where:
bonds (distance) C4'-P energy: -102.579
bonds (distance) P-C4' energy: -107.110
flat angles C4'-P-C4' energy: -132.028
flat angles P-C4'-P energy: -82.892
tors. eta vs tors. theta energy: -165.264
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: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1842.368914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.368914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.368914 (E_RNA)
where:
Base-Base interactions energy: -1279.450
where: short stacking energy: -541.650
Base-Backbone interact. energy: -4.850
local terms energy: -558.068948
where:
bonds (distance) C4'-P energy: -103.490
bonds (distance) P-C4' energy: -88.703
flat angles C4'-P-C4' energy: -127.627
flat angles P-C4'-P energy: -75.860
tors. eta vs tors. theta energy: -162.390
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: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1738.652408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.652408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.652408 (E_RNA)
where:
Base-Base interactions energy: -1206.473
where: short stacking energy: -518.133
Base-Backbone interact. energy: -2.114
local terms energy: -530.065529
where:
bonds (distance) C4'-P energy: -100.380
bonds (distance) P-C4' energy: -99.378
flat angles C4'-P-C4' energy: -116.023
flat angles P-C4'-P energy: -67.832
tors. eta vs tors. theta energy: -146.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1673.143916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.143916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.143916 (E_RNA)
where:
Base-Base interactions energy: -1150.113
where: short stacking energy: -497.446
Base-Backbone interact. energy: -2.660
local terms energy: -520.370677
where:
bonds (distance) C4'-P energy: -87.782
bonds (distance) P-C4' energy: -109.117
flat angles C4'-P-C4' energy: -106.676
flat angles P-C4'-P energy: -80.501
tors. eta vs tors. theta energy: -136.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1534.982858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.982858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.982858 (E_RNA)
where:
Base-Base interactions energy: -1040.661
where: short stacking energy: -444.606
Base-Backbone interact. energy: -1.288
local terms energy: -493.034211
where:
bonds (distance) C4'-P energy: -100.568
bonds (distance) P-C4' energy: -93.612
flat angles C4'-P-C4' energy: -106.578
flat angles P-C4'-P energy: -78.418
tors. eta vs tors. theta energy: -113.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1528.404355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.404355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.404355 (E_RNA)
where:
Base-Base interactions energy: -1056.054
where: short stacking energy: -446.991
Base-Backbone interact. energy: 1.363
local terms energy: -473.712794
where:
bonds (distance) C4'-P energy: -84.573
bonds (distance) P-C4' energy: -83.173
flat angles C4'-P-C4' energy: -99.350
flat angles P-C4'-P energy: -70.803
tors. eta vs tors. theta energy: -135.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1409.785308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.785308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.785308 (E_RNA)
where:
Base-Base interactions energy: -973.673
where: short stacking energy: -395.072
Base-Backbone interact. energy: -1.574
local terms energy: -434.538145
where:
bonds (distance) C4'-P energy: -86.101
bonds (distance) P-C4' energy: -94.760
flat angles C4'-P-C4' energy: -100.236
flat angles P-C4'-P energy: -61.413
tors. eta vs tors. theta energy: -92.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1222.954490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.954490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.954490 (E_RNA)
where:
Base-Base interactions energy: -827.549
where: short stacking energy: -361.223
Base-Backbone interact. energy: 1.012
local terms energy: -396.417236
where:
bonds (distance) C4'-P energy: -67.142
bonds (distance) P-C4' energy: -93.260
flat angles C4'-P-C4' energy: -95.680
flat angles P-C4'-P energy: -58.679
tors. eta vs tors. theta energy: -81.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -803.307914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.307914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.307914 (E_RNA)
where:
Base-Base interactions energy: -459.553
where: short stacking energy: -202.947
Base-Backbone interact. energy: 3.567
local terms energy: -347.322124
where:
bonds (distance) C4'-P energy: -97.658
bonds (distance) P-C4' energy: -112.358
flat angles C4'-P-C4' energy: -73.057
flat angles P-C4'-P energy: -51.738
tors. eta vs tors. theta energy: -12.512
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: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -496.189338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.189338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.189338 (E_RNA)
where:
Base-Base interactions energy: -196.414
where: short stacking energy: -131.951
Base-Backbone interact. energy: -1.018
local terms energy: -298.757218
where:
bonds (distance) C4'-P energy: -95.365
bonds (distance) P-C4' energy: -101.528
flat angles C4'-P-C4' energy: -65.407
flat angles P-C4'-P energy: -46.204
tors. eta vs tors. theta energy: 9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1942.609954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.609954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.609954 (E_RNA)
where:
Base-Base interactions energy: -1348.004
where: short stacking energy: -579.438
Base-Backbone interact. energy: -1.384
local terms energy: -593.221444
where:
bonds (distance) C4'-P energy: -95.878
bonds (distance) P-C4' energy: -108.872
flat angles C4'-P-C4' energy: -127.967
flat angles P-C4'-P energy: -85.660
tors. eta vs tors. theta energy: -174.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1859.941215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.941215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.941215 (E_RNA)
where:
Base-Base interactions energy: -1285.351
where: short stacking energy: -565.721
Base-Backbone interact. energy: -0.473
local terms energy: -574.118021
where:
bonds (distance) C4'-P energy: -92.000
bonds (distance) P-C4' energy: -111.578
flat angles C4'-P-C4' energy: -123.315
flat angles P-C4'-P energy: -88.449
tors. eta vs tors. theta energy: -158.776
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: 341
Temperature: 1.000000
Total energy: -1784.500719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.500719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.500719 (E_RNA)
where:
Base-Base interactions energy: -1212.165
where: short stacking energy: -528.968
Base-Backbone interact. energy: 5.160
local terms energy: -577.495632
where:
bonds (distance) C4'-P energy: -96.419
bonds (distance) P-C4' energy: -111.693
flat angles C4'-P-C4' energy: -120.800
flat angles P-C4'-P energy: -94.582
tors. eta vs tors. theta energy: -154.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1638.884667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.884667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.884667 (E_RNA)
where:
Base-Base interactions energy: -1131.068
where: short stacking energy: -475.799
Base-Backbone interact. energy: -1.483
local terms energy: -506.333496
where:
bonds (distance) C4'-P energy: -93.109
bonds (distance) P-C4' energy: -108.643
flat angles C4'-P-C4' energy: -109.462
flat angles P-C4'-P energy: -69.560
tors. eta vs tors. theta energy: -125.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1575.508541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.508541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.508541 (E_RNA)
where:
Base-Base interactions energy: -1069.236
where: short stacking energy: -471.680
Base-Backbone interact. energy: -2.170
local terms energy: -504.102006
where:
bonds (distance) C4'-P energy: -91.571
bonds (distance) P-C4' energy: -98.006
flat angles C4'-P-C4' energy: -104.706
flat angles P-C4'-P energy: -76.488
tors. eta vs tors. theta energy: -133.331
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: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1485.580377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.580377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.580377 (E_RNA)
where:
Base-Base interactions energy: -1020.343
where: short stacking energy: -440.695
Base-Backbone interact. energy: 1.685
local terms energy: -466.922702
where:
bonds (distance) C4'-P energy: -86.734
bonds (distance) P-C4' energy: -94.506
flat angles C4'-P-C4' energy: -117.325
flat angles P-C4'-P energy: -60.516
tors. eta vs tors. theta energy: -107.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1420.421025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.421025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.421025 (E_RNA)
where:
Base-Base interactions energy: -978.056
where: short stacking energy: -397.458
Base-Backbone interact. energy: -1.330
local terms energy: -441.034283
where:
bonds (distance) C4'-P energy: -87.114
bonds (distance) P-C4' energy: -85.161
flat angles C4'-P-C4' energy: -113.405
flat angles P-C4'-P energy: -65.540
tors. eta vs tors. theta energy: -89.814
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: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1230.486221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.486221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.486221 (E_RNA)
where:
Base-Base interactions energy: -819.382
where: short stacking energy: -337.729
Base-Backbone interact. energy: -2.792
local terms energy: -408.312136
where:
bonds (distance) C4'-P energy: -88.406
bonds (distance) P-C4' energy: -92.284
flat angles C4'-P-C4' energy: -90.277
flat angles P-C4'-P energy: -68.772
tors. eta vs tors. theta energy: -68.573
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: 341
Temperature: 1.300000
Total energy: -771.334862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.334862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.334862 (E_RNA)
where:
Base-Base interactions energy: -432.773
where: short stacking energy: -210.373
Base-Backbone interact. energy: 5.873
local terms energy: -344.435437
where:
bonds (distance) C4'-P energy: -94.257
bonds (distance) P-C4' energy: -93.699
flat angles C4'-P-C4' energy: -79.416
flat angles P-C4'-P energy: -66.723
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -466.291187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.291187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.291187 (E_RNA)
where:
Base-Base interactions energy: -169.597
where: short stacking energy: -128.788
Base-Backbone interact. energy: 4.474
local terms energy: -301.168613
where:
bonds (distance) C4'-P energy: -100.417
bonds (distance) P-C4' energy: -91.774
flat angles C4'-P-C4' energy: -79.462
flat angles P-C4'-P energy: -47.059
tors. eta vs tors. theta energy: 17.544
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: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1926.597811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.597811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.597811 (E_RNA)
where:
Base-Base interactions energy: -1322.640
where: short stacking energy: -575.344
Base-Backbone interact. energy: -2.000
local terms energy: -601.958225
where:
bonds (distance) C4'-P energy: -108.993
bonds (distance) P-C4' energy: -103.878
flat angles C4'-P-C4' energy: -127.952
flat angles P-C4'-P energy: -89.629
tors. eta vs tors. theta energy: -171.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1832.677063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.677063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.677063 (E_RNA)
where:
Base-Base interactions energy: -1262.936
where: short stacking energy: -534.191
Base-Backbone interact. energy: -4.142
local terms energy: -565.599072
where:
bonds (distance) C4'-P energy: -110.286
bonds (distance) P-C4' energy: -90.936
flat angles C4'-P-C4' energy: -121.863
flat angles P-C4'-P energy: -85.814
tors. eta vs tors. theta energy: -156.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1790.238281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.238281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.238281 (E_RNA)
where:
Base-Base interactions energy: -1221.902
where: short stacking energy: -525.344
Base-Backbone interact. energy: -2.541
local terms energy: -565.795836
where:
bonds (distance) C4'-P energy: -112.013
bonds (distance) P-C4' energy: -107.323
flat angles C4'-P-C4' energy: -122.288
flat angles P-C4'-P energy: -76.959
tors. eta vs tors. theta energy: -147.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1616.566824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.566824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.566824 (E_RNA)
where:
Base-Base interactions energy: -1108.886
where: short stacking energy: -479.342
Base-Backbone interact. energy: 0.509
local terms energy: -508.190151
where:
bonds (distance) C4'-P energy: -98.101
bonds (distance) P-C4' energy: -99.482
flat angles C4'-P-C4' energy: -104.203
flat angles P-C4'-P energy: -73.687
tors. eta vs tors. theta energy: -132.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1564.506757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.506757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.506757 (E_RNA)
where:
Base-Base interactions energy: -1067.732
where: short stacking energy: -442.549
Base-Backbone interact. energy: -2.565
local terms energy: -494.210046
where:
bonds (distance) C4'-P energy: -91.755
bonds (distance) P-C4' energy: -88.768
flat angles C4'-P-C4' energy: -112.508
flat angles P-C4'-P energy: -80.368
tors. eta vs tors. theta energy: -120.810
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: 342
Temperature: 1.150000
Total energy: -1507.640042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.640042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.640042 (E_RNA)
where:
Base-Base interactions energy: -1010.763
where: short stacking energy: -454.382
Base-Backbone interact. energy: -2.858
local terms energy: -494.018489
where:
bonds (distance) C4'-P energy: -112.175
bonds (distance) P-C4' energy: -91.071
flat angles C4'-P-C4' energy: -101.443
flat angles P-C4'-P energy: -71.617
tors. eta vs tors. theta energy: -117.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1424.795850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.795850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.795850 (E_RNA)
where:
Base-Base interactions energy: -947.509
where: short stacking energy: -408.797
Base-Backbone interact. energy: -3.238
local terms energy: -474.048385
where:
bonds (distance) C4'-P energy: -93.305
bonds (distance) P-C4' energy: -85.497
flat angles C4'-P-C4' energy: -105.634
flat angles P-C4'-P energy: -73.832
tors. eta vs tors. theta energy: -115.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1235.847044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.847044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.847044 (E_RNA)
where:
Base-Base interactions energy: -832.694
where: short stacking energy: -349.035
Base-Backbone interact. energy: -0.462
local terms energy: -402.691834
where:
bonds (distance) C4'-P energy: -75.262
bonds (distance) P-C4' energy: -95.670
flat angles C4'-P-C4' energy: -88.543
flat angles P-C4'-P energy: -61.311
tors. eta vs tors. theta energy: -81.906
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: 342
Temperature: 1.300000
Total energy: -783.413026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.413026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.413026 (E_RNA)
where:
Base-Base interactions energy: -443.486
where: short stacking energy: -228.400
Base-Backbone interact. energy: 6.965
local terms energy: -346.892045
where:
bonds (distance) C4'-P energy: -91.369
bonds (distance) P-C4' energy: -102.420
flat angles C4'-P-C4' energy: -82.607
flat angles P-C4'-P energy: -52.096
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -437.153248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.153248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.153248 (E_RNA)
where:
Base-Base interactions energy: -150.413
where: short stacking energy: -122.325
Base-Backbone interact. energy: -0.298
local terms energy: -286.441599
where:
bonds (distance) C4'-P energy: -92.649
bonds (distance) P-C4' energy: -99.758
flat angles C4'-P-C4' energy: -70.310
flat angles P-C4'-P energy: -39.232
tors. eta vs tors. theta energy: 15.507
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: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1928.400565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.400565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.400565 (E_RNA)
where:
Base-Base interactions energy: -1314.296
where: short stacking energy: -569.967
Base-Backbone interact. energy: -1.534
local terms energy: -612.571060
where:
bonds (distance) C4'-P energy: -109.543
bonds (distance) P-C4' energy: -115.236
flat angles C4'-P-C4' energy: -122.947
flat angles P-C4'-P energy: -90.159
tors. eta vs tors. theta energy: -174.686
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: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1840.982357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.982357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.982357 (E_RNA)
where:
Base-Base interactions energy: -1293.652
where: short stacking energy: -558.611
Base-Backbone interact. energy: -2.339
local terms energy: -544.991633
where:
bonds (distance) C4'-P energy: -90.742
bonds (distance) P-C4' energy: -100.257
flat angles C4'-P-C4' energy: -110.633
flat angles P-C4'-P energy: -84.650
tors. eta vs tors. theta energy: -158.709
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: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1747.911480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.911480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.911480 (E_RNA)
where:
Base-Base interactions energy: -1188.817
where: short stacking energy: -518.844
Base-Backbone interact. energy: -1.333
local terms energy: -557.761197
where:
bonds (distance) C4'-P energy: -107.779
bonds (distance) P-C4' energy: -107.619
flat angles C4'-P-C4' energy: -117.362
flat angles P-C4'-P energy: -76.282
tors. eta vs tors. theta energy: -148.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1643.856882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.856882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.856882 (E_RNA)
where:
Base-Base interactions energy: -1123.650
where: short stacking energy: -458.697
Base-Backbone interact. energy: -4.524
local terms energy: -515.683264
where:
bonds (distance) C4'-P energy: -100.625
bonds (distance) P-C4' energy: -90.843
flat angles C4'-P-C4' energy: -119.288
flat angles P-C4'-P energy: -75.273
tors. eta vs tors. theta energy: -129.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1596.826596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.826596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.826596 (E_RNA)
where:
Base-Base interactions energy: -1090.388
where: short stacking energy: -471.939
Base-Backbone interact. energy: -1.715
local terms energy: -504.723356
where:
bonds (distance) C4'-P energy: -90.700
bonds (distance) P-C4' energy: -100.065
flat angles C4'-P-C4' energy: -114.540
flat angles P-C4'-P energy: -72.922
tors. eta vs tors. theta energy: -126.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1420.358876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.358876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.358876 (E_RNA)
where:
Base-Base interactions energy: -960.214
where: short stacking energy: -393.316
Base-Backbone interact. energy: 4.965
local terms energy: -465.110156
where:
bonds (distance) C4'-P energy: -87.957
bonds (distance) P-C4' energy: -94.766
flat angles C4'-P-C4' energy: -99.165
flat angles P-C4'-P energy: -71.568
tors. eta vs tors. theta energy: -111.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1451.998599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.998599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.998599 (E_RNA)
where:
Base-Base interactions energy: -978.348
where: short stacking energy: -432.848
Base-Backbone interact. energy: -2.289
local terms energy: -471.361286
where:
bonds (distance) C4'-P energy: -93.969
bonds (distance) P-C4' energy: -102.216
flat angles C4'-P-C4' energy: -101.612
flat angles P-C4'-P energy: -56.672
tors. eta vs tors. theta energy: -116.892
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: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1256.926448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.926448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.926448 (E_RNA)
where:
Base-Base interactions energy: -850.859
where: short stacking energy: -371.456
Base-Backbone interact. energy: -1.646
local terms energy: -404.421137
where:
bonds (distance) C4'-P energy: -81.497
bonds (distance) P-C4' energy: -86.371
flat angles C4'-P-C4' energy: -89.082
flat angles P-C4'-P energy: -65.230
tors. eta vs tors. theta energy: -82.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -830.471127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.471127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.471127 (E_RNA)
where:
Base-Base interactions energy: -476.445
where: short stacking energy: -227.428
Base-Backbone interact. energy: -0.823
local terms energy: -353.203734
where:
bonds (distance) C4'-P energy: -100.089
bonds (distance) P-C4' energy: -89.670
flat angles C4'-P-C4' energy: -88.022
flat angles P-C4'-P energy: -44.166
tors. eta vs tors. theta energy: -31.256
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: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -428.918767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.918767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.918767 (E_RNA)
where:
Base-Base interactions energy: -158.065
where: short stacking energy: -116.200
Base-Backbone interact. energy: -1.900
local terms energy: -268.953260
where:
bonds (distance) C4'-P energy: -81.700
bonds (distance) P-C4' energy: -89.188
flat angles C4'-P-C4' energy: -70.425
flat angles P-C4'-P energy: -37.866
tors. eta vs tors. theta energy: 10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1921.801702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.801702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.801702 (E_RNA)
where:
Base-Base interactions energy: -1342.108
where: short stacking energy: -582.990
Base-Backbone interact. energy: -1.067
local terms energy: -578.627374
where:
bonds (distance) C4'-P energy: -97.899
bonds (distance) P-C4' energy: -115.150
flat angles C4'-P-C4' energy: -115.342
flat angles P-C4'-P energy: -87.981
tors. eta vs tors. theta energy: -162.256
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: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1847.913449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.913449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.913449 (E_RNA)
where:
Base-Base interactions energy: -1282.206
where: short stacking energy: -539.078
Base-Backbone interact. energy: -3.562
local terms energy: -562.145397
where:
bonds (distance) C4'-P energy: -109.230
bonds (distance) P-C4' energy: -93.571
flat angles C4'-P-C4' energy: -123.875
flat angles P-C4'-P energy: -82.033
tors. eta vs tors. theta energy: -153.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1707.932383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.932383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.932383 (E_RNA)
where:
Base-Base interactions energy: -1148.795
where: short stacking energy: -487.264
Base-Backbone interact. energy: -2.368
local terms energy: -556.768729
where:
bonds (distance) C4'-P energy: -103.477
bonds (distance) P-C4' energy: -98.363
flat angles C4'-P-C4' energy: -119.803
flat angles P-C4'-P energy: -85.039
tors. eta vs tors. theta energy: -150.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1625.317846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.317846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.317846 (E_RNA)
where:
Base-Base interactions energy: -1104.575
where: short stacking energy: -461.520
Base-Backbone interact. energy: -2.057
local terms energy: -518.686371
where:
bonds (distance) C4'-P energy: -105.205
bonds (distance) P-C4' energy: -117.509
flat angles C4'-P-C4' energy: -100.761
flat angles P-C4'-P energy: -68.966
tors. eta vs tors. theta energy: -126.246
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: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1566.647952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.647952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.647952 (E_RNA)
where:
Base-Base interactions energy: -1079.805
where: short stacking energy: -476.171
Base-Backbone interact. energy: 3.300
local terms energy: -490.143134
where:
bonds (distance) C4'-P energy: -94.021
bonds (distance) P-C4' energy: -92.983
flat angles C4'-P-C4' energy: -97.876
flat angles P-C4'-P energy: -76.736
tors. eta vs tors. theta energy: -128.527
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: 6, replica: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1430.947003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.947003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.947003 (E_RNA)
where:
Base-Base interactions energy: -956.449
where: short stacking energy: -417.888
Base-Backbone interact. energy: -1.034
local terms energy: -473.463393
where:
bonds (distance) C4'-P energy: -83.157
bonds (distance) P-C4' energy: -99.349
flat angles C4'-P-C4' energy: -113.105
flat angles P-C4'-P energy: -73.454
tors. eta vs tors. theta energy: -104.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1329.476566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.476566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.476566 (E_RNA)
where:
Base-Base interactions energy: -883.472
where: short stacking energy: -382.762
Base-Backbone interact. energy: -1.576
local terms energy: -444.428049
where:
bonds (distance) C4'-P energy: -95.956
bonds (distance) P-C4' energy: -96.741
flat angles C4'-P-C4' energy: -108.228
flat angles P-C4'-P energy: -58.416
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: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1381.670674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.670674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.670674 (E_RNA)
where:
Base-Base interactions energy: -955.555
where: short stacking energy: -410.046
Base-Backbone interact. energy: 2.715
local terms energy: -428.830417
where:
bonds (distance) C4'-P energy: -80.482
bonds (distance) P-C4' energy: -99.013
flat angles C4'-P-C4' energy: -96.791
flat angles P-C4'-P energy: -47.094
tors. eta vs tors. theta energy: -105.451
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: 344
Temperature: 1.300000
Total energy: -792.828752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.828752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.828752 (E_RNA)
where:
Base-Base interactions energy: -451.478
where: short stacking energy: -214.639
Base-Backbone interact. energy: 4.445
local terms energy: -345.795707
where:
bonds (distance) C4'-P energy: -97.454
bonds (distance) P-C4' energy: -89.145
flat angles C4'-P-C4' energy: -88.962
flat angles P-C4'-P energy: -41.756
tors. eta vs tors. theta energy: -28.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -434.974792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.974792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.974792 (E_RNA)
where:
Base-Base interactions energy: -152.591
where: short stacking energy: -126.573
Base-Backbone interact. energy: -2.057
local terms energy: -280.327437
where:
bonds (distance) C4'-P energy: -87.648
bonds (distance) P-C4' energy: -81.310
flat angles C4'-P-C4' energy: -68.931
flat angles P-C4'-P energy: -52.679
tors. eta vs tors. theta energy: 10.240
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: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1921.168345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.168345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.168345 (E_RNA)
where:
Base-Base interactions energy: -1316.492
where: short stacking energy: -564.318
Base-Backbone interact. energy: 3.283
local terms energy: -607.959734
where:
bonds (distance) C4'-P energy: -113.214
bonds (distance) P-C4' energy: -106.566
flat angles C4'-P-C4' energy: -127.889
flat angles P-C4'-P energy: -83.319
tors. eta vs tors. theta energy: -176.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1845.921228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.921228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.921228 (E_RNA)
where:
Base-Base interactions energy: -1281.228
where: short stacking energy: -522.917
Base-Backbone interact. energy: -3.789
local terms energy: -560.903720
where:
bonds (distance) C4'-P energy: -110.679
bonds (distance) P-C4' energy: -110.078
flat angles C4'-P-C4' energy: -112.427
flat angles P-C4'-P energy: -79.212
tors. eta vs tors. theta energy: -148.507
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: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1721.725272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.725272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.725272 (E_RNA)
where:
Base-Base interactions energy: -1186.428
where: short stacking energy: -493.369
Base-Backbone interact. energy: -3.077
local terms energy: -532.220024
where:
bonds (distance) C4'-P energy: -100.332
bonds (distance) P-C4' energy: -102.773
flat angles C4'-P-C4' energy: -110.821
flat angles P-C4'-P energy: -73.835
tors. eta vs tors. theta energy: -144.458
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: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1612.195209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.195209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.195209 (E_RNA)
where:
Base-Base interactions energy: -1095.886
where: short stacking energy: -446.160
Base-Backbone interact. energy: 0.706
local terms energy: -517.015087
where:
bonds (distance) C4'-P energy: -100.525
bonds (distance) P-C4' energy: -104.686
flat angles C4'-P-C4' energy: -116.858
flat angles P-C4'-P energy: -72.037
tors. eta vs tors. theta energy: -122.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1573.659976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.659976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.659976 (E_RNA)
where:
Base-Base interactions energy: -1089.007
where: short stacking energy: -460.397
Base-Backbone interact. energy: 1.779
local terms energy: -486.432000
where:
bonds (distance) C4'-P energy: -92.373
bonds (distance) P-C4' energy: -95.965
flat angles C4'-P-C4' energy: -112.438
flat angles P-C4'-P energy: -62.671
tors. eta vs tors. theta energy: -122.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1411.080530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.080530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.080530 (E_RNA)
where:
Base-Base interactions energy: -968.219
where: short stacking energy: -406.783
Base-Backbone interact. energy: -0.712
local terms energy: -442.149461
where:
bonds (distance) C4'-P energy: -95.648
bonds (distance) P-C4' energy: -79.392
flat angles C4'-P-C4' energy: -102.001
flat angles P-C4'-P energy: -60.758
tors. eta vs tors. theta energy: -104.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1347.432780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.432780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.432780 (E_RNA)
where:
Base-Base interactions energy: -881.580
where: short stacking energy: -401.399
Base-Backbone interact. energy: 0.700
local terms energy: -466.552922
where:
bonds (distance) C4'-P energy: -85.078
bonds (distance) P-C4' energy: -79.326
flat angles C4'-P-C4' energy: -115.040
flat angles P-C4'-P energy: -76.648
tors. eta vs tors. theta energy: -110.461
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: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1443.824443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.824443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.824443 (E_RNA)
where:
Base-Base interactions energy: -967.476
where: short stacking energy: -425.120
Base-Backbone interact. energy: -2.063
local terms energy: -474.285909
where:
bonds (distance) C4'-P energy: -102.509
bonds (distance) P-C4' energy: -85.057
flat angles C4'-P-C4' energy: -98.348
flat angles P-C4'-P energy: -72.649
tors. eta vs tors. theta energy: -115.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -802.360441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.360441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.360441 (E_RNA)
where:
Base-Base interactions energy: -436.699
where: short stacking energy: -206.277
Base-Backbone interact. energy: 0.247
local terms energy: -365.908808
where:
bonds (distance) C4'-P energy: -79.359
bonds (distance) P-C4' energy: -98.105
flat angles C4'-P-C4' energy: -88.857
flat angles P-C4'-P energy: -65.109
tors. eta vs tors. theta energy: -34.479
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: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -413.477265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.477265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.477265 (E_RNA)
where:
Base-Base interactions energy: -143.629
where: short stacking energy: -109.923
Base-Backbone interact. energy: 5.750
local terms energy: -275.598473
where:
bonds (distance) C4'-P energy: -87.347
bonds (distance) P-C4' energy: -94.824
flat angles C4'-P-C4' energy: -72.973
flat angles P-C4'-P energy: -36.543
tors. eta vs tors. theta energy: 16.088
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: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1914.711884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.711884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.711884 (E_RNA)
where:
Base-Base interactions energy: -1336.679
where: short stacking energy: -590.831
Base-Backbone interact. energy: -1.962
local terms energy: -576.070879
where:
bonds (distance) C4'-P energy: -91.187
bonds (distance) P-C4' energy: -105.827
flat angles C4'-P-C4' energy: -129.406
flat angles P-C4'-P energy: -75.660
tors. eta vs tors. theta energy: -173.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1848.429373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.429373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.429373 (E_RNA)
where:
Base-Base interactions energy: -1263.414
where: short stacking energy: -535.636
Base-Backbone interact. energy: -2.843
local terms energy: -582.173278
where:
bonds (distance) C4'-P energy: -111.057
bonds (distance) P-C4' energy: -105.686
flat angles C4'-P-C4' energy: -125.117
flat angles P-C4'-P energy: -80.318
tors. eta vs tors. theta energy: -159.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1716.392780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.392780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.392780 (E_RNA)
where:
Base-Base interactions energy: -1185.794
where: short stacking energy: -520.049
Base-Backbone interact. energy: -2.470
local terms energy: -528.128408
where:
bonds (distance) C4'-P energy: -90.985
bonds (distance) P-C4' energy: -101.631
flat angles C4'-P-C4' energy: -113.046
flat angles P-C4'-P energy: -70.770
tors. eta vs tors. theta energy: -151.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1610.420645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.420645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.420645 (E_RNA)
where:
Base-Base interactions energy: -1097.431
where: short stacking energy: -473.006
Base-Backbone interact. energy: -2.510
local terms energy: -510.479847
where:
bonds (distance) C4'-P energy: -96.684
bonds (distance) P-C4' energy: -103.195
flat angles C4'-P-C4' energy: -105.071
flat angles P-C4'-P energy: -71.893
tors. eta vs tors. theta energy: -133.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1607.649806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.649806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.649806 (E_RNA)
where:
Base-Base interactions energy: -1078.268
where: short stacking energy: -489.187
Base-Backbone interact. energy: -1.144
local terms energy: -528.237500
where:
bonds (distance) C4'-P energy: -101.841
bonds (distance) P-C4' energy: -110.307
flat angles C4'-P-C4' energy: -108.327
flat angles P-C4'-P energy: -70.828
tors. eta vs tors. theta energy: -136.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1469.883597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.883597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.883597 (E_RNA)
where:
Base-Base interactions energy: -987.630
where: short stacking energy: -444.753
Base-Backbone interact. energy: -1.493
local terms energy: -480.760491
where:
bonds (distance) C4'-P energy: -93.065
bonds (distance) P-C4' energy: -97.117
flat angles C4'-P-C4' energy: -108.181
flat angles P-C4'-P energy: -69.756
tors. eta vs tors. theta energy: -112.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1402.121118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.121118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.121118 (E_RNA)
where:
Base-Base interactions energy: -961.323
where: short stacking energy: -404.346
Base-Backbone interact. energy: 3.944
local terms energy: -444.742471
where:
bonds (distance) C4'-P energy: -80.975
bonds (distance) P-C4' energy: -93.936
flat angles C4'-P-C4' energy: -99.586
flat angles P-C4'-P energy: -63.111
tors. eta vs tors. theta energy: -107.135
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: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1317.683412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.683412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.683412 (E_RNA)
where:
Base-Base interactions energy: -874.409
where: short stacking energy: -370.673
Base-Backbone interact. energy: -1.554
local terms energy: -441.720421
where:
bonds (distance) C4'-P energy: -106.656
bonds (distance) P-C4' energy: -81.007
flat angles C4'-P-C4' energy: -104.660
flat angles P-C4'-P energy: -51.141
tors. eta vs tors. theta energy: -98.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -766.036072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.036072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.036072 (E_RNA)
where:
Base-Base interactions energy: -438.040
where: short stacking energy: -209.038
Base-Backbone interact. energy: -0.810
local terms energy: -327.186085
where:
bonds (distance) C4'-P energy: -88.402
bonds (distance) P-C4' energy: -88.432
flat angles C4'-P-C4' energy: -79.613
flat angles P-C4'-P energy: -50.050
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -431.237033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.237033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.237033 (E_RNA)
where:
Base-Base interactions energy: -160.126
where: short stacking energy: -133.508
Base-Backbone interact. energy: -1.209
local terms energy: -269.902017
where:
bonds (distance) C4'-P energy: -85.007
bonds (distance) P-C4' energy: -90.967
flat angles C4'-P-C4' energy: -66.117
flat angles P-C4'-P energy: -41.713
tors. eta vs tors. theta energy: 13.902
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: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1908.857562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.857562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.857562 (E_RNA)
where:
Base-Base interactions energy: -1321.107
where: short stacking energy: -561.670
Base-Backbone interact. energy: -3.684
local terms energy: -584.066668
where:
bonds (distance) C4'-P energy: -116.205
bonds (distance) P-C4' energy: -93.695
flat angles C4'-P-C4' energy: -117.564
flat angles P-C4'-P energy: -86.630
tors. eta vs tors. theta energy: -169.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1842.799556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.799556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.799556 (E_RNA)
where:
Base-Base interactions energy: -1247.255
where: short stacking energy: -524.128
Base-Backbone interact. energy: -1.503
local terms energy: -594.041492
where:
bonds (distance) C4'-P energy: -108.829
bonds (distance) P-C4' energy: -109.884
flat angles C4'-P-C4' energy: -125.432
flat angles P-C4'-P energy: -83.504
tors. eta vs tors. theta energy: -166.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1727.261194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.261194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.261194 (E_RNA)
where:
Base-Base interactions energy: -1176.923
where: short stacking energy: -507.704
Base-Backbone interact. energy: -0.704
local terms energy: -549.634415
where:
bonds (distance) C4'-P energy: -107.930
bonds (distance) P-C4' energy: -98.751
flat angles C4'-P-C4' energy: -119.586
flat angles P-C4'-P energy: -70.505
tors. eta vs tors. theta energy: -152.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1617.509070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.509070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.509070 (E_RNA)
where:
Base-Base interactions energy: -1106.880
where: short stacking energy: -467.106
Base-Backbone interact. energy: 0.261
local terms energy: -510.890084
where:
bonds (distance) C4'-P energy: -107.156
bonds (distance) P-C4' energy: -97.909
flat angles C4'-P-C4' energy: -100.923
flat angles P-C4'-P energy: -83.104
tors. eta vs tors. theta energy: -121.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1561.992422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.992422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.992422 (E_RNA)
where:
Base-Base interactions energy: -1054.062
where: short stacking energy: -454.477
Base-Backbone interact. energy: -1.571
local terms energy: -506.358593
where:
bonds (distance) C4'-P energy: -104.522
bonds (distance) P-C4' energy: -86.949
flat angles C4'-P-C4' energy: -109.976
flat angles P-C4'-P energy: -80.314
tors. eta vs tors. theta energy: -124.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1469.085744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.085744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.085744 (E_RNA)
where:
Base-Base interactions energy: -1015.102
where: short stacking energy: -408.834
Base-Backbone interact. energy: -1.018
local terms energy: -452.965903
where:
bonds (distance) C4'-P energy: -81.716
bonds (distance) P-C4' energy: -100.104
flat angles C4'-P-C4' energy: -99.950
flat angles P-C4'-P energy: -65.350
tors. eta vs tors. theta energy: -105.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1443.793661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.793661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.793661 (E_RNA)
where:
Base-Base interactions energy: -1000.108
where: short stacking energy: -407.787
Base-Backbone interact. energy: -2.171
local terms energy: -441.515055
where:
bonds (distance) C4'-P energy: -89.674
bonds (distance) P-C4' energy: -87.963
flat angles C4'-P-C4' energy: -111.870
flat angles P-C4'-P energy: -53.505
tors. eta vs tors. theta energy: -98.503
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: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1277.212172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.212172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.212172 (E_RNA)
where:
Base-Base interactions energy: -856.829
where: short stacking energy: -356.205
Base-Backbone interact. energy: -0.331
local terms energy: -420.051444
where:
bonds (distance) C4'-P energy: -85.171
bonds (distance) P-C4' energy: -105.332
flat angles C4'-P-C4' energy: -92.121
flat angles P-C4'-P energy: -59.283
tors. eta vs tors. theta energy: -78.144
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: 347
Temperature: 1.300000
Total energy: -786.283238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.283238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.283238 (E_RNA)
where:
Base-Base interactions energy: -438.249
where: short stacking energy: -233.462
Base-Backbone interact. energy: -2.189
local terms energy: -345.845035
where:
bonds (distance) C4'-P energy: -81.536
bonds (distance) P-C4' energy: -86.314
flat angles C4'-P-C4' energy: -93.533
flat angles P-C4'-P energy: -56.037
tors. eta vs tors. theta energy: -28.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -475.637876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.637876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.637876 (E_RNA)
where:
Base-Base interactions energy: -144.202
where: short stacking energy: -114.969
Base-Backbone interact. energy: 4.764
local terms energy: -336.199378
where:
bonds (distance) C4'-P energy: -107.321
bonds (distance) P-C4' energy: -98.596
flat angles C4'-P-C4' energy: -79.648
flat angles P-C4'-P energy: -44.457
tors. eta vs tors. theta energy: -6.176
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: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1923.890374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.890374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.890374 (E_RNA)
where:
Base-Base interactions energy: -1343.808
where: short stacking energy: -593.149
Base-Backbone interact. energy: 1.057
local terms energy: -581.139286
where:
bonds (distance) C4'-P energy: -102.365
bonds (distance) P-C4' energy: -98.506
flat angles C4'-P-C4' energy: -123.288
flat angles P-C4'-P energy: -79.288
tors. eta vs tors. theta energy: -177.693
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: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1848.718713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.718713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.718713 (E_RNA)
where:
Base-Base interactions energy: -1256.685
where: short stacking energy: -548.382
Base-Backbone interact. energy: -0.535
local terms energy: -591.498558
where:
bonds (distance) C4'-P energy: -103.864
bonds (distance) P-C4' energy: -110.098
flat angles C4'-P-C4' energy: -131.647
flat angles P-C4'-P energy: -81.512
tors. eta vs tors. theta energy: -164.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1743.259259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.259259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.259259 (E_RNA)
where:
Base-Base interactions energy: -1221.693
where: short stacking energy: -525.091
Base-Backbone interact. energy: 3.091
local terms energy: -524.657333
where:
bonds (distance) C4'-P energy: -100.478
bonds (distance) P-C4' energy: -103.878
flat angles C4'-P-C4' energy: -114.038
flat angles P-C4'-P energy: -60.755
tors. eta vs tors. theta energy: -145.509
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: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1608.081743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.081743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.081743 (E_RNA)
where:
Base-Base interactions energy: -1087.796
where: short stacking energy: -469.391
Base-Backbone interact. energy: -2.096
local terms energy: -518.190487
where:
bonds (distance) C4'-P energy: -97.453
bonds (distance) P-C4' energy: -108.755
flat angles C4'-P-C4' energy: -113.181
flat angles P-C4'-P energy: -79.536
tors. eta vs tors. theta energy: -119.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1602.949126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.949126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.949126 (E_RNA)
where:
Base-Base interactions energy: -1095.602
where: short stacking energy: -479.695
Base-Backbone interact. energy: -0.565
local terms energy: -506.782525
where:
bonds (distance) C4'-P energy: -104.167
bonds (distance) P-C4' energy: -90.917
flat angles C4'-P-C4' energy: -112.066
flat angles P-C4'-P energy: -74.381
tors. eta vs tors. theta energy: -125.251
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: 6, replica: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1523.481492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.481492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.481492 (E_RNA)
where:
Base-Base interactions energy: -1057.794
where: short stacking energy: -434.887
Base-Backbone interact. energy: -1.364
local terms energy: -464.323249
where:
bonds (distance) C4'-P energy: -87.992
bonds (distance) P-C4' energy: -98.825
flat angles C4'-P-C4' energy: -97.008
flat angles P-C4'-P energy: -69.119
tors. eta vs tors. theta energy: -111.379
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: 7, replica: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1454.501166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.501166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.501166 (E_RNA)
where:
Base-Base interactions energy: -975.871
where: short stacking energy: -405.401
Base-Backbone interact. energy: -1.864
local terms energy: -476.766421
where:
bonds (distance) C4'-P energy: -103.504
bonds (distance) P-C4' energy: -95.351
flat angles C4'-P-C4' energy: -105.280
flat angles P-C4'-P energy: -74.949
tors. eta vs tors. theta energy: -97.682
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: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1304.395672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.395672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.395672 (E_RNA)
where:
Base-Base interactions energy: -860.752
where: short stacking energy: -377.153
Base-Backbone interact. energy: -1.112
local terms energy: -442.531821
where:
bonds (distance) C4'-P energy: -92.258
bonds (distance) P-C4' energy: -98.584
flat angles C4'-P-C4' energy: -101.938
flat angles P-C4'-P energy: -54.840
tors. eta vs tors. theta energy: -94.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -807.940814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.940814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.940814 (E_RNA)
where:
Base-Base interactions energy: -460.515
where: short stacking energy: -257.172
Base-Backbone interact. energy: 1.980
local terms energy: -349.405789
where:
bonds (distance) C4'-P energy: -100.081
bonds (distance) P-C4' energy: -92.608
flat angles C4'-P-C4' energy: -93.511
flat angles P-C4'-P energy: -24.135
tors. eta vs tors. theta energy: -39.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -410.587203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.587203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.587203 (E_RNA)
where:
Base-Base interactions energy: -143.302
where: short stacking energy: -112.649
Base-Backbone interact. energy: 1.754
local terms energy: -269.038806
where:
bonds (distance) C4'-P energy: -88.786
bonds (distance) P-C4' energy: -87.067
flat angles C4'-P-C4' energy: -74.783
flat angles P-C4'-P energy: -43.145
tors. eta vs tors. theta energy: 24.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1932.990047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.990047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.990047 (E_RNA)
where:
Base-Base interactions energy: -1341.509
where: short stacking energy: -576.305
Base-Backbone interact. energy: -2.299
local terms energy: -589.182786
where:
bonds (distance) C4'-P energy: -105.027
bonds (distance) P-C4' energy: -114.793
flat angles C4'-P-C4' energy: -124.867
flat angles P-C4'-P energy: -74.531
tors. eta vs tors. theta energy: -169.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1851.327115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.327115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.327115 (E_RNA)
where:
Base-Base interactions energy: -1260.552
where: short stacking energy: -538.659
Base-Backbone interact. energy: -1.114
local terms energy: -589.660870
where:
bonds (distance) C4'-P energy: -96.355
bonds (distance) P-C4' energy: -119.318
flat angles C4'-P-C4' energy: -126.142
flat angles P-C4'-P energy: -81.156
tors. eta vs tors. theta energy: -166.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1750.393841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.393841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.393841 (E_RNA)
where:
Base-Base interactions energy: -1219.891
where: short stacking energy: -518.817
Base-Backbone interact. energy: -0.670
local terms energy: -529.832787
where:
bonds (distance) C4'-P energy: -88.668
bonds (distance) P-C4' energy: -99.607
flat angles C4'-P-C4' energy: -116.405
flat angles P-C4'-P energy: -76.910
tors. eta vs tors. theta energy: -148.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1679.743079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.743079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.743079 (E_RNA)
where:
Base-Base interactions energy: -1167.926
where: short stacking energy: -482.440
Base-Backbone interact. energy: -4.288
local terms energy: -507.529372
where:
bonds (distance) C4'-P energy: -94.937
bonds (distance) P-C4' energy: -104.832
flat angles C4'-P-C4' energy: -111.011
flat angles P-C4'-P energy: -64.796
tors. eta vs tors. theta energy: -131.954
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: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1561.612306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.612306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.612306 (E_RNA)
where:
Base-Base interactions energy: -1068.579
where: short stacking energy: -463.627
Base-Backbone interact. energy: -3.226
local terms energy: -489.807018
where:
bonds (distance) C4'-P energy: -93.763
bonds (distance) P-C4' energy: -89.745
flat angles C4'-P-C4' energy: -112.066
flat angles P-C4'-P energy: -72.294
tors. eta vs tors. theta energy: -121.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1530.506304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.506304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.506304 (E_RNA)
where:
Base-Base interactions energy: -1032.754
where: short stacking energy: -444.358
Base-Backbone interact. energy: -2.892
local terms energy: -494.861096
where:
bonds (distance) C4'-P energy: -88.799
bonds (distance) P-C4' energy: -95.824
flat angles C4'-P-C4' energy: -95.029
flat angles P-C4'-P energy: -85.144
tors. eta vs tors. theta energy: -130.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1440.550047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.550047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.550047 (E_RNA)
where:
Base-Base interactions energy: -1020.073
where: short stacking energy: -423.349
Base-Backbone interact. energy: 0.665
local terms energy: -421.142186
where:
bonds (distance) C4'-P energy: -80.864
bonds (distance) P-C4' energy: -87.409
flat angles C4'-P-C4' energy: -97.449
flat angles P-C4'-P energy: -52.554
tors. eta vs tors. theta energy: -102.867
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: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1296.502976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.502976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.502976 (E_RNA)
where:
Base-Base interactions energy: -881.855
where: short stacking energy: -368.711
Base-Backbone interact. energy: -0.977
local terms energy: -413.670689
where:
bonds (distance) C4'-P energy: -88.088
bonds (distance) P-C4' energy: -80.427
flat angles C4'-P-C4' energy: -109.245
flat angles P-C4'-P energy: -42.924
tors. eta vs tors. theta energy: -92.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -754.307713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.307713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.307713 (E_RNA)
where:
Base-Base interactions energy: -425.957
where: short stacking energy: -226.117
Base-Backbone interact. energy: -1.419
local terms energy: -326.931073
where:
bonds (distance) C4'-P energy: -66.129
bonds (distance) P-C4' energy: -95.965
flat angles C4'-P-C4' energy: -88.804
flat angles P-C4'-P energy: -49.965
tors. eta vs tors. theta energy: -26.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -427.585613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.585613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.585613 (E_RNA)
where:
Base-Base interactions energy: -135.775
where: short stacking energy: -119.066
Base-Backbone interact. energy: -0.010
local terms energy: -291.800971
where:
bonds (distance) C4'-P energy: -82.950
bonds (distance) P-C4' energy: -108.419
flat angles C4'-P-C4' energy: -70.781
flat angles P-C4'-P energy: -46.411
tors. eta vs tors. theta energy: 16.760
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: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1946.661209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.661209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.661209 (E_RNA)
where:
Base-Base interactions energy: -1356.299
where: short stacking energy: -596.079
Base-Backbone interact. energy: -0.391
local terms energy: -589.971820
where:
bonds (distance) C4'-P energy: -102.791
bonds (distance) P-C4' energy: -110.879
flat angles C4'-P-C4' energy: -125.005
flat angles P-C4'-P energy: -78.887
tors. eta vs tors. theta energy: -172.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1830.599768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.599768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.599768 (E_RNA)
where:
Base-Base interactions energy: -1256.463
where: short stacking energy: -523.532
Base-Backbone interact. energy: -1.267
local terms energy: -572.869896
where:
bonds (distance) C4'-P energy: -116.592
bonds (distance) P-C4' energy: -111.017
flat angles C4'-P-C4' energy: -117.390
flat angles P-C4'-P energy: -76.008
tors. eta vs tors. theta energy: -151.863
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: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1777.792103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.792103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.792103 (E_RNA)
where:
Base-Base interactions energy: -1231.568
where: short stacking energy: -533.432
Base-Backbone interact. energy: -3.583
local terms energy: -542.641768
where:
bonds (distance) C4'-P energy: -97.316
bonds (distance) P-C4' energy: -94.578
flat angles C4'-P-C4' energy: -121.738
flat angles P-C4'-P energy: -81.734
tors. eta vs tors. theta energy: -147.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1646.736503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.736503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.736503 (E_RNA)
where:
Base-Base interactions energy: -1105.803
where: short stacking energy: -487.851
Base-Backbone interact. energy: -2.452
local terms energy: -538.481520
where:
bonds (distance) C4'-P energy: -110.692
bonds (distance) P-C4' energy: -111.231
flat angles C4'-P-C4' energy: -118.621
flat angles P-C4'-P energy: -67.441
tors. eta vs tors. theta energy: -130.496
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: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1587.530453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.530453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.530453 (E_RNA)
where:
Base-Base interactions energy: -1090.520
where: short stacking energy: -473.966
Base-Backbone interact. energy: -0.948
local terms energy: -496.062039
where:
bonds (distance) C4'-P energy: -93.243
bonds (distance) P-C4' energy: -90.260
flat angles C4'-P-C4' energy: -113.256
flat angles P-C4'-P energy: -72.808
tors. eta vs tors. theta energy: -126.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1518.199571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.199571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.199571 (E_RNA)
where:
Base-Base interactions energy: -1034.302
where: short stacking energy: -441.958
Base-Backbone interact. energy: 1.825
local terms energy: -485.721817
where:
bonds (distance) C4'-P energy: -96.394
bonds (distance) P-C4' energy: -84.449
flat angles C4'-P-C4' energy: -104.882
flat angles P-C4'-P energy: -70.108
tors. eta vs tors. theta energy: -129.889
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: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1381.112343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.112343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.112343 (E_RNA)
where:
Base-Base interactions energy: -935.975
where: short stacking energy: -402.444
Base-Backbone interact. energy: -2.138
local terms energy: -442.999341
where:
bonds (distance) C4'-P energy: -82.268
bonds (distance) P-C4' energy: -107.171
flat angles C4'-P-C4' energy: -104.141
flat angles P-C4'-P energy: -58.133
tors. eta vs tors. theta energy: -91.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1309.997454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.997454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.997454 (E_RNA)
where:
Base-Base interactions energy: -871.618
where: short stacking energy: -375.778
Base-Backbone interact. energy: -0.187
local terms energy: -438.192085
where:
bonds (distance) C4'-P energy: -100.459
bonds (distance) P-C4' energy: -91.163
flat angles C4'-P-C4' energy: -102.107
flat angles P-C4'-P energy: -52.698
tors. eta vs tors. theta energy: -91.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -761.596222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.596222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.596222 (E_RNA)
where:
Base-Base interactions energy: -458.661
where: short stacking energy: -210.028
Base-Backbone interact. energy: -3.562
local terms energy: -299.373177
where:
bonds (distance) C4'-P energy: -64.601
bonds (distance) P-C4' energy: -77.731
flat angles C4'-P-C4' energy: -89.166
flat angles P-C4'-P energy: -54.541
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -422.867368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.867368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.867368 (E_RNA)
where:
Base-Base interactions energy: -151.329
where: short stacking energy: -123.388
Base-Backbone interact. energy: 1.668
local terms energy: -273.206495
where:
bonds (distance) C4'-P energy: -82.009
bonds (distance) P-C4' energy: -87.984
flat angles C4'-P-C4' energy: -69.830
flat angles P-C4'-P energy: -44.476
tors. eta vs tors. theta energy: 11.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1921.354656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.354656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.354656 (E_RNA)
where:
Base-Base interactions energy: -1306.438
where: short stacking energy: -578.499
Base-Backbone interact. energy: -2.448
local terms energy: -612.468958
where:
bonds (distance) C4'-P energy: -104.243
bonds (distance) P-C4' energy: -106.367
flat angles C4'-P-C4' energy: -127.435
flat angles P-C4'-P energy: -95.595
tors. eta vs tors. theta energy: -178.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1854.693324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.693324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.693324 (E_RNA)
where:
Base-Base interactions energy: -1276.687
where: short stacking energy: -559.215
Base-Backbone interact. energy: -2.669
local terms energy: -575.336909
where:
bonds (distance) C4'-P energy: -96.627
bonds (distance) P-C4' energy: -96.157
flat angles C4'-P-C4' energy: -122.332
flat angles P-C4'-P energy: -94.067
tors. eta vs tors. theta energy: -166.154
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: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1766.383028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.383028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.383028 (E_RNA)
where:
Base-Base interactions energy: -1214.627
where: short stacking energy: -543.675
Base-Backbone interact. energy: -2.510
local terms energy: -549.245935
where:
bonds (distance) C4'-P energy: -87.559
bonds (distance) P-C4' energy: -109.027
flat angles C4'-P-C4' energy: -117.538
flat angles P-C4'-P energy: -78.560
tors. eta vs tors. theta energy: -156.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1658.752647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.752647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.752647 (E_RNA)
where:
Base-Base interactions energy: -1146.008
where: short stacking energy: -475.808
Base-Backbone interact. energy: -1.215
local terms energy: -511.529879
where:
bonds (distance) C4'-P energy: -102.584
bonds (distance) P-C4' energy: -89.973
flat angles C4'-P-C4' energy: -118.174
flat angles P-C4'-P energy: -68.670
tors. eta vs tors. theta energy: -132.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1580.174545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.174545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.174545 (E_RNA)
where:
Base-Base interactions energy: -1064.192
where: short stacking energy: -459.371
Base-Backbone interact. energy: -0.657
local terms energy: -515.325774
where:
bonds (distance) C4'-P energy: -106.394
bonds (distance) P-C4' energy: -105.535
flat angles C4'-P-C4' energy: -98.136
flat angles P-C4'-P energy: -78.484
tors. eta vs tors. theta energy: -126.776
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: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1535.132331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.132331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.132331 (E_RNA)
where:
Base-Base interactions energy: -1050.983
where: short stacking energy: -457.234
Base-Backbone interact. energy: 0.176
local terms energy: -484.325382
where:
bonds (distance) C4'-P energy: -87.563
bonds (distance) P-C4' energy: -99.893
flat angles C4'-P-C4' energy: -104.214
flat angles P-C4'-P energy: -69.323
tors. eta vs tors. theta energy: -123.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1395.037936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.037936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.037936 (E_RNA)
where:
Base-Base interactions energy: -930.368
where: short stacking energy: -403.513
Base-Backbone interact. energy: -0.986
local terms energy: -463.684262
where:
bonds (distance) C4'-P energy: -102.075
bonds (distance) P-C4' energy: -103.133
flat angles C4'-P-C4' energy: -93.679
flat angles P-C4'-P energy: -63.747
tors. eta vs tors. theta energy: -101.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1315.684739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.684739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.684739 (E_RNA)
where:
Base-Base interactions energy: -872.915
where: short stacking energy: -378.185
Base-Backbone interact. energy: -1.679
local terms energy: -441.091296
where:
bonds (distance) C4'-P energy: -99.478
bonds (distance) P-C4' energy: -95.143
flat angles C4'-P-C4' energy: -90.261
flat angles P-C4'-P energy: -66.984
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: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -777.982672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.982672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.982672 (E_RNA)
where:
Base-Base interactions energy: -439.341
where: short stacking energy: -208.541
Base-Backbone interact. energy: -0.030
local terms energy: -338.611978
where:
bonds (distance) C4'-P energy: -77.968
bonds (distance) P-C4' energy: -91.984
flat angles C4'-P-C4' energy: -84.844
flat angles P-C4'-P energy: -58.303
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: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -449.253167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.253167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.253167 (E_RNA)
where:
Base-Base interactions energy: -156.353
where: short stacking energy: -135.340
Base-Backbone interact. energy: 0.416
local terms energy: -293.316180
where:
bonds (distance) C4'-P energy: -93.809
bonds (distance) P-C4' energy: -96.715
flat angles C4'-P-C4' energy: -84.615
flat angles P-C4'-P energy: -38.369
tors. eta vs tors. theta energy: 20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1948.877628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.877628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.877628 (E_RNA)
where:
Base-Base interactions energy: -1319.011
where: short stacking energy: -590.621
Base-Backbone interact. energy: -3.459
local terms energy: -626.407731
where:
bonds (distance) C4'-P energy: -109.631
bonds (distance) P-C4' energy: -114.447
flat angles C4'-P-C4' energy: -131.058
flat angles P-C4'-P energy: -92.485
tors. eta vs tors. theta energy: -178.786
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: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1856.123203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.123203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.123203 (E_RNA)
where:
Base-Base interactions energy: -1279.764
where: short stacking energy: -553.195
Base-Backbone interact. energy: -0.955
local terms energy: -575.403784
where:
bonds (distance) C4'-P energy: -102.334
bonds (distance) P-C4' energy: -110.159
flat angles C4'-P-C4' energy: -123.172
flat angles P-C4'-P energy: -76.593
tors. eta vs tors. theta energy: -163.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1733.444167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.444167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.444167 (E_RNA)
where:
Base-Base interactions energy: -1187.944
where: short stacking energy: -530.710
Base-Backbone interact. energy: -1.997
local terms energy: -543.503658
where:
bonds (distance) C4'-P energy: -99.862
bonds (distance) P-C4' energy: -110.456
flat angles C4'-P-C4' energy: -108.263
flat angles P-C4'-P energy: -75.710
tors. eta vs tors. theta energy: -149.212
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: 10
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1644.237958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.237958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.237958 (E_RNA)
where:
Base-Base interactions energy: -1130.066
where: short stacking energy: -490.587
Base-Backbone interact. energy: -5.205
local terms energy: -508.967310
where:
bonds (distance) C4'-P energy: -88.898
bonds (distance) P-C4' energy: -95.945
flat angles C4'-P-C4' energy: -115.339
flat angles P-C4'-P energy: -82.968
tors. eta vs tors. theta energy: -125.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1588.173149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.173149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.173149 (E_RNA)
where:
Base-Base interactions energy: -1079.320
where: short stacking energy: -468.489
Base-Backbone interact. energy: -0.401
local terms energy: -508.451879
where:
bonds (distance) C4'-P energy: -88.870
bonds (distance) P-C4' energy: -113.606
flat angles C4'-P-C4' energy: -107.351
flat angles P-C4'-P energy: -72.939
tors. eta vs tors. theta energy: -125.685
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: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1532.364058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.364058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.364058 (E_RNA)
where:
Base-Base interactions energy: -1055.688
where: short stacking energy: -463.423
Base-Backbone interact. energy: -0.137
local terms energy: -476.539915
where:
bonds (distance) C4'-P energy: -79.984
bonds (distance) P-C4' energy: -90.532
flat angles C4'-P-C4' energy: -100.275
flat angles P-C4'-P energy: -66.870
tors. eta vs tors. theta energy: -138.880
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: 352
Temperature: 1.200000
Total energy: -1416.281168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.281168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.281168 (E_RNA)
where:
Base-Base interactions energy: -956.344
where: short stacking energy: -427.003
Base-Backbone interact. energy: 1.163
local terms energy: -461.100469
where:
bonds (distance) C4'-P energy: -98.444
bonds (distance) P-C4' energy: -93.127
flat angles C4'-P-C4' energy: -96.537
flat angles P-C4'-P energy: -56.178
tors. eta vs tors. theta energy: -116.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1268.559815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.559815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.559815 (E_RNA)
where:
Base-Base interactions energy: -857.857
where: short stacking energy: -357.223
Base-Backbone interact. energy: -1.336
local terms energy: -409.366592
where:
bonds (distance) C4'-P energy: -95.780
bonds (distance) P-C4' energy: -75.095
flat angles C4'-P-C4' energy: -94.222
flat angles P-C4'-P energy: -59.164
tors. eta vs tors. theta energy: -85.106
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: 352
Temperature: 1.300000
Total energy: -791.796749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.796749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.796749 (E_RNA)
where:
Base-Base interactions energy: -466.443
where: short stacking energy: -232.446
Base-Backbone interact. energy: 0.205
local terms energy: -325.558663
where:
bonds (distance) C4'-P energy: -76.469
bonds (distance) P-C4' energy: -94.387
flat angles C4'-P-C4' energy: -81.172
flat angles P-C4'-P energy: -49.943
tors. eta vs tors. theta energy: -23.587
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: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -459.870534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.870534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.870534 (E_RNA)
where:
Base-Base interactions energy: -161.362
where: short stacking energy: -142.838
Base-Backbone interact. energy: 3.413
local terms energy: -301.921366
where:
bonds (distance) C4'-P energy: -88.600
bonds (distance) P-C4' energy: -90.975
flat angles C4'-P-C4' energy: -95.864
flat angles P-C4'-P energy: -40.940
tors. eta vs tors. theta energy: 14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1924.040148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.040148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.040148 (E_RNA)
where:
Base-Base interactions energy: -1300.984
where: short stacking energy: -562.654
Base-Backbone interact. energy: -2.803
local terms energy: -620.252801
where:
bonds (distance) C4'-P energy: -114.971
bonds (distance) P-C4' energy: -108.920
flat angles C4'-P-C4' energy: -125.196
flat angles P-C4'-P energy: -96.416
tors. eta vs tors. theta energy: -174.749
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: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1875.067510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.067510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.067510 (E_RNA)
where:
Base-Base interactions energy: -1282.379
where: short stacking energy: -563.534
Base-Backbone interact. energy: -3.234
local terms energy: -589.454638
where:
bonds (distance) C4'-P energy: -95.734
bonds (distance) P-C4' energy: -109.688
flat angles C4'-P-C4' energy: -118.779
flat angles P-C4'-P energy: -88.587
tors. eta vs tors. theta energy: -176.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1752.949767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.949767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.949767 (E_RNA)
where:
Base-Base interactions energy: -1212.595
where: short stacking energy: -525.990
Base-Backbone interact. energy: -0.615
local terms energy: -539.739557
where:
bonds (distance) C4'-P energy: -93.131
bonds (distance) P-C4' energy: -99.854
flat angles C4'-P-C4' energy: -114.523
flat angles P-C4'-P energy: -77.767
tors. eta vs tors. theta energy: -154.465
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: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1640.778509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.778509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.778509 (E_RNA)
where:
Base-Base interactions energy: -1104.645
where: short stacking energy: -493.345
Base-Backbone interact. energy: -2.729
local terms energy: -533.403872
where:
bonds (distance) C4'-P energy: -99.900
bonds (distance) P-C4' energy: -93.871
flat angles C4'-P-C4' energy: -121.273
flat angles P-C4'-P energy: -75.768
tors. eta vs tors. theta energy: -142.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1568.250549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.250549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.250549 (E_RNA)
where:
Base-Base interactions energy: -1061.567
where: short stacking energy: -441.410
Base-Backbone interact. energy: -0.684
local terms energy: -506.000308
where:
bonds (distance) C4'-P energy: -100.716
bonds (distance) P-C4' energy: -95.187
flat angles C4'-P-C4' energy: -120.589
flat angles P-C4'-P energy: -70.936
tors. eta vs tors. theta energy: -118.572
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: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1553.647317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.647317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.647317 (E_RNA)
where:
Base-Base interactions energy: -1068.193
where: short stacking energy: -457.481
Base-Backbone interact. energy: -1.405
local terms energy: -484.049763
where:
bonds (distance) C4'-P energy: -84.288
bonds (distance) P-C4' energy: -96.032
flat angles C4'-P-C4' energy: -102.998
flat angles P-C4'-P energy: -74.285
tors. eta vs tors. theta energy: -126.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1383.843660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.843660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.843660 (E_RNA)
where:
Base-Base interactions energy: -936.753
where: short stacking energy: -388.571
Base-Backbone interact. energy: 0.245
local terms energy: -447.335739
where:
bonds (distance) C4'-P energy: -98.526
bonds (distance) P-C4' energy: -103.757
flat angles C4'-P-C4' energy: -102.502
flat angles P-C4'-P energy: -48.746
tors. eta vs tors. theta energy: -93.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1231.490373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.490373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.490373 (E_RNA)
where:
Base-Base interactions energy: -788.256
where: short stacking energy: -329.050
Base-Backbone interact. energy: 1.713
local terms energy: -444.947742
where:
bonds (distance) C4'-P energy: -108.381
bonds (distance) P-C4' energy: -99.448
flat angles C4'-P-C4' energy: -97.621
flat angles P-C4'-P energy: -65.886
tors. eta vs tors. theta energy: -73.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -767.330826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.330826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.330826 (E_RNA)
where:
Base-Base interactions energy: -442.295
where: short stacking energy: -232.997
Base-Backbone interact. energy: 2.053
local terms energy: -327.089126
where:
bonds (distance) C4'-P energy: -85.471
bonds (distance) P-C4' energy: -86.367
flat angles C4'-P-C4' energy: -67.584
flat angles P-C4'-P energy: -64.530
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -448.377473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.377473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.377473 (E_RNA)
where:
Base-Base interactions energy: -204.134
where: short stacking energy: -134.894
Base-Backbone interact. energy: 1.077
local terms energy: -245.320726
where:
bonds (distance) C4'-P energy: -79.865
bonds (distance) P-C4' energy: -68.114
flat angles C4'-P-C4' energy: -80.305
flat angles P-C4'-P energy: -43.245
tors. eta vs tors. theta energy: 26.208
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: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1915.859543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.859543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.859543 (E_RNA)
where:
Base-Base interactions energy: -1318.483
where: short stacking energy: -569.556
Base-Backbone interact. energy: -0.439
local terms energy: -596.937810
where:
bonds (distance) C4'-P energy: -113.077
bonds (distance) P-C4' energy: -104.483
flat angles C4'-P-C4' energy: -122.931
flat angles P-C4'-P energy: -81.486
tors. eta vs tors. theta energy: -174.961
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: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1854.270019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.270019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.270019 (E_RNA)
where:
Base-Base interactions energy: -1275.690
where: short stacking energy: -566.279
Base-Backbone interact. energy: -2.266
local terms energy: -576.314665
where:
bonds (distance) C4'-P energy: -101.902
bonds (distance) P-C4' energy: -100.812
flat angles C4'-P-C4' energy: -121.738
flat angles P-C4'-P energy: -78.000
tors. eta vs tors. theta energy: -173.863
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: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1696.977091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.977091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.977091 (E_RNA)
where:
Base-Base interactions energy: -1150.460
where: short stacking energy: -507.980
Base-Backbone interact. energy: -1.437
local terms energy: -545.080236
where:
bonds (distance) C4'-P energy: -103.815
bonds (distance) P-C4' energy: -100.119
flat angles C4'-P-C4' energy: -119.707
flat angles P-C4'-P energy: -77.820
tors. eta vs tors. theta energy: -143.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1626.514691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.514691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.514691 (E_RNA)
where:
Base-Base interactions energy: -1102.778
where: short stacking energy: -476.997
Base-Backbone interact. energy: 0.007
local terms energy: -523.743952
where:
bonds (distance) C4'-P energy: -95.669
bonds (distance) P-C4' energy: -104.439
flat angles C4'-P-C4' energy: -115.268
flat angles P-C4'-P energy: -68.861
tors. eta vs tors. theta energy: -139.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1574.118818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.118818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.118818 (E_RNA)
where:
Base-Base interactions energy: -1057.028
where: short stacking energy: -473.967
Base-Backbone interact. energy: -3.125
local terms energy: -513.965938
where:
bonds (distance) C4'-P energy: -95.822
bonds (distance) P-C4' energy: -108.092
flat angles C4'-P-C4' energy: -102.975
flat angles P-C4'-P energy: -76.608
tors. eta vs tors. theta energy: -130.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1531.316430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.316430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.316430 (E_RNA)
where:
Base-Base interactions energy: -1015.423
where: short stacking energy: -450.157
Base-Backbone interact. energy: -0.035
local terms energy: -515.859188
where:
bonds (distance) C4'-P energy: -94.690
bonds (distance) P-C4' energy: -100.436
flat angles C4'-P-C4' energy: -114.688
flat angles P-C4'-P energy: -75.753
tors. eta vs tors. theta energy: -130.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1367.814943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.814943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.814943 (E_RNA)
where:
Base-Base interactions energy: -926.194
where: short stacking energy: -394.373
Base-Backbone interact. energy: -1.152
local terms energy: -440.468918
where:
bonds (distance) C4'-P energy: -71.686
bonds (distance) P-C4' energy: -106.707
flat angles C4'-P-C4' energy: -91.027
flat angles P-C4'-P energy: -80.088
tors. eta vs tors. theta energy: -90.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1261.176785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.176785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.176785 (E_RNA)
where:
Base-Base interactions energy: -838.812
where: short stacking energy: -363.194
Base-Backbone interact. energy: 2.587
local terms energy: -424.952002
where:
bonds (distance) C4'-P energy: -72.129
bonds (distance) P-C4' energy: -111.992
flat angles C4'-P-C4' energy: -106.982
flat angles P-C4'-P energy: -56.653
tors. eta vs tors. theta energy: -77.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -728.157852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.157852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.157852 (E_RNA)
where:
Base-Base interactions energy: -390.855
where: short stacking energy: -200.689
Base-Backbone interact. energy: 0.490
local terms energy: -337.792757
where:
bonds (distance) C4'-P energy: -95.196
bonds (distance) P-C4' energy: -106.364
flat angles C4'-P-C4' energy: -66.038
flat angles P-C4'-P energy: -43.956
tors. eta vs tors. theta energy: -26.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -438.003025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.003025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.003025 (E_RNA)
where:
Base-Base interactions energy: -167.688
where: short stacking energy: -146.233
Base-Backbone interact. energy: 0.843
local terms energy: -271.157757
where:
bonds (distance) C4'-P energy: -86.744
bonds (distance) P-C4' energy: -82.728
flat angles C4'-P-C4' energy: -78.246
flat angles P-C4'-P energy: -43.839
tors. eta vs tors. theta energy: 20.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1918.563657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.563657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.563657 (E_RNA)
where:
Base-Base interactions energy: -1322.547
where: short stacking energy: -560.537
Base-Backbone interact. energy: 1.328
local terms energy: -597.344685
where:
bonds (distance) C4'-P energy: -113.709
bonds (distance) P-C4' energy: -112.154
flat angles C4'-P-C4' energy: -120.581
flat angles P-C4'-P energy: -76.494
tors. eta vs tors. theta energy: -174.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1887.475619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.475619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.475619 (E_RNA)
where:
Base-Base interactions energy: -1299.328
where: short stacking energy: -568.553
Base-Backbone interact. energy: -0.991
local terms energy: -587.156433
where:
bonds (distance) C4'-P energy: -105.213
bonds (distance) P-C4' energy: -112.466
flat angles C4'-P-C4' energy: -113.547
flat angles P-C4'-P energy: -82.311
tors. eta vs tors. theta energy: -173.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1693.101902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.101902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.101902 (E_RNA)
where:
Base-Base interactions energy: -1170.441
where: short stacking energy: -504.233
Base-Backbone interact. energy: 3.053
local terms energy: -525.714360
where:
bonds (distance) C4'-P energy: -98.615
bonds (distance) P-C4' energy: -95.921
flat angles C4'-P-C4' energy: -111.486
flat angles P-C4'-P energy: -73.581
tors. eta vs tors. theta energy: -146.111
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: 4, replica: 10
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1638.017599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.017599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.017599 (E_RNA)
where:
Base-Base interactions energy: -1127.138
where: short stacking energy: -486.134
Base-Backbone interact. energy: -2.929
local terms energy: -507.950557
where:
bonds (distance) C4'-P energy: -105.948
bonds (distance) P-C4' energy: -108.576
flat angles C4'-P-C4' energy: -104.098
flat angles P-C4'-P energy: -71.208
tors. eta vs tors. theta energy: -118.119
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: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1602.743652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.743652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.743652 (E_RNA)
where:
Base-Base interactions energy: -1071.352
where: short stacking energy: -462.108
Base-Backbone interact. energy: -2.549
local terms energy: -528.842186
where:
bonds (distance) C4'-P energy: -111.204
bonds (distance) P-C4' energy: -103.325
flat angles C4'-P-C4' energy: -112.871
flat angles P-C4'-P energy: -72.507
tors. eta vs tors. theta energy: -128.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1518.264480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.264480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.264480 (E_RNA)
where:
Base-Base interactions energy: -1048.234
where: short stacking energy: -441.283
Base-Backbone interact. energy: -3.239
local terms energy: -466.791326
where:
bonds (distance) C4'-P energy: -72.638
bonds (distance) P-C4' energy: -95.283
flat angles C4'-P-C4' energy: -109.221
flat angles P-C4'-P energy: -66.539
tors. eta vs tors. theta energy: -123.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1351.798050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.798050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.798050 (E_RNA)
where:
Base-Base interactions energy: -933.964
where: short stacking energy: -378.716
Base-Backbone interact. energy: -3.076
local terms energy: -414.758058
where:
bonds (distance) C4'-P energy: -82.871
bonds (distance) P-C4' energy: -98.876
flat angles C4'-P-C4' energy: -98.685
flat angles P-C4'-P energy: -59.329
tors. eta vs tors. theta energy: -74.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1272.826310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.826310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.826310 (E_RNA)
where:
Base-Base interactions energy: -855.565
where: short stacking energy: -364.301
Base-Backbone interact. energy: 3.015
local terms energy: -420.276683
where:
bonds (distance) C4'-P energy: -85.957
bonds (distance) P-C4' energy: -86.156
flat angles C4'-P-C4' energy: -100.034
flat angles P-C4'-P energy: -60.879
tors. eta vs tors. theta energy: -87.249
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: 355
Temperature: 1.300000
Total energy: -753.712051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.712051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.712051 (E_RNA)
where:
Base-Base interactions energy: -410.708
where: short stacking energy: -218.531
Base-Backbone interact. energy: -0.424
local terms energy: -342.580220
where:
bonds (distance) C4'-P energy: -94.339
bonds (distance) P-C4' energy: -77.751
flat angles C4'-P-C4' energy: -92.399
flat angles P-C4'-P energy: -61.295
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -428.480860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.480860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.480860 (E_RNA)
where:
Base-Base interactions energy: -158.368
where: short stacking energy: -139.265
Base-Backbone interact. energy: 1.749
local terms energy: -271.861248
where:
bonds (distance) C4'-P energy: -76.017
bonds (distance) P-C4' energy: -93.506
flat angles C4'-P-C4' energy: -75.614
flat angles P-C4'-P energy: -46.136
tors. eta vs tors. theta energy: 19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1890.303644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.303644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.303644 (E_RNA)
where:
Base-Base interactions energy: -1288.187
where: short stacking energy: -540.553
Base-Backbone interact. energy: -3.040
local terms energy: -599.076629
where:
bonds (distance) C4'-P energy: -109.096
bonds (distance) P-C4' energy: -105.022
flat angles C4'-P-C4' energy: -131.242
flat angles P-C4'-P energy: -84.906
tors. eta vs tors. theta energy: -168.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1863.434082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.434082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.434082 (E_RNA)
where:
Base-Base interactions energy: -1296.241
where: short stacking energy: -556.611
Base-Backbone interact. energy: -1.019
local terms energy: -566.173527
where:
bonds (distance) C4'-P energy: -98.399
bonds (distance) P-C4' energy: -99.682
flat angles C4'-P-C4' energy: -124.460
flat angles P-C4'-P energy: -74.898
tors. eta vs tors. theta energy: -168.735
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: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1695.927074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.927074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.927074 (E_RNA)
where:
Base-Base interactions energy: -1137.869
where: short stacking energy: -508.605
Base-Backbone interact. energy: -1.627
local terms energy: -556.430993
where:
bonds (distance) C4'-P energy: -111.704
bonds (distance) P-C4' energy: -114.144
flat angles C4'-P-C4' energy: -113.887
flat angles P-C4'-P energy: -74.474
tors. eta vs tors. theta energy: -142.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1636.284575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.284575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.284575 (E_RNA)
where:
Base-Base interactions energy: -1129.058
where: short stacking energy: -486.001
Base-Backbone interact. energy: -4.345
local terms energy: -502.881728
where:
bonds (distance) C4'-P energy: -89.860
bonds (distance) P-C4' energy: -94.737
flat angles C4'-P-C4' energy: -109.599
flat angles P-C4'-P energy: -77.643
tors. eta vs tors. theta energy: -131.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1577.131321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.131321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.131321 (E_RNA)
where:
Base-Base interactions energy: -1056.939
where: short stacking energy: -459.792
Base-Backbone interact. energy: -0.372
local terms energy: -519.819923
where:
bonds (distance) C4'-P energy: -111.220
bonds (distance) P-C4' energy: -104.082
flat angles C4'-P-C4' energy: -117.368
flat angles P-C4'-P energy: -62.665
tors. eta vs tors. theta energy: -124.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1573.850630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.850630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.850630 (E_RNA)
where:
Base-Base interactions energy: -1068.497
where: short stacking energy: -472.571
Base-Backbone interact. energy: -2.286
local terms energy: -503.067792
where:
bonds (distance) C4'-P energy: -83.109
bonds (distance) P-C4' energy: -93.303
flat angles C4'-P-C4' energy: -117.237
flat angles P-C4'-P energy: -73.073
tors. eta vs tors. theta energy: -136.347
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: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1365.606119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.606119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.606119 (E_RNA)
where:
Base-Base interactions energy: -921.189
where: short stacking energy: -396.686
Base-Backbone interact. energy: -0.844
local terms energy: -443.573092
where:
bonds (distance) C4'-P energy: -86.683
bonds (distance) P-C4' energy: -104.213
flat angles C4'-P-C4' energy: -102.436
flat angles P-C4'-P energy: -65.036
tors. eta vs tors. theta energy: -85.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1242.098987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.098987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.098987 (E_RNA)
where:
Base-Base interactions energy: -828.656
where: short stacking energy: -350.068
Base-Backbone interact. energy: -3.406
local terms energy: -410.037013
where:
bonds (distance) C4'-P energy: -89.310
bonds (distance) P-C4' energy: -76.407
flat angles C4'-P-C4' energy: -103.275
flat angles P-C4'-P energy: -66.538
tors. eta vs tors. theta energy: -74.506
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: 356
Temperature: 1.300000
Total energy: -714.902600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.902600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.902600 (E_RNA)
where:
Base-Base interactions energy: -386.336
where: short stacking energy: -191.744
Base-Backbone interact. energy: -2.634
local terms energy: -325.932484
where:
bonds (distance) C4'-P energy: -90.073
bonds (distance) P-C4' energy: -101.021
flat angles C4'-P-C4' energy: -90.515
flat angles P-C4'-P energy: -40.639
tors. eta vs tors. theta energy: -3.685
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: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -422.633456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.633456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.633456 (E_RNA)
where:
Base-Base interactions energy: -121.307
where: short stacking energy: -102.340
Base-Backbone interact. energy: -0.576
local terms energy: -300.750423
where:
bonds (distance) C4'-P energy: -99.038
bonds (distance) P-C4' energy: -84.378
flat angles C4'-P-C4' energy: -79.786
flat angles P-C4'-P energy: -47.583
tors. eta vs tors. theta energy: 10.035
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: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1910.633407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.633407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.633407 (E_RNA)
where:
Base-Base interactions energy: -1314.354
where: short stacking energy: -563.474
Base-Backbone interact. energy: -1.459
local terms energy: -594.819764
where:
bonds (distance) C4'-P energy: -104.233
bonds (distance) P-C4' energy: -112.618
flat angles C4'-P-C4' energy: -126.870
flat angles P-C4'-P energy: -84.541
tors. eta vs tors. theta energy: -166.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1861.043779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.043779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.043779 (E_RNA)
where:
Base-Base interactions energy: -1249.874
where: short stacking energy: -539.027
Base-Backbone interact. energy: -0.309
local terms energy: -610.860091
where:
bonds (distance) C4'-P energy: -114.031
bonds (distance) P-C4' energy: -109.312
flat angles C4'-P-C4' energy: -129.815
flat angles P-C4'-P energy: -87.415
tors. eta vs tors. theta energy: -170.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1706.787545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.787545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.787545 (E_RNA)
where:
Base-Base interactions energy: -1153.153
where: short stacking energy: -510.698
Base-Backbone interact. energy: -0.357
local terms energy: -553.276895
where:
bonds (distance) C4'-P energy: -108.848
bonds (distance) P-C4' energy: -99.837
flat angles C4'-P-C4' energy: -120.659
flat angles P-C4'-P energy: -79.790
tors. eta vs tors. theta energy: -144.143
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: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1626.938670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.938670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.938670 (E_RNA)
where:
Base-Base interactions energy: -1120.271
where: short stacking energy: -466.182
Base-Backbone interact. energy: -2.527
local terms energy: -504.140531
where:
bonds (distance) C4'-P energy: -100.623
bonds (distance) P-C4' energy: -102.766
flat angles C4'-P-C4' energy: -116.400
flat angles P-C4'-P energy: -63.383
tors. eta vs tors. theta energy: -120.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1600.844464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.844464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.844464 (E_RNA)
where:
Base-Base interactions energy: -1095.691
where: short stacking energy: -470.370
Base-Backbone interact. energy: -1.597
local terms energy: -503.556780
where:
bonds (distance) C4'-P energy: -83.711
bonds (distance) P-C4' energy: -99.021
flat angles C4'-P-C4' energy: -104.670
flat angles P-C4'-P energy: -80.260
tors. eta vs tors. theta energy: -135.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1538.518836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.518836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.518836 (E_RNA)
where:
Base-Base interactions energy: -1029.568
where: short stacking energy: -449.031
Base-Backbone interact. energy: -4.750
local terms energy: -504.200284
where:
bonds (distance) C4'-P energy: -96.124
bonds (distance) P-C4' energy: -99.811
flat angles C4'-P-C4' energy: -114.194
flat angles P-C4'-P energy: -74.234
tors. eta vs tors. theta energy: -119.838
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: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1360.701381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.701381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.701381 (E_RNA)
where:
Base-Base interactions energy: -925.726
where: short stacking energy: -384.815
Base-Backbone interact. energy: -0.001
local terms energy: -434.974750
where:
bonds (distance) C4'-P energy: -81.738
bonds (distance) P-C4' energy: -82.260
flat angles C4'-P-C4' energy: -120.334
flat angles P-C4'-P energy: -55.565
tors. eta vs tors. theta energy: -95.077
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: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1211.009697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.009697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.009697 (E_RNA)
where:
Base-Base interactions energy: -786.028
where: short stacking energy: -335.927
Base-Backbone interact. energy: -0.317
local terms energy: -424.665224
where:
bonds (distance) C4'-P energy: -94.833
bonds (distance) P-C4' energy: -105.221
flat angles C4'-P-C4' energy: -93.069
flat angles P-C4'-P energy: -62.240
tors. eta vs tors. theta energy: -69.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -743.013862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.013862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.013862 (E_RNA)
where:
Base-Base interactions energy: -409.750
where: short stacking energy: -211.097
Base-Backbone interact. energy: 2.231
local terms energy: -335.494555
where:
bonds (distance) C4'-P energy: -78.948
bonds (distance) P-C4' energy: -102.030
flat angles C4'-P-C4' energy: -92.169
flat angles P-C4'-P energy: -49.568
tors. eta vs tors. theta energy: -12.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -430.551519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.551519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.551519 (E_RNA)
where:
Base-Base interactions energy: -164.053
where: short stacking energy: -138.824
Base-Backbone interact. energy: 4.227
local terms energy: -270.725430
where:
bonds (distance) C4'-P energy: -75.000
bonds (distance) P-C4' energy: -108.936
flat angles C4'-P-C4' energy: -74.308
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: 9.564
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: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1928.242289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.242289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.242289 (E_RNA)
where:
Base-Base interactions energy: -1321.444
where: short stacking energy: -586.458
Base-Backbone interact. energy: 3.051
local terms energy: -609.849181
where:
bonds (distance) C4'-P energy: -108.521
bonds (distance) P-C4' energy: -114.297
flat angles C4'-P-C4' energy: -133.342
flat angles P-C4'-P energy: -75.449
tors. eta vs tors. theta energy: -178.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1855.613346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.613346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.613346 (E_RNA)
where:
Base-Base interactions energy: -1272.242
where: short stacking energy: -552.132
Base-Backbone interact. energy: -1.917
local terms energy: -581.454715
where:
bonds (distance) C4'-P energy: -105.749
bonds (distance) P-C4' energy: -101.828
flat angles C4'-P-C4' energy: -124.101
flat angles P-C4'-P energy: -88.973
tors. eta vs tors. theta energy: -160.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1709.394872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.394872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.394872 (E_RNA)
where:
Base-Base interactions energy: -1169.552
where: short stacking energy: -498.149
Base-Backbone interact. energy: -1.882
local terms energy: -537.960818
where:
bonds (distance) C4'-P energy: -109.191
bonds (distance) P-C4' energy: -94.445
flat angles C4'-P-C4' energy: -107.145
flat angles P-C4'-P energy: -85.445
tors. eta vs tors. theta energy: -141.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1638.829226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.829226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.829226 (E_RNA)
where:
Base-Base interactions energy: -1132.488
where: short stacking energy: -480.910
Base-Backbone interact. energy: 2.026
local terms energy: -508.367055
where:
bonds (distance) C4'-P energy: -87.546
bonds (distance) P-C4' energy: -94.673
flat angles C4'-P-C4' energy: -122.910
flat angles P-C4'-P energy: -71.346
tors. eta vs tors. theta energy: -131.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1620.097500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.097500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.097500 (E_RNA)
where:
Base-Base interactions energy: -1102.399
where: short stacking energy: -468.031
Base-Backbone interact. energy: 4.928
local terms energy: -522.626763
where:
bonds (distance) C4'-P energy: -101.859
bonds (distance) P-C4' energy: -98.685
flat angles C4'-P-C4' energy: -98.229
flat angles P-C4'-P energy: -78.623
tors. eta vs tors. theta energy: -145.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1546.316500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.316500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.316500 (E_RNA)
where:
Base-Base interactions energy: -1042.685
where: short stacking energy: -431.811
Base-Backbone interact. energy: -0.448
local terms energy: -503.183317
where:
bonds (distance) C4'-P energy: -105.175
bonds (distance) P-C4' energy: -91.373
flat angles C4'-P-C4' energy: -114.405
flat angles P-C4'-P energy: -79.057
tors. eta vs tors. theta energy: -113.173
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: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1404.695374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.695374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.695374 (E_RNA)
where:
Base-Base interactions energy: -954.655
where: short stacking energy: -408.249
Base-Backbone interact. energy: -1.164
local terms energy: -448.875640
where:
bonds (distance) C4'-P energy: -92.613
bonds (distance) P-C4' energy: -99.868
flat angles C4'-P-C4' energy: -102.241
flat angles P-C4'-P energy: -56.501
tors. eta vs tors. theta energy: -97.654
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: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1261.064408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.064408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.064408 (E_RNA)
where:
Base-Base interactions energy: -827.821
where: short stacking energy: -395.151
Base-Backbone interact. energy: -0.379
local terms energy: -432.864791
where:
bonds (distance) C4'-P energy: -90.752
bonds (distance) P-C4' energy: -102.733
flat angles C4'-P-C4' energy: -84.314
flat angles P-C4'-P energy: -56.344
tors. eta vs tors. theta energy: -98.722
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: 358
Temperature: 1.300000
Total energy: -737.850975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.850975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.850975 (E_RNA)
where:
Base-Base interactions energy: -411.931
where: short stacking energy: -214.479
Base-Backbone interact. energy: -1.082
local terms energy: -324.837871
where:
bonds (distance) C4'-P energy: -95.629
bonds (distance) P-C4' energy: -87.126
flat angles C4'-P-C4' energy: -83.090
flat angles P-C4'-P energy: -53.875
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -390.244765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.244765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.244765 (E_RNA)
where:
Base-Base interactions energy: -107.228
where: short stacking energy: -106.744
Base-Backbone interact. energy: -2.098
local terms energy: -280.918215
where:
bonds (distance) C4'-P energy: -84.361
bonds (distance) P-C4' energy: -112.744
flat angles C4'-P-C4' energy: -63.960
flat angles P-C4'-P energy: -42.751
tors. eta vs tors. theta energy: 22.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1935.956848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.956848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.956848 (E_RNA)
where:
Base-Base interactions energy: -1344.084
where: short stacking energy: -569.639
Base-Backbone interact. energy: 1.757
local terms energy: -593.630550
where:
bonds (distance) C4'-P energy: -109.659
bonds (distance) P-C4' energy: -103.470
flat angles C4'-P-C4' energy: -124.944
flat angles P-C4'-P energy: -81.592
tors. eta vs tors. theta energy: -173.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1881.636101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.636101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.636101 (E_RNA)
where:
Base-Base interactions energy: -1313.773
where: short stacking energy: -564.338
Base-Backbone interact. energy: 1.014
local terms energy: -568.876990
where:
bonds (distance) C4'-P energy: -101.073
bonds (distance) P-C4' energy: -103.160
flat angles C4'-P-C4' energy: -125.867
flat angles P-C4'-P energy: -77.066
tors. eta vs tors. theta energy: -161.711
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: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1719.353604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.353604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.353604 (E_RNA)
where:
Base-Base interactions energy: -1187.071
where: short stacking energy: -515.209
Base-Backbone interact. energy: -1.311
local terms energy: -530.971094
where:
bonds (distance) C4'-P energy: -95.763
bonds (distance) P-C4' energy: -99.129
flat angles C4'-P-C4' energy: -102.953
flat angles P-C4'-P energy: -84.545
tors. eta vs tors. theta energy: -148.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1641.133175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.133175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.133175 (E_RNA)
where:
Base-Base interactions energy: -1101.901
where: short stacking energy: -490.515
Base-Backbone interact. energy: -1.383
local terms energy: -537.848597
where:
bonds (distance) C4'-P energy: -120.942
bonds (distance) P-C4' energy: -92.939
flat angles C4'-P-C4' energy: -107.275
flat angles P-C4'-P energy: -77.499
tors. eta vs tors. theta energy: -139.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1573.501764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.501764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.501764 (E_RNA)
where:
Base-Base interactions energy: -1096.060
where: short stacking energy: -449.422
Base-Backbone interact. energy: -1.264
local terms energy: -476.177577
where:
bonds (distance) C4'-P energy: -100.485
bonds (distance) P-C4' energy: -97.598
flat angles C4'-P-C4' energy: -95.243
flat angles P-C4'-P energy: -62.235
tors. eta vs tors. theta energy: -120.616
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: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1521.124847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.124847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.124847 (E_RNA)
where:
Base-Base interactions energy: -1019.080
where: short stacking energy: -440.643
Base-Backbone interact. energy: 0.413
local terms energy: -502.458234
where:
bonds (distance) C4'-P energy: -96.948
bonds (distance) P-C4' energy: -102.492
flat angles C4'-P-C4' energy: -104.666
flat angles P-C4'-P energy: -77.583
tors. eta vs tors. theta energy: -120.769
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: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1426.057464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.057464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.057464 (E_RNA)
where:
Base-Base interactions energy: -956.801
where: short stacking energy: -415.391
Base-Backbone interact. energy: 0.371
local terms energy: -469.627128
where:
bonds (distance) C4'-P energy: -101.177
bonds (distance) P-C4' energy: -100.697
flat angles C4'-P-C4' energy: -104.865
flat angles P-C4'-P energy: -59.566
tors. eta vs tors. theta energy: -103.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1289.555423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.555423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.555423 (E_RNA)
where:
Base-Base interactions energy: -830.413
where: short stacking energy: -355.745
Base-Backbone interact. energy: -2.388
local terms energy: -456.754350
where:
bonds (distance) C4'-P energy: -100.014
bonds (distance) P-C4' energy: -108.708
flat angles C4'-P-C4' energy: -98.249
flat angles P-C4'-P energy: -50.644
tors. eta vs tors. theta energy: -99.139
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: 359
Temperature: 1.300000
Total energy: -824.432015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.432015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.432015 (E_RNA)
where:
Base-Base interactions energy: -514.228
where: short stacking energy: -249.777
Base-Backbone interact. energy: -0.426
local terms energy: -309.777556
where:
bonds (distance) C4'-P energy: -66.046
bonds (distance) P-C4' energy: -86.327
flat angles C4'-P-C4' energy: -65.910
flat angles P-C4'-P energy: -52.814
tors. eta vs tors. theta energy: -38.681
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: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -443.818001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.818001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.818001 (E_RNA)
where:
Base-Base interactions energy: -150.315
where: short stacking energy: -131.483
Base-Backbone interact. energy: 5.131
local terms energy: -298.633535
where:
bonds (distance) C4'-P energy: -91.324
bonds (distance) P-C4' energy: -100.619
flat angles C4'-P-C4' energy: -79.602
flat angles P-C4'-P energy: -32.694
tors. eta vs tors. theta energy: 5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1928.482314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.482314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.482314 (E_RNA)
where:
Base-Base interactions energy: -1335.492
where: short stacking energy: -560.243
Base-Backbone interact. energy: -5.155
local terms energy: -587.835542
where:
bonds (distance) C4'-P energy: -118.534
bonds (distance) P-C4' energy: -102.097
flat angles C4'-P-C4' energy: -114.281
flat angles P-C4'-P energy: -85.246
tors. eta vs tors. theta energy: -167.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1859.764330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.764330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.764330 (E_RNA)
where:
Base-Base interactions energy: -1262.043
where: short stacking energy: -554.423
Base-Backbone interact. energy: -0.421
local terms energy: -597.300061
where:
bonds (distance) C4'-P energy: -97.138
bonds (distance) P-C4' energy: -114.091
flat angles C4'-P-C4' energy: -117.429
flat angles P-C4'-P energy: -95.461
tors. eta vs tors. theta energy: -173.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1724.280161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.280161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.280161 (E_RNA)
where:
Base-Base interactions energy: -1173.536
where: short stacking energy: -505.496
Base-Backbone interact. energy: -1.492
local terms energy: -549.252064
where:
bonds (distance) C4'-P energy: -109.495
bonds (distance) P-C4' energy: -111.498
flat angles C4'-P-C4' energy: -113.619
flat angles P-C4'-P energy: -72.939
tors. eta vs tors. theta energy: -141.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1696.231888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.231888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.231888 (E_RNA)
where:
Base-Base interactions energy: -1157.719
where: short stacking energy: -533.291
Base-Backbone interact. energy: 3.389
local terms energy: -541.902595
where:
bonds (distance) C4'-P energy: -87.253
bonds (distance) P-C4' energy: -108.102
flat angles C4'-P-C4' energy: -121.386
flat angles P-C4'-P energy: -76.669
tors. eta vs tors. theta energy: -148.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1610.197371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.197371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.197371 (E_RNA)
where:
Base-Base interactions energy: -1125.226
where: short stacking energy: -483.735
Base-Backbone interact. energy: -1.171
local terms energy: -483.800072
where:
bonds (distance) C4'-P energy: -85.488
bonds (distance) P-C4' energy: -91.240
flat angles C4'-P-C4' energy: -112.210
flat angles P-C4'-P energy: -62.761
tors. eta vs tors. theta energy: -132.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1505.059280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.059280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.059280 (E_RNA)
where:
Base-Base interactions energy: -1017.244
where: short stacking energy: -411.339
Base-Backbone interact. energy: -3.280
local terms energy: -484.535815
where:
bonds (distance) C4'-P energy: -106.819
bonds (distance) P-C4' energy: -88.978
flat angles C4'-P-C4' energy: -112.035
flat angles P-C4'-P energy: -73.956
tors. eta vs tors. theta energy: -102.747
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: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1438.884120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.884120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.884120 (E_RNA)
where:
Base-Base interactions energy: -1032.978
where: short stacking energy: -444.491
Base-Backbone interact. energy: 4.560
local terms energy: -410.466417
where:
bonds (distance) C4'-P energy: -62.202
bonds (distance) P-C4' energy: -69.964
flat angles C4'-P-C4' energy: -96.964
flat angles P-C4'-P energy: -71.230
tors. eta vs tors. theta energy: -110.106
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: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1271.427320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.427320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.427320 (E_RNA)
where:
Base-Base interactions energy: -827.453
where: short stacking energy: -358.134
Base-Backbone interact. energy: 1.524
local terms energy: -445.498313
where:
bonds (distance) C4'-P energy: -88.543
bonds (distance) P-C4' energy: -96.590
flat angles C4'-P-C4' energy: -105.955
flat angles P-C4'-P energy: -66.748
tors. eta vs tors. theta energy: -87.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -831.877873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.877873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.877873 (E_RNA)
where:
Base-Base interactions energy: -490.898
where: short stacking energy: -264.441
Base-Backbone interact. energy: -4.688
local terms energy: -336.291374
where:
bonds (distance) C4'-P energy: -84.815
bonds (distance) P-C4' energy: -72.357
flat angles C4'-P-C4' energy: -80.595
flat angles P-C4'-P energy: -60.334
tors. eta vs tors. theta energy: -38.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -477.755958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.755958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.755958 (E_RNA)
where:
Base-Base interactions energy: -168.884
where: short stacking energy: -118.805
Base-Backbone interact. energy: 2.530
local terms energy: -311.402439
where:
bonds (distance) C4'-P energy: -80.432
bonds (distance) P-C4' energy: -94.038
flat angles C4'-P-C4' energy: -86.614
flat angles P-C4'-P energy: -55.951
tors. eta vs tors. theta energy: 5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1961.082919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.082919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.082919 (E_RNA)
where:
Base-Base interactions energy: -1349.564
where: short stacking energy: -580.812
Base-Backbone interact. energy: -0.693
local terms energy: -610.826046
where:
bonds (distance) C4'-P energy: -111.900
bonds (distance) P-C4' energy: -103.341
flat angles C4'-P-C4' energy: -128.516
flat angles P-C4'-P energy: -93.844
tors. eta vs tors. theta energy: -173.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1863.781401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.781401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.781401 (E_RNA)
where:
Base-Base interactions energy: -1255.905
where: short stacking energy: -543.575
Base-Backbone interact. energy: -0.961
local terms energy: -606.915747
where:
bonds (distance) C4'-P energy: -107.764
bonds (distance) P-C4' energy: -112.398
flat angles C4'-P-C4' energy: -125.492
flat angles P-C4'-P energy: -86.860
tors. eta vs tors. theta energy: -174.401
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: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1712.431744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.431744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.431744 (E_RNA)
where:
Base-Base interactions energy: -1158.037
where: short stacking energy: -491.958
Base-Backbone interact. energy: -2.656
local terms energy: -551.738613
where:
bonds (distance) C4'-P energy: -96.674
bonds (distance) P-C4' energy: -116.012
flat angles C4'-P-C4' energy: -113.841
flat angles P-C4'-P energy: -86.050
tors. eta vs tors. theta energy: -139.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1672.394269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.394269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.394269 (E_RNA)
where:
Base-Base interactions energy: -1098.467
where: short stacking energy: -492.280
Base-Backbone interact. energy: -2.395
local terms energy: -571.532336
where:
bonds (distance) C4'-P energy: -105.692
bonds (distance) P-C4' energy: -111.592
flat angles C4'-P-C4' energy: -111.847
flat angles P-C4'-P energy: -88.652
tors. eta vs tors. theta energy: -153.750
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: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1613.777399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.777399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.777399 (E_RNA)
where:
Base-Base interactions energy: -1101.919
where: short stacking energy: -462.676
Base-Backbone interact. energy: -5.416
local terms energy: -506.442278
where:
bonds (distance) C4'-P energy: -89.097
bonds (distance) P-C4' energy: -110.634
flat angles C4'-P-C4' energy: -108.719
flat angles P-C4'-P energy: -75.581
tors. eta vs tors. theta energy: -122.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1498.439060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.439060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.439060 (E_RNA)
where:
Base-Base interactions energy: -1013.490
where: short stacking energy: -446.538
Base-Backbone interact. energy: -0.649
local terms energy: -484.299765
where:
bonds (distance) C4'-P energy: -89.264
bonds (distance) P-C4' energy: -86.677
flat angles C4'-P-C4' energy: -116.454
flat angles P-C4'-P energy: -71.730
tors. eta vs tors. theta energy: -120.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1432.607257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.607257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.607257 (E_RNA)
where:
Base-Base interactions energy: -954.369
where: short stacking energy: -399.275
Base-Backbone interact. energy: 0.533
local terms energy: -478.772032
where:
bonds (distance) C4'-P energy: -97.513
bonds (distance) P-C4' energy: -89.874
flat angles C4'-P-C4' energy: -106.172
flat angles P-C4'-P energy: -73.185
tors. eta vs tors. theta energy: -112.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1285.433716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.433716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.433716 (E_RNA)
where:
Base-Base interactions energy: -871.917
where: short stacking energy: -343.728
Base-Backbone interact. energy: -2.439
local terms energy: -411.077580
where:
bonds (distance) C4'-P energy: -85.735
bonds (distance) P-C4' energy: -88.716
flat angles C4'-P-C4' energy: -93.505
flat angles P-C4'-P energy: -68.085
tors. eta vs tors. theta energy: -75.037
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: 361
Temperature: 1.300000
Total energy: -848.984261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.984261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.984261 (E_RNA)
where:
Base-Base interactions energy: -514.493
where: short stacking energy: -248.648
Base-Backbone interact. energy: 2.195
local terms energy: -336.686791
where:
bonds (distance) C4'-P energy: -91.928
bonds (distance) P-C4' energy: -84.193
flat angles C4'-P-C4' energy: -68.114
flat angles P-C4'-P energy: -62.609
tors. eta vs tors. theta energy: -29.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -477.277074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.277074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.277074 (E_RNA)
where:
Base-Base interactions energy: -210.690
where: short stacking energy: -135.429
Base-Backbone interact. energy: -1.521
local terms energy: -265.065505
where:
bonds (distance) C4'-P energy: -78.000
bonds (distance) P-C4' energy: -100.885
flat angles C4'-P-C4' energy: -71.517
flat angles P-C4'-P energy: -36.169
tors. eta vs tors. theta energy: 21.505
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: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1931.697496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.697496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.697496 (E_RNA)
where:
Base-Base interactions energy: -1347.149
where: short stacking energy: -600.376
Base-Backbone interact. energy: 1.742
local terms energy: -586.291064
where:
bonds (distance) C4'-P energy: -104.054
bonds (distance) P-C4' energy: -100.911
flat angles C4'-P-C4' energy: -126.187
flat angles P-C4'-P energy: -78.125
tors. eta vs tors. theta energy: -177.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1857.306595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.306595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.306595 (E_RNA)
where:
Base-Base interactions energy: -1264.125
where: short stacking energy: -554.876
Base-Backbone interact. energy: -2.346
local terms energy: -590.835178
where:
bonds (distance) C4'-P energy: -107.332
bonds (distance) P-C4' energy: -113.849
flat angles C4'-P-C4' energy: -118.753
flat angles P-C4'-P energy: -78.814
tors. eta vs tors. theta energy: -172.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1724.761202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.761202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.761202 (E_RNA)
where:
Base-Base interactions energy: -1172.108
where: short stacking energy: -542.124
Base-Backbone interact. energy: -1.151
local terms energy: -551.502123
where:
bonds (distance) C4'-P energy: -91.752
bonds (distance) P-C4' energy: -100.778
flat angles C4'-P-C4' energy: -126.610
flat angles P-C4'-P energy: -83.210
tors. eta vs tors. theta energy: -149.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1671.480210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.480210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.480210 (E_RNA)
where:
Base-Base interactions energy: -1147.079
where: short stacking energy: -479.594
Base-Backbone interact. energy: -1.262
local terms energy: -523.138989
where:
bonds (distance) C4'-P energy: -106.945
bonds (distance) P-C4' energy: -95.218
flat angles C4'-P-C4' energy: -102.100
flat angles P-C4'-P energy: -73.637
tors. eta vs tors. theta energy: -145.239
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: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1590.867825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.867825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.867825 (E_RNA)
where:
Base-Base interactions energy: -1088.899
where: short stacking energy: -459.890
Base-Backbone interact. energy: -0.552
local terms energy: -501.417605
where:
bonds (distance) C4'-P energy: -109.931
bonds (distance) P-C4' energy: -100.730
flat angles C4'-P-C4' energy: -105.712
flat angles P-C4'-P energy: -68.859
tors. eta vs tors. theta energy: -116.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1522.800081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.800081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.800081 (E_RNA)
where:
Base-Base interactions energy: -1037.896
where: short stacking energy: -460.275
Base-Backbone interact. energy: -0.831
local terms energy: -484.073160
where:
bonds (distance) C4'-P energy: -91.405
bonds (distance) P-C4' energy: -86.329
flat angles C4'-P-C4' energy: -119.003
flat angles P-C4'-P energy: -64.793
tors. eta vs tors. theta energy: -122.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1428.627123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.627123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.627123 (E_RNA)
where:
Base-Base interactions energy: -964.443
where: short stacking energy: -406.024
Base-Backbone interact. energy: 0.767
local terms energy: -464.951025
where:
bonds (distance) C4'-P energy: -98.726
bonds (distance) P-C4' energy: -98.921
flat angles C4'-P-C4' energy: -103.030
flat angles P-C4'-P energy: -59.305
tors. eta vs tors. theta energy: -104.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1280.360573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.360573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.360573 (E_RNA)
where:
Base-Base interactions energy: -881.738
where: short stacking energy: -390.055
Base-Backbone interact. energy: -0.375
local terms energy: -398.246869
where:
bonds (distance) C4'-P energy: -68.077
bonds (distance) P-C4' energy: -84.603
flat angles C4'-P-C4' energy: -102.530
flat angles P-C4'-P energy: -51.586
tors. eta vs tors. theta energy: -91.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -821.444784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.444784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.444784 (E_RNA)
where:
Base-Base interactions energy: -454.157
where: short stacking energy: -219.639
Base-Backbone interact. energy: -2.521
local terms energy: -364.766716
where:
bonds (distance) C4'-P energy: -97.627
bonds (distance) P-C4' energy: -77.487
flat angles C4'-P-C4' energy: -103.272
flat angles P-C4'-P energy: -46.036
tors. eta vs tors. theta energy: -40.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -499.885315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.885315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.885315 (E_RNA)
where:
Base-Base interactions energy: -233.099
where: short stacking energy: -147.586
Base-Backbone interact. energy: 3.838
local terms energy: -270.625141
where:
bonds (distance) C4'-P energy: -79.293
bonds (distance) P-C4' energy: -79.252
flat angles C4'-P-C4' energy: -84.190
flat angles P-C4'-P energy: -43.230
tors. eta vs tors. theta energy: 15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1948.328246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.328246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.328246 (E_RNA)
where:
Base-Base interactions energy: -1328.397
where: short stacking energy: -598.934
Base-Backbone interact. energy: -2.947
local terms energy: -616.984274
where:
bonds (distance) C4'-P energy: -118.846
bonds (distance) P-C4' energy: -111.818
flat angles C4'-P-C4' energy: -128.115
flat angles P-C4'-P energy: -80.058
tors. eta vs tors. theta energy: -178.148
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: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1856.372148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.372148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.372148 (E_RNA)
where:
Base-Base interactions energy: -1256.133
where: short stacking energy: -545.080
Base-Backbone interact. energy: 0.541
local terms energy: -600.780309
where:
bonds (distance) C4'-P energy: -113.792
bonds (distance) P-C4' energy: -106.185
flat angles C4'-P-C4' energy: -120.675
flat angles P-C4'-P energy: -87.982
tors. eta vs tors. theta energy: -172.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1721.147868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.147868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.147868 (E_RNA)
where:
Base-Base interactions energy: -1174.652
where: short stacking energy: -499.397
Base-Backbone interact. energy: 3.507
local terms energy: -550.002300
where:
bonds (distance) C4'-P energy: -93.141
bonds (distance) P-C4' energy: -99.656
flat angles C4'-P-C4' energy: -119.117
flat angles P-C4'-P energy: -82.227
tors. eta vs tors. theta energy: -155.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1699.526951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.526951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.526951 (E_RNA)
where:
Base-Base interactions energy: -1159.647
where: short stacking energy: -512.818
Base-Backbone interact. energy: -2.296
local terms energy: -537.584437
where:
bonds (distance) C4'-P energy: -98.310
bonds (distance) P-C4' energy: -104.149
flat angles C4'-P-C4' energy: -118.064
flat angles P-C4'-P energy: -66.116
tors. eta vs tors. theta energy: -150.944
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: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1635.754746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.754746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.754746 (E_RNA)
where:
Base-Base interactions energy: -1130.645
where: short stacking energy: -465.612
Base-Backbone interact. energy: -1.273
local terms energy: -503.836507
where:
bonds (distance) C4'-P energy: -94.860
bonds (distance) P-C4' energy: -95.451
flat angles C4'-P-C4' energy: -107.098
flat angles P-C4'-P energy: -62.546
tors. eta vs tors. theta energy: -143.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1510.970169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.970169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.970169 (E_RNA)
where:
Base-Base interactions energy: -1031.425
where: short stacking energy: -456.527
Base-Backbone interact. energy: -1.552
local terms energy: -477.992999
where:
bonds (distance) C4'-P energy: -89.258
bonds (distance) P-C4' energy: -94.362
flat angles C4'-P-C4' energy: -98.048
flat angles P-C4'-P energy: -66.555
tors. eta vs tors. theta energy: -129.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1452.521725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.521725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.521725 (E_RNA)
where:
Base-Base interactions energy: -969.371
where: short stacking energy: -417.573
Base-Backbone interact. energy: 2.503
local terms energy: -485.654066
where:
bonds (distance) C4'-P energy: -80.270
bonds (distance) P-C4' energy: -99.688
flat angles C4'-P-C4' energy: -112.092
flat angles P-C4'-P energy: -77.027
tors. eta vs tors. theta energy: -116.577
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: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1288.862020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.862020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.862020 (E_RNA)
where:
Base-Base interactions energy: -825.599
where: short stacking energy: -370.291
Base-Backbone interact. energy: -2.330
local terms energy: -460.933044
where:
bonds (distance) C4'-P energy: -88.940
bonds (distance) P-C4' energy: -104.403
flat angles C4'-P-C4' energy: -89.651
flat angles P-C4'-P energy: -78.323
tors. eta vs tors. theta energy: -99.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -841.740692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.740692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.740692 (E_RNA)
where:
Base-Base interactions energy: -500.075
where: short stacking energy: -233.749
Base-Backbone interact. energy: -0.376
local terms energy: -341.289245
where:
bonds (distance) C4'-P energy: -101.461
bonds (distance) P-C4' energy: -87.636
flat angles C4'-P-C4' energy: -81.150
flat angles P-C4'-P energy: -48.166
tors. eta vs tors. theta energy: -22.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -528.179299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.179299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.179299 (E_RNA)
where:
Base-Base interactions energy: -224.748
where: short stacking energy: -146.529
Base-Backbone interact. energy: -4.062
local terms energy: -299.369199
where:
bonds (distance) C4'-P energy: -86.214
bonds (distance) P-C4' energy: -93.648
flat angles C4'-P-C4' energy: -70.413
flat angles P-C4'-P energy: -48.034
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1962.798064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.798064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.798064 (E_RNA)
where:
Base-Base interactions energy: -1348.901
where: short stacking energy: -580.940
Base-Backbone interact. energy: -2.943
local terms energy: -610.954022
where:
bonds (distance) C4'-P energy: -104.306
bonds (distance) P-C4' energy: -124.855
flat angles C4'-P-C4' energy: -120.631
flat angles P-C4'-P energy: -89.583
tors. eta vs tors. theta energy: -171.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1857.813429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.813429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.813429 (E_RNA)
where:
Base-Base interactions energy: -1255.466
where: short stacking energy: -540.322
Base-Backbone interact. energy: -2.454
local terms energy: -599.893986
where:
bonds (distance) C4'-P energy: -109.293
bonds (distance) P-C4' energy: -124.409
flat angles C4'-P-C4' energy: -117.056
flat angles P-C4'-P energy: -89.045
tors. eta vs tors. theta energy: -160.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1716.759375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.759375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.759375 (E_RNA)
where:
Base-Base interactions energy: -1184.364
where: short stacking energy: -515.633
Base-Backbone interact. energy: -2.377
local terms energy: -530.018117
where:
bonds (distance) C4'-P energy: -98.215
bonds (distance) P-C4' energy: -100.926
flat angles C4'-P-C4' energy: -111.423
flat angles P-C4'-P energy: -81.841
tors. eta vs tors. theta energy: -137.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1684.841737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.841737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.841737 (E_RNA)
where:
Base-Base interactions energy: -1158.621
where: short stacking energy: -497.386
Base-Backbone interact. energy: -0.555
local terms energy: -525.666193
where:
bonds (distance) C4'-P energy: -101.937
bonds (distance) P-C4' energy: -98.680
flat angles C4'-P-C4' energy: -114.738
flat angles P-C4'-P energy: -74.628
tors. eta vs tors. theta energy: -135.683
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: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1606.775026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.775026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.775026 (E_RNA)
where:
Base-Base interactions energy: -1104.514
where: short stacking energy: -484.992
Base-Backbone interact. energy: -1.405
local terms energy: -500.856395
where:
bonds (distance) C4'-P energy: -95.561
bonds (distance) P-C4' energy: -94.672
flat angles C4'-P-C4' energy: -113.765
flat angles P-C4'-P energy: -70.970
tors. eta vs tors. theta energy: -125.889
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: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1475.950856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.950856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.950856 (E_RNA)
where:
Base-Base interactions energy: -1003.609
where: short stacking energy: -418.835
Base-Backbone interact. energy: -1.304
local terms energy: -471.037570
where:
bonds (distance) C4'-P energy: -91.844
bonds (distance) P-C4' energy: -93.413
flat angles C4'-P-C4' energy: -106.435
flat angles P-C4'-P energy: -67.835
tors. eta vs tors. theta energy: -111.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1476.912510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.912510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.912510 (E_RNA)
where:
Base-Base interactions energy: -1008.468
where: short stacking energy: -426.255
Base-Backbone interact. energy: -1.082
local terms energy: -467.362792
where:
bonds (distance) C4'-P energy: -100.427
bonds (distance) P-C4' energy: -89.934
flat angles C4'-P-C4' energy: -93.495
flat angles P-C4'-P energy: -71.442
tors. eta vs tors. theta energy: -112.064
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: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1295.965715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.965715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.965715 (E_RNA)
where:
Base-Base interactions energy: -854.199
where: short stacking energy: -353.050
Base-Backbone interact. energy: 0.741
local terms energy: -442.508178
where:
bonds (distance) C4'-P energy: -98.376
bonds (distance) P-C4' energy: -84.258
flat angles C4'-P-C4' energy: -93.249
flat angles P-C4'-P energy: -63.056
tors. eta vs tors. theta energy: -103.569
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: 364
Temperature: 1.300000
Total energy: -813.898895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.898895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.898895 (E_RNA)
where:
Base-Base interactions energy: -467.206
where: short stacking energy: -237.925
Base-Backbone interact. energy: -0.785
local terms energy: -345.907249
where:
bonds (distance) C4'-P energy: -101.110
bonds (distance) P-C4' energy: -76.254
flat angles C4'-P-C4' energy: -81.874
flat angles P-C4'-P energy: -47.685
tors. eta vs tors. theta energy: -38.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -486.991562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.991562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.991562 (E_RNA)
where:
Base-Base interactions energy: -206.528
where: short stacking energy: -149.072
Base-Backbone interact. energy: -2.602
local terms energy: -277.861055
where:
bonds (distance) C4'-P energy: -62.016
bonds (distance) P-C4' energy: -97.025
flat angles C4'-P-C4' energy: -73.498
flat angles P-C4'-P energy: -51.435
tors. eta vs tors. theta energy: 6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1933.956477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.956477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.956477 (E_RNA)
where:
Base-Base interactions energy: -1354.488
where: short stacking energy: -573.892
Base-Backbone interact. energy: -1.864
local terms energy: -577.604812
where:
bonds (distance) C4'-P energy: -108.675
bonds (distance) P-C4' energy: -91.835
flat angles C4'-P-C4' energy: -119.764
flat angles P-C4'-P energy: -81.200
tors. eta vs tors. theta energy: -176.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1844.047310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.047310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.047310 (E_RNA)
where:
Base-Base interactions energy: -1269.161
where: short stacking energy: -538.595
Base-Backbone interact. energy: -2.617
local terms energy: -572.269697
where:
bonds (distance) C4'-P energy: -118.186
bonds (distance) P-C4' energy: -89.904
flat angles C4'-P-C4' energy: -105.392
flat angles P-C4'-P energy: -92.148
tors. eta vs tors. theta energy: -166.640
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: 365
Temperature: 1.000000
Total energy: -1708.768949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.768949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.768949 (E_RNA)
where:
Base-Base interactions energy: -1149.833
where: short stacking energy: -504.669
Base-Backbone interact. energy: -1.839
local terms energy: -557.097308
where:
bonds (distance) C4'-P energy: -103.753
bonds (distance) P-C4' energy: -113.756
flat angles C4'-P-C4' energy: -122.159
flat angles P-C4'-P energy: -80.622
tors. eta vs tors. theta energy: -136.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1658.126260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.126260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.126260 (E_RNA)
where:
Base-Base interactions energy: -1122.141
where: short stacking energy: -488.424
Base-Backbone interact. energy: -0.655
local terms energy: -535.330130
where:
bonds (distance) C4'-P energy: -94.815
bonds (distance) P-C4' energy: -97.046
flat angles C4'-P-C4' energy: -114.417
flat angles P-C4'-P energy: -78.539
tors. eta vs tors. theta energy: -150.513
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: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1589.093116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.093116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.093116 (E_RNA)
where:
Base-Base interactions energy: -1098.861
where: short stacking energy: -473.552
Base-Backbone interact. energy: -1.877
local terms energy: -488.355606
where:
bonds (distance) C4'-P energy: -89.002
bonds (distance) P-C4' energy: -96.326
flat angles C4'-P-C4' energy: -112.072
flat angles P-C4'-P energy: -70.306
tors. eta vs tors. theta energy: -120.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1509.804503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.804503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.804503 (E_RNA)
where:
Base-Base interactions energy: -1042.057
where: short stacking energy: -447.867
Base-Backbone interact. energy: -0.391
local terms energy: -467.355753
where:
bonds (distance) C4'-P energy: -90.295
bonds (distance) P-C4' energy: -88.073
flat angles C4'-P-C4' energy: -98.339
flat angles P-C4'-P energy: -73.622
tors. eta vs tors. theta energy: -117.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1411.481554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.481554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.481554 (E_RNA)
where:
Base-Base interactions energy: -971.070
where: short stacking energy: -389.381
Base-Backbone interact. energy: 0.308
local terms energy: -440.720091
where:
bonds (distance) C4'-P energy: -88.780
bonds (distance) P-C4' energy: -85.843
flat angles C4'-P-C4' energy: -104.893
flat angles P-C4'-P energy: -59.311
tors. eta vs tors. theta energy: -101.893
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: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1277.657729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.657729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.657729 (E_RNA)
where:
Base-Base interactions energy: -871.707
where: short stacking energy: -359.784
Base-Backbone interact. energy: 6.763
local terms energy: -412.713951
where:
bonds (distance) C4'-P energy: -79.165
bonds (distance) P-C4' energy: -94.071
flat angles C4'-P-C4' energy: -90.701
flat angles P-C4'-P energy: -64.354
tors. eta vs tors. theta energy: -84.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -802.350208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.350208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.350208 (E_RNA)
where:
Base-Base interactions energy: -451.941
where: short stacking energy: -226.854
Base-Backbone interact. energy: -2.663
local terms energy: -347.746035
where:
bonds (distance) C4'-P energy: -99.458
bonds (distance) P-C4' energy: -97.875
flat angles C4'-P-C4' energy: -85.165
flat angles P-C4'-P energy: -48.675
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: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -482.655868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.655868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.655868 (E_RNA)
where:
Base-Base interactions energy: -197.311
where: short stacking energy: -144.595
Base-Backbone interact. energy: -1.057
local terms energy: -284.287678
where:
bonds (distance) C4'-P energy: -81.852
bonds (distance) P-C4' energy: -101.274
flat angles C4'-P-C4' energy: -70.576
flat angles P-C4'-P energy: -39.576
tors. eta vs tors. theta energy: 8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1947.289781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.289781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.289781 (E_RNA)
where:
Base-Base interactions energy: -1340.700
where: short stacking energy: -600.434
Base-Backbone interact. energy: -1.458
local terms energy: -605.131863
where:
bonds (distance) C4'-P energy: -111.515
bonds (distance) P-C4' energy: -109.388
flat angles C4'-P-C4' energy: -125.149
flat angles P-C4'-P energy: -80.602
tors. eta vs tors. theta energy: -178.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1879.715469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.715469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.715469 (E_RNA)
where:
Base-Base interactions energy: -1282.511
where: short stacking energy: -552.316
Base-Backbone interact. energy: -3.036
local terms energy: -594.168619
where:
bonds (distance) C4'-P energy: -94.230
bonds (distance) P-C4' energy: -111.539
flat angles C4'-P-C4' energy: -126.846
flat angles P-C4'-P energy: -85.350
tors. eta vs tors. theta energy: -176.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1756.210755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.210755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.210755 (E_RNA)
where:
Base-Base interactions energy: -1173.774
where: short stacking energy: -549.461
Base-Backbone interact. energy: -2.643
local terms energy: -579.794070
where:
bonds (distance) C4'-P energy: -100.034
bonds (distance) P-C4' energy: -105.720
flat angles C4'-P-C4' energy: -125.359
flat angles P-C4'-P energy: -80.073
tors. eta vs tors. theta energy: -168.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1705.932418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.932418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.932418 (E_RNA)
where:
Base-Base interactions energy: -1169.168
where: short stacking energy: -495.921
Base-Backbone interact. energy: 6.224
local terms energy: -542.988315
where:
bonds (distance) C4'-P energy: -99.921
bonds (distance) P-C4' energy: -103.077
flat angles C4'-P-C4' energy: -123.399
flat angles P-C4'-P energy: -81.072
tors. eta vs tors. theta energy: -135.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1605.052794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.052794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.052794 (E_RNA)
where:
Base-Base interactions energy: -1093.800
where: short stacking energy: -449.412
Base-Backbone interact. energy: -1.840
local terms energy: -509.412771
where:
bonds (distance) C4'-P energy: -104.305
bonds (distance) P-C4' energy: -99.218
flat angles C4'-P-C4' energy: -102.733
flat angles P-C4'-P energy: -82.386
tors. eta vs tors. theta energy: -120.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1512.076275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.076275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.076275 (E_RNA)
where:
Base-Base interactions energy: -1025.876
where: short stacking energy: -429.652
Base-Backbone interact. energy: 0.249
local terms energy: -486.449647
where:
bonds (distance) C4'-P energy: -102.778
bonds (distance) P-C4' energy: -103.504
flat angles C4'-P-C4' energy: -105.055
flat angles P-C4'-P energy: -64.890
tors. eta vs tors. theta energy: -110.222
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: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1355.760523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.760523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.760523 (E_RNA)
where:
Base-Base interactions energy: -909.578
where: short stacking energy: -412.113
Base-Backbone interact. energy: 2.408
local terms energy: -448.591148
where:
bonds (distance) C4'-P energy: -91.084
bonds (distance) P-C4' energy: -100.964
flat angles C4'-P-C4' energy: -97.844
flat angles P-C4'-P energy: -54.550
tors. eta vs tors. theta energy: -104.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1263.712237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.712237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.712237 (E_RNA)
where:
Base-Base interactions energy: -847.972
where: short stacking energy: -374.648
Base-Backbone interact. energy: -1.095
local terms energy: -414.644655
where:
bonds (distance) C4'-P energy: -91.452
bonds (distance) P-C4' energy: -94.240
flat angles C4'-P-C4' energy: -90.530
flat angles P-C4'-P energy: -56.622
tors. eta vs tors. theta energy: -81.802
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: 366
Temperature: 1.300000
Total energy: -766.270372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.270372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.270372 (E_RNA)
where:
Base-Base interactions energy: -453.164
where: short stacking energy: -230.422
Base-Backbone interact. energy: 9.879
local terms energy: -322.984910
where:
bonds (distance) C4'-P energy: -91.145
bonds (distance) P-C4' energy: -80.558
flat angles C4'-P-C4' energy: -88.528
flat angles P-C4'-P energy: -46.536
tors. eta vs tors. theta energy: -16.218
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: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -486.733319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.733319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.733319 (E_RNA)
where:
Base-Base interactions energy: -193.946
where: short stacking energy: -103.382
Base-Backbone interact. energy: -1.565
local terms energy: -291.221950
where:
bonds (distance) C4'-P energy: -94.349
bonds (distance) P-C4' energy: -85.228
flat angles C4'-P-C4' energy: -83.523
flat angles P-C4'-P energy: -38.210
tors. eta vs tors. theta energy: 10.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1942.008076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.008076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.008076 (E_RNA)
where:
Base-Base interactions energy: -1343.754
where: short stacking energy: -585.786
Base-Backbone interact. energy: -2.197
local terms energy: -596.056777
where:
bonds (distance) C4'-P energy: -92.503
bonds (distance) P-C4' energy: -110.212
flat angles C4'-P-C4' energy: -120.133
flat angles P-C4'-P energy: -95.805
tors. eta vs tors. theta energy: -177.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1828.687342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.687342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.687342 (E_RNA)
where:
Base-Base interactions energy: -1251.765
where: short stacking energy: -553.772
Base-Backbone interact. energy: -0.452
local terms energy: -576.470051
where:
bonds (distance) C4'-P energy: -96.405
bonds (distance) P-C4' energy: -116.865
flat angles C4'-P-C4' energy: -119.440
flat angles P-C4'-P energy: -67.293
tors. eta vs tors. theta energy: -176.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1708.414840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.414840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.414840 (E_RNA)
where:
Base-Base interactions energy: -1149.305
where: short stacking energy: -502.992
Base-Backbone interact. energy: -0.902
local terms energy: -558.208523
where:
bonds (distance) C4'-P energy: -98.726
bonds (distance) P-C4' energy: -97.194
flat angles C4'-P-C4' energy: -128.991
flat angles P-C4'-P energy: -92.771
tors. eta vs tors. theta energy: -140.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1722.893905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.893905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.893905 (E_RNA)
where:
Base-Base interactions energy: -1175.175
where: short stacking energy: -493.012
Base-Backbone interact. energy: -2.229
local terms energy: -545.489232
where:
bonds (distance) C4'-P energy: -101.332
bonds (distance) P-C4' energy: -103.257
flat angles C4'-P-C4' energy: -118.312
flat angles P-C4'-P energy: -79.912
tors. eta vs tors. theta energy: -142.676
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: 367
Temperature: 1.100000
Total energy: -1594.208354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.208354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.208354 (E_RNA)
where:
Base-Base interactions energy: -1087.659
where: short stacking energy: -436.429
Base-Backbone interact. energy: -0.271
local terms energy: -506.278279
where:
bonds (distance) C4'-P energy: -104.174
bonds (distance) P-C4' energy: -101.597
flat angles C4'-P-C4' energy: -100.198
flat angles P-C4'-P energy: -76.529
tors. eta vs tors. theta energy: -123.781
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: 6, replica: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1533.396145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.396145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.396145 (E_RNA)
where:
Base-Base interactions energy: -1060.710
where: short stacking energy: -454.135
Base-Backbone interact. energy: -0.087
local terms energy: -472.598312
where:
bonds (distance) C4'-P energy: -95.291
bonds (distance) P-C4' energy: -79.813
flat angles C4'-P-C4' energy: -112.291
flat angles P-C4'-P energy: -65.936
tors. eta vs tors. theta energy: -119.267
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: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1373.929212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.929212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.929212 (E_RNA)
where:
Base-Base interactions energy: -929.085
where: short stacking energy: -394.328
Base-Backbone interact. energy: -3.757
local terms energy: -441.087734
where:
bonds (distance) C4'-P energy: -92.278
bonds (distance) P-C4' energy: -106.403
flat angles C4'-P-C4' energy: -88.954
flat angles P-C4'-P energy: -54.457
tors. eta vs tors. theta energy: -98.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1284.658908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.658908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.658908 (E_RNA)
where:
Base-Base interactions energy: -866.487
where: short stacking energy: -372.864
Base-Backbone interact. energy: -1.671
local terms energy: -416.500747
where:
bonds (distance) C4'-P energy: -86.258
bonds (distance) P-C4' energy: -102.422
flat angles C4'-P-C4' energy: -85.578
flat angles P-C4'-P energy: -66.163
tors. eta vs tors. theta energy: -76.080
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: 367
Temperature: 1.300000
Total energy: -769.252242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.252242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.252242 (E_RNA)
where:
Base-Base interactions energy: -417.938
where: short stacking energy: -192.997
Base-Backbone interact. energy: -1.677
local terms energy: -349.637603
where:
bonds (distance) C4'-P energy: -93.059
bonds (distance) P-C4' energy: -98.048
flat angles C4'-P-C4' energy: -75.010
flat angles P-C4'-P energy: -48.616
tors. eta vs tors. theta energy: -34.905
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: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -497.026942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.026942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.026942 (E_RNA)
where:
Base-Base interactions energy: -214.750
where: short stacking energy: -136.857
Base-Backbone interact. energy: -2.342
local terms energy: -279.935294
where:
bonds (distance) C4'-P energy: -82.281
bonds (distance) P-C4' energy: -97.133
flat angles C4'-P-C4' energy: -75.135
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: 12.228
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: 368
Temperature: 0.900000
Total energy: -1947.132937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.132937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.132937 (E_RNA)
where:
Base-Base interactions energy: -1353.311
where: short stacking energy: -590.807
Base-Backbone interact. energy: -4.478
local terms energy: -589.343698
where:
bonds (distance) C4'-P energy: -99.080
bonds (distance) P-C4' energy: -101.812
flat angles C4'-P-C4' energy: -128.090
flat angles P-C4'-P energy: -82.322
tors. eta vs tors. theta energy: -178.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1843.367350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.367350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.367350 (E_RNA)
where:
Base-Base interactions energy: -1240.359
where: short stacking energy: -541.076
Base-Backbone interact. energy: -0.495
local terms energy: -602.513208
where:
bonds (distance) C4'-P energy: -107.066
bonds (distance) P-C4' energy: -120.194
flat angles C4'-P-C4' energy: -114.809
flat angles P-C4'-P energy: -90.066
tors. eta vs tors. theta energy: -170.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1718.949866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.949866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.949866 (E_RNA)
where:
Base-Base interactions energy: -1176.892
where: short stacking energy: -514.512
Base-Backbone interact. energy: -2.612
local terms energy: -539.445245
where:
bonds (distance) C4'-P energy: -104.498
bonds (distance) P-C4' energy: -89.019
flat angles C4'-P-C4' energy: -120.560
flat angles P-C4'-P energy: -77.152
tors. eta vs tors. theta energy: -148.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1727.313450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.313450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.313450 (E_RNA)
where:
Base-Base interactions energy: -1193.237
where: short stacking energy: -511.214
Base-Backbone interact. energy: -1.791
local terms energy: -532.285225
where:
bonds (distance) C4'-P energy: -104.901
bonds (distance) P-C4' energy: -88.128
flat angles C4'-P-C4' energy: -117.114
flat angles P-C4'-P energy: -79.025
tors. eta vs tors. theta energy: -143.117
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: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1583.098676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.098676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.098676 (E_RNA)
where:
Base-Base interactions energy: -1069.237
where: short stacking energy: -424.814
Base-Backbone interact. energy: -3.449
local terms energy: -510.411999
where:
bonds (distance) C4'-P energy: -111.086
bonds (distance) P-C4' energy: -102.815
flat angles C4'-P-C4' energy: -109.187
flat angles P-C4'-P energy: -75.422
tors. eta vs tors. theta energy: -111.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1522.763915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.763915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.763915 (E_RNA)
where:
Base-Base interactions energy: -1047.976
where: short stacking energy: -421.168
Base-Backbone interact. energy: -1.985
local terms energy: -472.802320
where:
bonds (distance) C4'-P energy: -82.750
bonds (distance) P-C4' energy: -91.381
flat angles C4'-P-C4' energy: -109.503
flat angles P-C4'-P energy: -74.239
tors. eta vs tors. theta energy: -114.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1417.989637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.989637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.989637 (E_RNA)
where:
Base-Base interactions energy: -986.340
where: short stacking energy: -414.212
Base-Backbone interact. energy: 1.739
local terms energy: -433.387783
where:
bonds (distance) C4'-P energy: -72.821
bonds (distance) P-C4' energy: -97.311
flat angles C4'-P-C4' energy: -84.308
flat angles P-C4'-P energy: -74.466
tors. eta vs tors. theta energy: -104.482
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: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1240.573979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.573979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.573979 (E_RNA)
where:
Base-Base interactions energy: -821.062
where: short stacking energy: -361.322
Base-Backbone interact. energy: -1.670
local terms energy: -417.842383
where:
bonds (distance) C4'-P energy: -75.868
bonds (distance) P-C4' energy: -97.892
flat angles C4'-P-C4' energy: -103.919
flat angles P-C4'-P energy: -50.327
tors. eta vs tors. theta energy: -89.836
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: 368
Temperature: 1.300000
Total energy: -748.273342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.273342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.273342 (E_RNA)
where:
Base-Base interactions energy: -446.563
where: short stacking energy: -217.245
Base-Backbone interact. energy: -0.169
local terms energy: -301.541746
where:
bonds (distance) C4'-P energy: -78.109
bonds (distance) P-C4' energy: -99.459
flat angles C4'-P-C4' energy: -71.714
flat angles P-C4'-P energy: -37.207
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -547.228003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.228003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.228003 (E_RNA)
where:
Base-Base interactions energy: -262.017
where: short stacking energy: -167.534
Base-Backbone interact. energy: 0.254
local terms energy: -285.464084
where:
bonds (distance) C4'-P energy: -76.406
bonds (distance) P-C4' energy: -81.831
flat angles C4'-P-C4' energy: -84.131
flat angles P-C4'-P energy: -42.327
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1938.908507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.908507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.908507 (E_RNA)
where:
Base-Base interactions energy: -1329.292
where: short stacking energy: -577.018
Base-Backbone interact. energy: -2.000
local terms energy: -607.615743
where:
bonds (distance) C4'-P energy: -96.881
bonds (distance) P-C4' energy: -108.818
flat angles C4'-P-C4' energy: -131.522
flat angles P-C4'-P energy: -87.109
tors. eta vs tors. theta energy: -183.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1844.751423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.751423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.751423 (E_RNA)
where:
Base-Base interactions energy: -1243.217
where: short stacking energy: -537.912
Base-Backbone interact. energy: -2.506
local terms energy: -599.027766
where:
bonds (distance) C4'-P energy: -104.792
bonds (distance) P-C4' energy: -117.241
flat angles C4'-P-C4' energy: -123.246
flat angles P-C4'-P energy: -83.444
tors. eta vs tors. theta energy: -170.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1738.375654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.375654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.375654 (E_RNA)
where:
Base-Base interactions energy: -1163.099
where: short stacking energy: -509.388
Base-Backbone interact. energy: -3.126
local terms energy: -572.150972
where:
bonds (distance) C4'-P energy: -101.333
bonds (distance) P-C4' energy: -103.016
flat angles C4'-P-C4' energy: -127.964
flat angles P-C4'-P energy: -88.924
tors. eta vs tors. theta energy: -150.913
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: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1692.337240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.337240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.337240 (E_RNA)
where:
Base-Base interactions energy: -1133.284
where: short stacking energy: -489.723
Base-Backbone interact. energy: 0.551
local terms energy: -559.604704
where:
bonds (distance) C4'-P energy: -98.286
bonds (distance) P-C4' energy: -103.880
flat angles C4'-P-C4' energy: -123.639
flat angles P-C4'-P energy: -82.845
tors. eta vs tors. theta energy: -150.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1580.219631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.219631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.219631 (E_RNA)
where:
Base-Base interactions energy: -1078.193
where: short stacking energy: -443.831
Base-Backbone interact. energy: -1.300
local terms energy: -500.726650
where:
bonds (distance) C4'-P energy: -95.908
bonds (distance) P-C4' energy: -110.907
flat angles C4'-P-C4' energy: -97.359
flat angles P-C4'-P energy: -82.120
tors. eta vs tors. theta energy: -114.434
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: 369
Temperature: 1.150000
Total energy: -1507.630355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.630355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.630355 (E_RNA)
where:
Base-Base interactions energy: -1047.262
where: short stacking energy: -448.347
Base-Backbone interact. energy: -2.194
local terms energy: -458.174029
where:
bonds (distance) C4'-P energy: -75.607
bonds (distance) P-C4' energy: -77.264
flat angles C4'-P-C4' energy: -108.974
flat angles P-C4'-P energy: -77.831
tors. eta vs tors. theta energy: -118.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1357.139864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.139864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.139864 (E_RNA)
where:
Base-Base interactions energy: -930.445
where: short stacking energy: -366.400
Base-Backbone interact. energy: -2.113
local terms energy: -424.581868
where:
bonds (distance) C4'-P energy: -88.424
bonds (distance) P-C4' energy: -94.673
flat angles C4'-P-C4' energy: -92.553
flat angles P-C4'-P energy: -65.365
tors. eta vs tors. theta energy: -83.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1311.493629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.493629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.493629 (E_RNA)
where:
Base-Base interactions energy: -907.294
where: short stacking energy: -383.343
Base-Backbone interact. energy: 0.723
local terms energy: -404.922652
where:
bonds (distance) C4'-P energy: -79.042
bonds (distance) P-C4' energy: -105.350
flat angles C4'-P-C4' energy: -86.963
flat angles P-C4'-P energy: -42.568
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: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -742.569883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.569883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.569883 (E_RNA)
where:
Base-Base interactions energy: -421.585
where: short stacking energy: -202.539
Base-Backbone interact. energy: 0.304
local terms energy: -321.289327
where:
bonds (distance) C4'-P energy: -84.421
bonds (distance) P-C4' energy: -84.777
flat angles C4'-P-C4' energy: -74.758
flat angles P-C4'-P energy: -48.883
tors. eta vs tors. theta energy: -28.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -543.562135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.562135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.562135 (E_RNA)
where:
Base-Base interactions energy: -245.279
where: short stacking energy: -155.747
Base-Backbone interact. energy: 1.912
local terms energy: -300.195388
where:
bonds (distance) C4'-P energy: -81.887
bonds (distance) P-C4' energy: -106.778
flat angles C4'-P-C4' energy: -68.289
flat angles P-C4'-P energy: -43.391
tors. eta vs tors. theta energy: 0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1958.506502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.506502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.506502 (E_RNA)
where:
Base-Base interactions energy: -1342.657
where: short stacking energy: -590.602
Base-Backbone interact. energy: 1.509
local terms energy: -617.358402
where:
bonds (distance) C4'-P energy: -114.791
bonds (distance) P-C4' energy: -114.226
flat angles C4'-P-C4' energy: -122.699
flat angles P-C4'-P energy: -86.970
tors. eta vs tors. theta energy: -178.672
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: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1849.399739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.399739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.399739 (E_RNA)
where:
Base-Base interactions energy: -1280.910
where: short stacking energy: -563.691
Base-Backbone interact. energy: -3.095
local terms energy: -565.394616
where:
bonds (distance) C4'-P energy: -99.894
bonds (distance) P-C4' energy: -100.664
flat angles C4'-P-C4' energy: -119.337
flat angles P-C4'-P energy: -80.566
tors. eta vs tors. theta energy: -164.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1743.954855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.954855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.954855 (E_RNA)
where:
Base-Base interactions energy: -1203.032
where: short stacking energy: -515.890
Base-Backbone interact. energy: -3.159
local terms energy: -537.763723
where:
bonds (distance) C4'-P energy: -103.798
bonds (distance) P-C4' energy: -99.539
flat angles C4'-P-C4' energy: -110.221
flat angles P-C4'-P energy: -73.243
tors. eta vs tors. theta energy: -150.963
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: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1659.851424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.851424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.851424 (E_RNA)
where:
Base-Base interactions energy: -1131.748
where: short stacking energy: -488.550
Base-Backbone interact. energy: -2.517
local terms energy: -525.586011
where:
bonds (distance) C4'-P energy: -90.363
bonds (distance) P-C4' energy: -104.581
flat angles C4'-P-C4' energy: -111.385
flat angles P-C4'-P energy: -71.623
tors. eta vs tors. theta energy: -147.633
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: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1598.896150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.896150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.896150 (E_RNA)
where:
Base-Base interactions energy: -1102.739
where: short stacking energy: -450.525
Base-Backbone interact. energy: -3.595
local terms energy: -492.562422
where:
bonds (distance) C4'-P energy: -87.954
bonds (distance) P-C4' energy: -108.271
flat angles C4'-P-C4' energy: -108.795
flat angles P-C4'-P energy: -66.600
tors. eta vs tors. theta energy: -120.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1521.547089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.547089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.547089 (E_RNA)
where:
Base-Base interactions energy: -1043.232
where: short stacking energy: -456.698
Base-Backbone interact. energy: -0.790
local terms energy: -477.525545
where:
bonds (distance) C4'-P energy: -100.744
bonds (distance) P-C4' energy: -95.444
flat angles C4'-P-C4' energy: -105.422
flat angles P-C4'-P energy: -56.394
tors. eta vs tors. theta energy: -119.522
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: 2
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1327.910348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.910348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.910348 (E_RNA)
where:
Base-Base interactions energy: -888.214
where: short stacking energy: -394.750
Base-Backbone interact. energy: 1.432
local terms energy: -441.129211
where:
bonds (distance) C4'-P energy: -86.376
bonds (distance) P-C4' energy: -88.854
flat angles C4'-P-C4' energy: -107.973
flat angles P-C4'-P energy: -64.162
tors. eta vs tors. theta energy: -93.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1266.013768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.013768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.013768 (E_RNA)
where:
Base-Base interactions energy: -850.463
where: short stacking energy: -336.967
Base-Backbone interact. energy: -3.688
local terms energy: -411.862520
where:
bonds (distance) C4'-P energy: -88.425
bonds (distance) P-C4' energy: -95.009
flat angles C4'-P-C4' energy: -87.249
flat angles P-C4'-P energy: -59.627
tors. eta vs tors. theta energy: -81.553
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: 370
Temperature: 1.300000
Total energy: -772.574352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.574352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.574352 (E_RNA)
where:
Base-Base interactions energy: -447.673
where: short stacking energy: -235.874
Base-Backbone interact. energy: 1.537
local terms energy: -326.437922
where:
bonds (distance) C4'-P energy: -74.424
bonds (distance) P-C4' energy: -111.131
flat angles C4'-P-C4' energy: -90.968
flat angles P-C4'-P energy: -36.739
tors. eta vs tors. theta energy: -13.175
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: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -513.157764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.157764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.157764 (E_RNA)
where:
Base-Base interactions energy: -217.164
where: short stacking energy: -125.778
Base-Backbone interact. energy: 0.285
local terms energy: -296.279421
where:
bonds (distance) C4'-P energy: -95.696
bonds (distance) P-C4' energy: -108.156
flat angles C4'-P-C4' energy: -65.307
flat angles P-C4'-P energy: -34.700
tors. eta vs tors. theta energy: 7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1948.860064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.860064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.860064 (E_RNA)
where:
Base-Base interactions energy: -1337.456
where: short stacking energy: -583.666
Base-Backbone interact. energy: -1.972
local terms energy: -609.431896
where:
bonds (distance) C4'-P energy: -109.513
bonds (distance) P-C4' energy: -107.568
flat angles C4'-P-C4' energy: -132.494
flat angles P-C4'-P energy: -91.430
tors. eta vs tors. theta energy: -168.427
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: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1854.864250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.864250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.864250 (E_RNA)
where:
Base-Base interactions energy: -1300.090
where: short stacking energy: -544.503
Base-Backbone interact. energy: -0.635
local terms energy: -554.139363
where:
bonds (distance) C4'-P energy: -87.435
bonds (distance) P-C4' energy: -111.097
flat angles C4'-P-C4' energy: -116.491
flat angles P-C4'-P energy: -72.704
tors. eta vs tors. theta energy: -166.412
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: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1703.878723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.878723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.878723 (E_RNA)
where:
Base-Base interactions energy: -1147.280
where: short stacking energy: -517.660
Base-Backbone interact. energy: -2.308
local terms energy: -554.290082
where:
bonds (distance) C4'-P energy: -98.315
bonds (distance) P-C4' energy: -106.729
flat angles C4'-P-C4' energy: -126.238
flat angles P-C4'-P energy: -74.297
tors. eta vs tors. theta energy: -148.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1640.244381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.244381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.244381 (E_RNA)
where:
Base-Base interactions energy: -1112.121
where: short stacking energy: -482.783
Base-Backbone interact. energy: -0.268
local terms energy: -527.855297
where:
bonds (distance) C4'-P energy: -94.636
bonds (distance) P-C4' energy: -107.626
flat angles C4'-P-C4' energy: -117.132
flat angles P-C4'-P energy: -75.526
tors. eta vs tors. theta energy: -132.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1586.877724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.877724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.877724 (E_RNA)
where:
Base-Base interactions energy: -1080.231
where: short stacking energy: -447.802
Base-Backbone interact. energy: 0.010
local terms energy: -506.656232
where:
bonds (distance) C4'-P energy: -108.589
bonds (distance) P-C4' energy: -97.610
flat angles C4'-P-C4' energy: -101.954
flat angles P-C4'-P energy: -69.190
tors. eta vs tors. theta energy: -129.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1490.671105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.671105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.671105 (E_RNA)
where:
Base-Base interactions energy: -1011.291
where: short stacking energy: -429.937
Base-Backbone interact. energy: 1.839
local terms energy: -481.219064
where:
bonds (distance) C4'-P energy: -77.863
bonds (distance) P-C4' energy: -98.023
flat angles C4'-P-C4' energy: -104.652
flat angles P-C4'-P energy: -81.539
tors. eta vs tors. theta energy: -119.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1344.284239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.284239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.284239 (E_RNA)
where:
Base-Base interactions energy: -875.814
where: short stacking energy: -373.746
Base-Backbone interact. energy: 0.926
local terms energy: -469.395919
where:
bonds (distance) C4'-P energy: -92.065
bonds (distance) P-C4' energy: -96.685
flat angles C4'-P-C4' energy: -106.585
flat angles P-C4'-P energy: -70.351
tors. eta vs tors. theta energy: -103.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1237.662711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.662711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.662711 (E_RNA)
where:
Base-Base interactions energy: -855.448
where: short stacking energy: -359.413
Base-Backbone interact. energy: 3.168
local terms energy: -385.382673
where:
bonds (distance) C4'-P energy: -72.398
bonds (distance) P-C4' energy: -98.802
flat angles C4'-P-C4' energy: -97.537
flat angles P-C4'-P energy: -42.473
tors. eta vs tors. theta energy: -74.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -806.160673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.160673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.160673 (E_RNA)
where:
Base-Base interactions energy: -475.506
where: short stacking energy: -235.846
Base-Backbone interact. energy: -2.427
local terms energy: -328.227778
where:
bonds (distance) C4'-P energy: -69.101
bonds (distance) P-C4' energy: -89.019
flat angles C4'-P-C4' energy: -86.396
flat angles P-C4'-P energy: -42.739
tors. eta vs tors. theta energy: -40.972
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: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -492.384692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.384692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.384692 (E_RNA)
where:
Base-Base interactions energy: -217.134
where: short stacking energy: -149.812
Base-Backbone interact. energy: 3.872
local terms energy: -279.122277
where:
bonds (distance) C4'-P energy: -67.500
bonds (distance) P-C4' energy: -101.098
flat angles C4'-P-C4' energy: -75.884
flat angles P-C4'-P energy: -53.513
tors. eta vs tors. theta energy: 18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1920.971578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.971578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.971578 (E_RNA)
where:
Base-Base interactions energy: -1310.312
where: short stacking energy: -589.675
Base-Backbone interact. energy: -6.410
local terms energy: -604.249707
where:
bonds (distance) C4'-P energy: -109.446
bonds (distance) P-C4' energy: -102.992
flat angles C4'-P-C4' energy: -121.754
flat angles P-C4'-P energy: -82.998
tors. eta vs tors. theta energy: -187.060
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: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1919.853746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.853746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.853746 (E_RNA)
where:
Base-Base interactions energy: -1319.297
where: short stacking energy: -578.663
Base-Backbone interact. energy: 2.154
local terms energy: -602.710269
where:
bonds (distance) C4'-P energy: -101.762
bonds (distance) P-C4' energy: -120.466
flat angles C4'-P-C4' energy: -118.029
flat angles P-C4'-P energy: -86.912
tors. eta vs tors. theta energy: -175.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1729.018817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.018817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.018817 (E_RNA)
where:
Base-Base interactions energy: -1161.843
where: short stacking energy: -499.936
Base-Backbone interact. energy: -2.780
local terms energy: -564.395835
where:
bonds (distance) C4'-P energy: -106.629
bonds (distance) P-C4' energy: -115.051
flat angles C4'-P-C4' energy: -116.327
flat angles P-C4'-P energy: -69.265
tors. eta vs tors. theta energy: -157.124
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: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1636.628474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.628474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.628474 (E_RNA)
where:
Base-Base interactions energy: -1119.180
where: short stacking energy: -481.301
Base-Backbone interact. energy: 1.058
local terms energy: -518.506318
where:
bonds (distance) C4'-P energy: -103.992
bonds (distance) P-C4' energy: -95.303
flat angles C4'-P-C4' energy: -112.182
flat angles P-C4'-P energy: -67.189
tors. eta vs tors. theta energy: -139.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1545.427212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.427212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.427212 (E_RNA)
where:
Base-Base interactions energy: -1048.818
where: short stacking energy: -448.027
Base-Backbone interact. energy: 1.553
local terms energy: -498.162342
where:
bonds (distance) C4'-P energy: -100.853
bonds (distance) P-C4' energy: -100.419
flat angles C4'-P-C4' energy: -103.758
flat angles P-C4'-P energy: -69.939
tors. eta vs tors. theta energy: -123.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1500.817799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.817799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.817799 (E_RNA)
where:
Base-Base interactions energy: -1000.768
where: short stacking energy: -433.107
Base-Backbone interact. energy: -2.308
local terms energy: -497.742065
where:
bonds (distance) C4'-P energy: -96.467
bonds (distance) P-C4' energy: -98.488
flat angles C4'-P-C4' energy: -105.933
flat angles P-C4'-P energy: -74.864
tors. eta vs tors. theta energy: -121.990
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: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1374.443561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.443561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.443561 (E_RNA)
where:
Base-Base interactions energy: -933.912
where: short stacking energy: -404.519
Base-Backbone interact. energy: -1.154
local terms energy: -439.377841
where:
bonds (distance) C4'-P energy: -69.812
bonds (distance) P-C4' energy: -83.068
flat angles C4'-P-C4' energy: -110.366
flat angles P-C4'-P energy: -67.158
tors. eta vs tors. theta energy: -108.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1275.521409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.521409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.521409 (E_RNA)
where:
Base-Base interactions energy: -843.166
where: short stacking energy: -332.417
Base-Backbone interact. energy: -2.820
local terms energy: -429.535353
where:
bonds (distance) C4'-P energy: -92.783
bonds (distance) P-C4' energy: -98.410
flat angles C4'-P-C4' energy: -108.540
flat angles P-C4'-P energy: -53.956
tors. eta vs tors. theta energy: -75.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -719.471583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.471583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.471583 (E_RNA)
where:
Base-Base interactions energy: -418.365
where: short stacking energy: -206.598
Base-Backbone interact. energy: -2.505
local terms energy: -298.601288
where:
bonds (distance) C4'-P energy: -83.435
bonds (distance) P-C4' energy: -82.573
flat angles C4'-P-C4' energy: -84.712
flat angles P-C4'-P energy: -35.051
tors. eta vs tors. theta energy: -12.830
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: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -542.365950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.365950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.365950 (E_RNA)
where:
Base-Base interactions energy: -226.796
where: short stacking energy: -171.948
Base-Backbone interact. energy: 1.815
local terms energy: -317.384466
where:
bonds (distance) C4'-P energy: -96.906
bonds (distance) P-C4' energy: -93.855
flat angles C4'-P-C4' energy: -75.876
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -18.081
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: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1938.220167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.220167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.220167 (E_RNA)
where:
Base-Base interactions energy: -1330.602
where: short stacking energy: -581.691
Base-Backbone interact. energy: -2.950
local terms energy: -604.668994
where:
bonds (distance) C4'-P energy: -104.570
bonds (distance) P-C4' energy: -107.849
flat angles C4'-P-C4' energy: -123.270
flat angles P-C4'-P energy: -92.209
tors. eta vs tors. theta energy: -176.771
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: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1897.621824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.621824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.621824 (E_RNA)
where:
Base-Base interactions energy: -1317.326
where: short stacking energy: -575.629
Base-Backbone interact. energy: 1.806
local terms energy: -582.101624
where:
bonds (distance) C4'-P energy: -99.912
bonds (distance) P-C4' energy: -109.591
flat angles C4'-P-C4' energy: -128.987
flat angles P-C4'-P energy: -73.148
tors. eta vs tors. theta energy: -170.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1711.347789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.347789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.347789 (E_RNA)
where:
Base-Base interactions energy: -1167.861
where: short stacking energy: -487.289
Base-Backbone interact. energy: -4.531
local terms energy: -538.955929
where:
bonds (distance) C4'-P energy: -106.585
bonds (distance) P-C4' energy: -107.540
flat angles C4'-P-C4' energy: -105.236
flat angles P-C4'-P energy: -73.997
tors. eta vs tors. theta energy: -145.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1643.832232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.832232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.832232 (E_RNA)
where:
Base-Base interactions energy: -1129.246
where: short stacking energy: -487.451
Base-Backbone interact. energy: -0.564
local terms energy: -514.021736
where:
bonds (distance) C4'-P energy: -93.050
bonds (distance) P-C4' energy: -100.203
flat angles C4'-P-C4' energy: -119.491
flat angles P-C4'-P energy: -71.971
tors. eta vs tors. theta energy: -129.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1529.624000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.624000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.624000 (E_RNA)
where:
Base-Base interactions energy: -1072.361
where: short stacking energy: -460.587
Base-Backbone interact. energy: -1.814
local terms energy: -455.448730
where:
bonds (distance) C4'-P energy: -94.011
bonds (distance) P-C4' energy: -93.430
flat angles C4'-P-C4' energy: -89.327
flat angles P-C4'-P energy: -59.960
tors. eta vs tors. theta energy: -118.721
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: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1500.568376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.568376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.568376 (E_RNA)
where:
Base-Base interactions energy: -1002.574
where: short stacking energy: -430.723
Base-Backbone interact. energy: -1.524
local terms energy: -496.470449
where:
bonds (distance) C4'-P energy: -73.904
bonds (distance) P-C4' energy: -118.124
flat angles C4'-P-C4' energy: -107.092
flat angles P-C4'-P energy: -75.188
tors. eta vs tors. theta energy: -122.163
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: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1372.582007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.582007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.582007 (E_RNA)
where:
Base-Base interactions energy: -911.445
where: short stacking energy: -394.544
Base-Backbone interact. energy: -2.995
local terms energy: -458.142241
where:
bonds (distance) C4'-P energy: -96.934
bonds (distance) P-C4' energy: -95.387
flat angles C4'-P-C4' energy: -101.001
flat angles P-C4'-P energy: -63.432
tors. eta vs tors. theta energy: -101.389
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: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1261.063184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.063184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.063184 (E_RNA)
where:
Base-Base interactions energy: -853.887
where: short stacking energy: -353.113
Base-Backbone interact. energy: -0.634
local terms energy: -406.542514
where:
bonds (distance) C4'-P energy: -87.383
bonds (distance) P-C4' energy: -103.305
flat angles C4'-P-C4' energy: -94.871
flat angles P-C4'-P energy: -48.788
tors. eta vs tors. theta energy: -72.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -733.138540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.138540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.138540 (E_RNA)
where:
Base-Base interactions energy: -429.817
where: short stacking energy: -219.008
Base-Backbone interact. energy: -1.039
local terms energy: -302.282896
where:
bonds (distance) C4'-P energy: -71.673
bonds (distance) P-C4' energy: -86.859
flat angles C4'-P-C4' energy: -75.052
flat angles P-C4'-P energy: -51.693
tors. eta vs tors. theta energy: -17.006
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: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -558.538919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.538919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.538919 (E_RNA)
where:
Base-Base interactions energy: -244.519
where: short stacking energy: -155.252
Base-Backbone interact. energy: 5.055
local terms energy: -319.074423
where:
bonds (distance) C4'-P energy: -100.158
bonds (distance) P-C4' energy: -82.200
flat angles C4'-P-C4' energy: -83.939
flat angles P-C4'-P energy: -58.731
tors. eta vs tors. theta energy: 5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1921.163692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.163692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.163692 (E_RNA)
where:
Base-Base interactions energy: -1320.975
where: short stacking energy: -581.098
Base-Backbone interact. energy: -3.497
local terms energy: -596.691897
where:
bonds (distance) C4'-P energy: -108.257
bonds (distance) P-C4' energy: -107.418
flat angles C4'-P-C4' energy: -121.689
flat angles P-C4'-P energy: -74.423
tors. eta vs tors. theta energy: -184.906
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: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1905.161431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.161431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.161431 (E_RNA)
where:
Base-Base interactions energy: -1320.533
where: short stacking energy: -560.498
Base-Backbone interact. energy: -2.867
local terms energy: -581.761638
where:
bonds (distance) C4'-P energy: -103.432
bonds (distance) P-C4' energy: -102.391
flat angles C4'-P-C4' energy: -111.011
flat angles P-C4'-P energy: -87.284
tors. eta vs tors. theta energy: -177.643
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: 3, replica: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1685.782295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.782295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.782295 (E_RNA)
where:
Base-Base interactions energy: -1120.893
where: short stacking energy: -496.667
Base-Backbone interact. energy: -1.900
local terms energy: -562.989322
where:
bonds (distance) C4'-P energy: -108.498
bonds (distance) P-C4' energy: -113.130
flat angles C4'-P-C4' energy: -118.908
flat angles P-C4'-P energy: -81.350
tors. eta vs tors. theta energy: -141.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1619.216517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.216517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.216517 (E_RNA)
where:
Base-Base interactions energy: -1102.180
where: short stacking energy: -458.407
Base-Backbone interact. energy: -0.717
local terms energy: -516.319405
where:
bonds (distance) C4'-P energy: -91.700
bonds (distance) P-C4' energy: -108.304
flat angles C4'-P-C4' energy: -111.645
flat angles P-C4'-P energy: -80.711
tors. eta vs tors. theta energy: -123.959
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: 374
Temperature: 1.100000
Total energy: -1563.416384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.416384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.416384 (E_RNA)
where:
Base-Base interactions energy: -1091.246
where: short stacking energy: -457.113
Base-Backbone interact. energy: -2.645
local terms energy: -469.525187
where:
bonds (distance) C4'-P energy: -79.199
bonds (distance) P-C4' energy: -93.824
flat angles C4'-P-C4' energy: -105.466
flat angles P-C4'-P energy: -64.017
tors. eta vs tors. theta energy: -127.019
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: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1530.292074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.292074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.292074 (E_RNA)
where:
Base-Base interactions energy: -1042.998
where: short stacking energy: -440.294
Base-Backbone interact. energy: 0.891
local terms energy: -488.184778
where:
bonds (distance) C4'-P energy: -76.446
bonds (distance) P-C4' energy: -102.298
flat angles C4'-P-C4' energy: -105.138
flat angles P-C4'-P energy: -74.512
tors. eta vs tors. theta energy: -129.790
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: 2
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1345.716219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.716219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.716219 (E_RNA)
where:
Base-Base interactions energy: -897.442
where: short stacking energy: -399.045
Base-Backbone interact. energy: -2.562
local terms energy: -445.711762
where:
bonds (distance) C4'-P energy: -89.999
bonds (distance) P-C4' energy: -87.505
flat angles C4'-P-C4' energy: -106.783
flat angles P-C4'-P energy: -82.788
tors. eta vs tors. theta energy: -78.636
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: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1273.517748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.517748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.517748 (E_RNA)
where:
Base-Base interactions energy: -848.022
where: short stacking energy: -353.096
Base-Backbone interact. energy: -0.729
local terms energy: -424.766771
where:
bonds (distance) C4'-P energy: -92.607
bonds (distance) P-C4' energy: -104.582
flat angles C4'-P-C4' energy: -96.306
flat angles P-C4'-P energy: -59.486
tors. eta vs tors. theta energy: -71.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -789.279200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.279200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.279200 (E_RNA)
where:
Base-Base interactions energy: -444.880
where: short stacking energy: -221.289
Base-Backbone interact. energy: -0.875
local terms energy: -343.524069
where:
bonds (distance) C4'-P energy: -80.880
bonds (distance) P-C4' energy: -101.468
flat angles C4'-P-C4' energy: -90.259
flat angles P-C4'-P energy: -54.898
tors. eta vs tors. theta energy: -16.019
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: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -480.539796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.539796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.539796 (E_RNA)
where:
Base-Base interactions energy: -187.833
where: short stacking energy: -132.329
Base-Backbone interact. energy: -1.219
local terms energy: -291.487496
where:
bonds (distance) C4'-P energy: -83.363
bonds (distance) P-C4' energy: -92.570
flat angles C4'-P-C4' energy: -91.711
flat angles P-C4'-P energy: -35.910
tors. eta vs tors. theta energy: 12.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1919.412869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.412869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.412869 (E_RNA)
where:
Base-Base interactions energy: -1322.604
where: short stacking energy: -560.788
Base-Backbone interact. energy: -2.242
local terms energy: -594.566260
where:
bonds (distance) C4'-P energy: -106.986
bonds (distance) P-C4' energy: -108.039
flat angles C4'-P-C4' energy: -124.719
flat angles P-C4'-P energy: -85.831
tors. eta vs tors. theta energy: -168.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1923.713794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.713794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.713794 (E_RNA)
where:
Base-Base interactions energy: -1311.705
where: short stacking energy: -568.144
Base-Backbone interact. energy: -0.927
local terms energy: -611.080893
where:
bonds (distance) C4'-P energy: -104.400
bonds (distance) P-C4' energy: -112.960
flat angles C4'-P-C4' energy: -132.167
flat angles P-C4'-P energy: -93.270
tors. eta vs tors. theta energy: -168.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1718.473412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.473412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.473412 (E_RNA)
where:
Base-Base interactions energy: -1165.242
where: short stacking energy: -517.628
Base-Backbone interact. energy: -3.000
local terms energy: -550.231032
where:
bonds (distance) C4'-P energy: -103.797
bonds (distance) P-C4' energy: -104.419
flat angles C4'-P-C4' energy: -115.702
flat angles P-C4'-P energy: -78.914
tors. eta vs tors. theta energy: -147.399
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: 375
Temperature: 1.050000
Total energy: -1607.132763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.132763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.132763 (E_RNA)
where:
Base-Base interactions energy: -1074.377
where: short stacking energy: -468.213
Base-Backbone interact. energy: -1.187
local terms energy: -531.568504
where:
bonds (distance) C4'-P energy: -103.876
bonds (distance) P-C4' energy: -106.648
flat angles C4'-P-C4' energy: -118.287
flat angles P-C4'-P energy: -71.094
tors. eta vs tors. theta energy: -131.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1579.791982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.791982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.791982 (E_RNA)
where:
Base-Base interactions energy: -1074.990
where: short stacking energy: -473.054
Base-Backbone interact. energy: -2.713
local terms energy: -502.089677
where:
bonds (distance) C4'-P energy: -101.427
bonds (distance) P-C4' energy: -100.951
flat angles C4'-P-C4' energy: -100.768
flat angles P-C4'-P energy: -71.103
tors. eta vs tors. theta energy: -127.840
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: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1499.163157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.163157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.163157 (E_RNA)
where:
Base-Base interactions energy: -1024.252
where: short stacking energy: -454.917
Base-Backbone interact. energy: -1.170
local terms energy: -473.740711
where:
bonds (distance) C4'-P energy: -79.745
bonds (distance) P-C4' energy: -116.201
flat angles C4'-P-C4' energy: -105.854
flat angles P-C4'-P energy: -59.848
tors. eta vs tors. theta energy: -112.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1381.636278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.636278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.636278 (E_RNA)
where:
Base-Base interactions energy: -911.707
where: short stacking energy: -416.251
Base-Backbone interact. energy: -4.756
local terms energy: -465.173667
where:
bonds (distance) C4'-P energy: -92.273
bonds (distance) P-C4' energy: -103.839
flat angles C4'-P-C4' energy: -103.721
flat angles P-C4'-P energy: -58.525
tors. eta vs tors. theta energy: -106.817
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: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1258.825203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.825203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.825203 (E_RNA)
where:
Base-Base interactions energy: -840.916
where: short stacking energy: -350.746
Base-Backbone interact. energy: 1.821
local terms energy: -419.730189
where:
bonds (distance) C4'-P energy: -83.188
bonds (distance) P-C4' energy: -90.246
flat angles C4'-P-C4' energy: -103.365
flat angles P-C4'-P energy: -61.148
tors. eta vs tors. theta energy: -81.783
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: 375
Temperature: 1.300000
Total energy: -795.202460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.202460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.202460 (E_RNA)
where:
Base-Base interactions energy: -463.033
where: short stacking energy: -223.555
Base-Backbone interact. energy: 4.509
local terms energy: -336.678741
where:
bonds (distance) C4'-P energy: -84.027
bonds (distance) P-C4' energy: -91.166
flat angles C4'-P-C4' energy: -62.762
flat angles P-C4'-P energy: -57.386
tors. eta vs tors. theta energy: -41.338
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: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -471.925166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.925166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.925166 (E_RNA)
where:
Base-Base interactions energy: -206.488
where: short stacking energy: -134.207
Base-Backbone interact. energy: 5.289
local terms energy: -270.726155
where:
bonds (distance) C4'-P energy: -88.951
bonds (distance) P-C4' energy: -90.461
flat angles C4'-P-C4' energy: -84.813
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: 14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1953.759602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.759602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.759602 (E_RNA)
where:
Base-Base interactions energy: -1351.149
where: short stacking energy: -576.147
Base-Backbone interact. energy: -3.763
local terms energy: -598.847749
where:
bonds (distance) C4'-P energy: -113.819
bonds (distance) P-C4' energy: -102.714
flat angles C4'-P-C4' energy: -127.111
flat angles P-C4'-P energy: -79.393
tors. eta vs tors. theta energy: -175.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1889.402617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.402617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.402617 (E_RNA)
where:
Base-Base interactions energy: -1296.369
where: short stacking energy: -551.567
Base-Backbone interact. energy: -2.063
local terms energy: -590.970557
where:
bonds (distance) C4'-P energy: -112.290
bonds (distance) P-C4' energy: -96.481
flat angles C4'-P-C4' energy: -121.185
flat angles P-C4'-P energy: -89.331
tors. eta vs tors. theta energy: -171.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1723.965207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.965207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.965207 (E_RNA)
where:
Base-Base interactions energy: -1180.620
where: short stacking energy: -522.778
Base-Backbone interact. energy: 0.598
local terms energy: -543.943131
where:
bonds (distance) C4'-P energy: -84.706
bonds (distance) P-C4' energy: -113.284
flat angles C4'-P-C4' energy: -124.295
flat angles P-C4'-P energy: -73.089
tors. eta vs tors. theta energy: -148.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1619.285627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.285627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.285627 (E_RNA)
where:
Base-Base interactions energy: -1089.738
where: short stacking energy: -465.454
Base-Backbone interact. energy: -2.846
local terms energy: -526.701754
where:
bonds (distance) C4'-P energy: -101.068
bonds (distance) P-C4' energy: -94.796
flat angles C4'-P-C4' energy: -115.502
flat angles P-C4'-P energy: -79.388
tors. eta vs tors. theta energy: -135.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1584.240867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.240867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.240867 (E_RNA)
where:
Base-Base interactions energy: -1076.133
where: short stacking energy: -478.107
Base-Backbone interact. energy: 0.857
local terms energy: -508.964767
where:
bonds (distance) C4'-P energy: -103.006
bonds (distance) P-C4' energy: -101.199
flat angles C4'-P-C4' energy: -102.865
flat angles P-C4'-P energy: -78.538
tors. eta vs tors. theta energy: -123.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1519.040476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.040476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.040476 (E_RNA)
where:
Base-Base interactions energy: -1039.231
where: short stacking energy: -461.417
Base-Backbone interact. energy: 2.928
local terms energy: -482.737514
where:
bonds (distance) C4'-P energy: -85.133
bonds (distance) P-C4' energy: -93.623
flat angles C4'-P-C4' energy: -112.666
flat angles P-C4'-P energy: -72.934
tors. eta vs tors. theta energy: -118.381
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: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1351.863545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.863545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.863545 (E_RNA)
where:
Base-Base interactions energy: -897.981
where: short stacking energy: -382.816
Base-Backbone interact. energy: -2.782
local terms energy: -451.101370
where:
bonds (distance) C4'-P energy: -80.251
bonds (distance) P-C4' energy: -90.118
flat angles C4'-P-C4' energy: -104.609
flat angles P-C4'-P energy: -65.639
tors. eta vs tors. theta energy: -110.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1282.787259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.787259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.787259 (E_RNA)
where:
Base-Base interactions energy: -877.203
where: short stacking energy: -354.414
Base-Backbone interact. energy: -0.652
local terms energy: -404.932201
where:
bonds (distance) C4'-P energy: -92.559
bonds (distance) P-C4' energy: -78.021
flat angles C4'-P-C4' energy: -110.773
flat angles P-C4'-P energy: -51.027
tors. eta vs tors. theta energy: -72.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -773.333637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.333637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.333637 (E_RNA)
where:
Base-Base interactions energy: -457.941
where: short stacking energy: -219.310
Base-Backbone interact. energy: 5.130
local terms energy: -320.523441
where:
bonds (distance) C4'-P energy: -76.533
bonds (distance) P-C4' energy: -94.252
flat angles C4'-P-C4' energy: -69.045
flat angles P-C4'-P energy: -58.401
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -485.605236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.605236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.605236 (E_RNA)
where:
Base-Base interactions energy: -202.103
where: short stacking energy: -146.098
Base-Backbone interact. energy: -0.471
local terms energy: -283.031696
where:
bonds (distance) C4'-P energy: -97.123
bonds (distance) P-C4' energy: -82.462
flat angles C4'-P-C4' energy: -80.392
flat angles P-C4'-P energy: -45.368
tors. eta vs tors. theta energy: 22.314
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: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1919.402101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.402101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.402101 (E_RNA)
where:
Base-Base interactions energy: -1304.077
where: short stacking energy: -560.496
Base-Backbone interact. energy: -6.132
local terms energy: -609.193495
where:
bonds (distance) C4'-P energy: -108.887
bonds (distance) P-C4' energy: -115.203
flat angles C4'-P-C4' energy: -127.456
flat angles P-C4'-P energy: -83.701
tors. eta vs tors. theta energy: -173.947
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: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1905.790195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.790195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.790195 (E_RNA)
where:
Base-Base interactions energy: -1326.129
where: short stacking energy: -575.726
Base-Backbone interact. energy: 1.644
local terms energy: -581.305172
where:
bonds (distance) C4'-P energy: -90.200
bonds (distance) P-C4' energy: -109.357
flat angles C4'-P-C4' energy: -129.051
flat angles P-C4'-P energy: -85.122
tors. eta vs tors. theta energy: -167.574
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: 377
Temperature: 1.000000
Total energy: -1716.086012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.086012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.086012 (E_RNA)
where:
Base-Base interactions energy: -1161.895
where: short stacking energy: -490.780
Base-Backbone interact. energy: -2.549
local terms energy: -551.642435
where:
bonds (distance) C4'-P energy: -95.585
bonds (distance) P-C4' energy: -114.945
flat angles C4'-P-C4' energy: -121.811
flat angles P-C4'-P energy: -76.882
tors. eta vs tors. theta energy: -142.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1665.080348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.080348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.080348 (E_RNA)
where:
Base-Base interactions energy: -1127.817
where: short stacking energy: -517.629
Base-Backbone interact. energy: -2.390
local terms energy: -534.872943
where:
bonds (distance) C4'-P energy: -95.465
bonds (distance) P-C4' energy: -102.698
flat angles C4'-P-C4' energy: -115.764
flat angles P-C4'-P energy: -72.324
tors. eta vs tors. theta energy: -148.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1596.920187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.920187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.920187 (E_RNA)
where:
Base-Base interactions energy: -1086.727
where: short stacking energy: -475.285
Base-Backbone interact. energy: -2.126
local terms energy: -508.067240
where:
bonds (distance) C4'-P energy: -101.159
bonds (distance) P-C4' energy: -96.467
flat angles C4'-P-C4' energy: -106.860
flat angles P-C4'-P energy: -79.102
tors. eta vs tors. theta energy: -124.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1427.698450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.698450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.698450 (E_RNA)
where:
Base-Base interactions energy: -958.063
where: short stacking energy: -425.508
Base-Backbone interact. energy: -0.500
local terms energy: -469.135183
where:
bonds (distance) C4'-P energy: -90.860
bonds (distance) P-C4' energy: -89.817
flat angles C4'-P-C4' energy: -101.420
flat angles P-C4'-P energy: -65.728
tors. eta vs tors. theta energy: -121.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1431.784651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.784651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.784651 (E_RNA)
where:
Base-Base interactions energy: -961.651
where: short stacking energy: -407.674
Base-Backbone interact. energy: 0.039
local terms energy: -470.172688
where:
bonds (distance) C4'-P energy: -101.125
bonds (distance) P-C4' energy: -90.769
flat angles C4'-P-C4' energy: -108.810
flat angles P-C4'-P energy: -57.761
tors. eta vs tors. theta energy: -111.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1275.439989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.439989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.439989 (E_RNA)
where:
Base-Base interactions energy: -890.663
where: short stacking energy: -354.190
Base-Backbone interact. energy: 1.642
local terms energy: -386.419256
where:
bonds (distance) C4'-P energy: -84.503
bonds (distance) P-C4' energy: -77.353
flat angles C4'-P-C4' energy: -79.511
flat angles P-C4'-P energy: -69.512
tors. eta vs tors. theta energy: -75.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -800.233233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.233233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.233233 (E_RNA)
where:
Base-Base interactions energy: -447.061
where: short stacking energy: -214.577
Base-Backbone interact. energy: -1.927
local terms energy: -351.245568
where:
bonds (distance) C4'-P energy: -100.189
bonds (distance) P-C4' energy: -88.192
flat angles C4'-P-C4' energy: -85.415
flat angles P-C4'-P energy: -56.034
tors. eta vs tors. theta energy: -21.416
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: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -487.869143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.869143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.869143 (E_RNA)
where:
Base-Base interactions energy: -215.069
where: short stacking energy: -149.539
Base-Backbone interact. energy: -0.201
local terms energy: -272.599269
where:
bonds (distance) C4'-P energy: -73.802
bonds (distance) P-C4' energy: -89.410
flat angles C4'-P-C4' energy: -67.656
flat angles P-C4'-P energy: -51.219
tors. eta vs tors. theta energy: 9.488
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: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1936.130361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.130361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.130361 (E_RNA)
where:
Base-Base interactions energy: -1308.046
where: short stacking energy: -580.778
Base-Backbone interact. energy: -4.554
local terms energy: -623.530208
where:
bonds (distance) C4'-P energy: -112.855
bonds (distance) P-C4' energy: -111.625
flat angles C4'-P-C4' energy: -130.615
flat angles P-C4'-P energy: -93.007
tors. eta vs tors. theta energy: -175.427
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: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1901.571066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.571066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.571066 (E_RNA)
where:
Base-Base interactions energy: -1274.312
where: short stacking energy: -588.467
Base-Backbone interact. energy: -1.702
local terms energy: -625.557803
where:
bonds (distance) C4'-P energy: -117.279
bonds (distance) P-C4' energy: -115.585
flat angles C4'-P-C4' energy: -133.347
flat angles P-C4'-P energy: -89.451
tors. eta vs tors. theta energy: -169.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1762.996697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.996697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.996697 (E_RNA)
where:
Base-Base interactions energy: -1182.239
where: short stacking energy: -529.858
Base-Backbone interact. energy: 0.341
local terms energy: -581.099646
where:
bonds (distance) C4'-P energy: -118.013
bonds (distance) P-C4' energy: -99.458
flat angles C4'-P-C4' energy: -123.319
flat angles P-C4'-P energy: -76.988
tors. eta vs tors. theta energy: -163.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1642.988241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.988241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.988241 (E_RNA)
where:
Base-Base interactions energy: -1131.171
where: short stacking energy: -503.331
Base-Backbone interact. energy: -2.076
local terms energy: -509.741551
where:
bonds (distance) C4'-P energy: -88.598
bonds (distance) P-C4' energy: -73.850
flat angles C4'-P-C4' energy: -122.279
flat angles P-C4'-P energy: -79.982
tors. eta vs tors. theta energy: -145.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1570.074828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.074828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.074828 (E_RNA)
where:
Base-Base interactions energy: -1079.408
where: short stacking energy: -452.366
Base-Backbone interact. energy: 2.098
local terms energy: -492.764137
where:
bonds (distance) C4'-P energy: -87.765
bonds (distance) P-C4' energy: -96.485
flat angles C4'-P-C4' energy: -113.664
flat angles P-C4'-P energy: -63.965
tors. eta vs tors. theta energy: -130.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1444.590493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.590493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.590493 (E_RNA)
where:
Base-Base interactions energy: -975.396
where: short stacking energy: -401.142
Base-Backbone interact. energy: -1.127
local terms energy: -468.066757
where:
bonds (distance) C4'-P energy: -103.882
bonds (distance) P-C4' energy: -93.804
flat angles C4'-P-C4' energy: -101.985
flat angles P-C4'-P energy: -67.501
tors. eta vs tors. theta energy: -100.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1390.430090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.430090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.430090 (E_RNA)
where:
Base-Base interactions energy: -929.346
where: short stacking energy: -392.126
Base-Backbone interact. energy: 0.952
local terms energy: -462.036031
where:
bonds (distance) C4'-P energy: -93.241
bonds (distance) P-C4' energy: -96.110
flat angles C4'-P-C4' energy: -97.659
flat angles P-C4'-P energy: -75.384
tors. eta vs tors. theta energy: -99.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1283.388898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.388898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.388898 (E_RNA)
where:
Base-Base interactions energy: -855.680
where: short stacking energy: -345.955
Base-Backbone interact. energy: 5.901
local terms energy: -433.609713
where:
bonds (distance) C4'-P energy: -89.935
bonds (distance) P-C4' energy: -96.319
flat angles C4'-P-C4' energy: -102.815
flat angles P-C4'-P energy: -65.462
tors. eta vs tors. theta energy: -79.080
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: 378
Temperature: 1.300000
Total energy: -758.505433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.505433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.505433 (E_RNA)
where:
Base-Base interactions energy: -407.786
where: short stacking energy: -177.343
Base-Backbone interact. energy: -0.836
local terms energy: -349.883756
where:
bonds (distance) C4'-P energy: -105.084
bonds (distance) P-C4' energy: -88.048
flat angles C4'-P-C4' energy: -91.313
flat angles P-C4'-P energy: -52.519
tors. eta vs tors. theta energy: -12.920
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: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -499.045623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.045623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.045623 (E_RNA)
where:
Base-Base interactions energy: -214.626
where: short stacking energy: -149.579
Base-Backbone interact. energy: 6.508
local terms energy: -290.926955
where:
bonds (distance) C4'-P energy: -88.773
bonds (distance) P-C4' energy: -95.863
flat angles C4'-P-C4' energy: -86.069
flat angles P-C4'-P energy: -39.225
tors. eta vs tors. theta energy: 19.003
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: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1899.864610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.864610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.864610 (E_RNA)
where:
Base-Base interactions energy: -1304.960
where: short stacking energy: -561.965
Base-Backbone interact. energy: -2.771
local terms energy: -592.133884
where:
bonds (distance) C4'-P energy: -107.390
bonds (distance) P-C4' energy: -117.487
flat angles C4'-P-C4' energy: -122.448
flat angles P-C4'-P energy: -76.396
tors. eta vs tors. theta energy: -168.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1902.056395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.056395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.056395 (E_RNA)
where:
Base-Base interactions energy: -1315.037
where: short stacking energy: -573.031
Base-Backbone interact. energy: -4.225
local terms energy: -582.795205
where:
bonds (distance) C4'-P energy: -104.210
bonds (distance) P-C4' energy: -109.803
flat angles C4'-P-C4' energy: -114.405
flat angles P-C4'-P energy: -83.318
tors. eta vs tors. theta energy: -171.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1746.190633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.190633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.190633 (E_RNA)
where:
Base-Base interactions energy: -1193.869
where: short stacking energy: -504.130
Base-Backbone interact. energy: -3.870
local terms energy: -548.450776
where:
bonds (distance) C4'-P energy: -94.662
bonds (distance) P-C4' energy: -104.806
flat angles C4'-P-C4' energy: -113.139
flat angles P-C4'-P energy: -84.648
tors. eta vs tors. theta energy: -151.196
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: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1629.415452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.415452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.415452 (E_RNA)
where:
Base-Base interactions energy: -1100.483
where: short stacking energy: -465.539
Base-Backbone interact. energy: -1.066
local terms energy: -527.866414
where:
bonds (distance) C4'-P energy: -98.279
bonds (distance) P-C4' energy: -103.918
flat angles C4'-P-C4' energy: -107.647
flat angles P-C4'-P energy: -88.548
tors. eta vs tors. theta energy: -129.474
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: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1635.849273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.849273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.849273 (E_RNA)
where:
Base-Base interactions energy: -1128.083
where: short stacking energy: -480.250
Base-Backbone interact. energy: -1.721
local terms energy: -506.045316
where:
bonds (distance) C4'-P energy: -84.759
bonds (distance) P-C4' energy: -100.301
flat angles C4'-P-C4' energy: -111.684
flat angles P-C4'-P energy: -67.300
tors. eta vs tors. theta energy: -142.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1474.061889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.061889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.061889 (E_RNA)
where:
Base-Base interactions energy: -993.909
where: short stacking energy: -411.310
Base-Backbone interact. energy: -1.222
local terms energy: -478.931043
where:
bonds (distance) C4'-P energy: -86.982
bonds (distance) P-C4' energy: -103.947
flat angles C4'-P-C4' energy: -109.275
flat angles P-C4'-P energy: -68.473
tors. eta vs tors. theta energy: -110.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1408.126634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.126634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.126634 (E_RNA)
where:
Base-Base interactions energy: -962.287
where: short stacking energy: -408.863
Base-Backbone interact. energy: -0.957
local terms energy: -444.883154
where:
bonds (distance) C4'-P energy: -84.938
bonds (distance) P-C4' energy: -104.908
flat angles C4'-P-C4' energy: -90.450
flat angles P-C4'-P energy: -53.998
tors. eta vs tors. theta energy: -110.588
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: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1316.440857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.440857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.440857 (E_RNA)
where:
Base-Base interactions energy: -914.175
where: short stacking energy: -381.451
Base-Backbone interact. energy: -1.848
local terms energy: -400.417883
where:
bonds (distance) C4'-P energy: -76.985
bonds (distance) P-C4' energy: -87.272
flat angles C4'-P-C4' energy: -91.470
flat angles P-C4'-P energy: -62.313
tors. eta vs tors. theta energy: -82.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -790.795765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.795765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.795765 (E_RNA)
where:
Base-Base interactions energy: -462.093
where: short stacking energy: -234.038
Base-Backbone interact. energy: -2.466
local terms energy: -326.236108
where:
bonds (distance) C4'-P energy: -88.293
bonds (distance) P-C4' energy: -87.190
flat angles C4'-P-C4' energy: -79.271
flat angles P-C4'-P energy: -51.830
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -496.186081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.186081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.186081 (E_RNA)
where:
Base-Base interactions energy: -191.625
where: short stacking energy: -143.992
Base-Backbone interact. energy: 0.824
local terms energy: -305.384777
where:
bonds (distance) C4'-P energy: -90.867
bonds (distance) P-C4' energy: -100.245
flat angles C4'-P-C4' energy: -69.780
flat angles P-C4'-P energy: -43.606
tors. eta vs tors. theta energy: -0.886
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: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1937.577059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.577059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.577059 (E_RNA)
where:
Base-Base interactions energy: -1330.569
where: short stacking energy: -567.008
Base-Backbone interact. energy: 0.136
local terms energy: -607.143863
where:
bonds (distance) C4'-P energy: -114.515
bonds (distance) P-C4' energy: -111.872
flat angles C4'-P-C4' energy: -122.901
flat angles P-C4'-P energy: -88.591
tors. eta vs tors. theta energy: -169.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1897.104920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.104920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.104920 (E_RNA)
where:
Base-Base interactions energy: -1308.990
where: short stacking energy: -565.714
Base-Backbone interact. energy: -1.645
local terms energy: -586.469811
where:
bonds (distance) C4'-P energy: -101.143
bonds (distance) P-C4' energy: -110.262
flat angles C4'-P-C4' energy: -120.190
flat angles P-C4'-P energy: -86.915
tors. eta vs tors. theta energy: -167.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1727.469014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.469014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.469014 (E_RNA)
where:
Base-Base interactions energy: -1195.885
where: short stacking energy: -525.885
Base-Backbone interact. energy: -2.016
local terms energy: -529.568656
where:
bonds (distance) C4'-P energy: -101.444
bonds (distance) P-C4' energy: -109.676
flat angles C4'-P-C4' energy: -111.663
flat angles P-C4'-P energy: -70.175
tors. eta vs tors. theta energy: -136.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1629.996120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.996120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.996120 (E_RNA)
where:
Base-Base interactions energy: -1097.569
where: short stacking energy: -482.381
Base-Backbone interact. energy: -2.047
local terms energy: -530.379922
where:
bonds (distance) C4'-P energy: -97.487
bonds (distance) P-C4' energy: -99.905
flat angles C4'-P-C4' energy: -108.900
flat angles P-C4'-P energy: -86.250
tors. eta vs tors. theta energy: -137.838
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: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1578.753609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.753609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.753609 (E_RNA)
where:
Base-Base interactions energy: -1062.031
where: short stacking energy: -471.887
Base-Backbone interact. energy: 2.617
local terms energy: -519.339663
where:
bonds (distance) C4'-P energy: -104.148
bonds (distance) P-C4' energy: -108.345
flat angles C4'-P-C4' energy: -94.709
flat angles P-C4'-P energy: -76.527
tors. eta vs tors. theta energy: -135.611
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: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1492.065434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.065434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.065434 (E_RNA)
where:
Base-Base interactions energy: -1009.468
where: short stacking energy: -450.144
Base-Backbone interact. energy: -0.258
local terms energy: -482.339411
where:
bonds (distance) C4'-P energy: -95.609
bonds (distance) P-C4' energy: -96.965
flat angles C4'-P-C4' energy: -95.968
flat angles P-C4'-P energy: -69.765
tors. eta vs tors. theta energy: -124.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1420.563566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.563566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.563566 (E_RNA)
where:
Base-Base interactions energy: -950.079
where: short stacking energy: -415.936
Base-Backbone interact. energy: -1.893
local terms energy: -468.591530
where:
bonds (distance) C4'-P energy: -67.336
bonds (distance) P-C4' energy: -106.343
flat angles C4'-P-C4' energy: -105.152
flat angles P-C4'-P energy: -73.902
tors. eta vs tors. theta energy: -115.858
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: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1237.425969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.425969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.425969 (E_RNA)
where:
Base-Base interactions energy: -805.570
where: short stacking energy: -339.739
Base-Backbone interact. energy: 0.196
local terms energy: -432.051933
where:
bonds (distance) C4'-P energy: -97.737
bonds (distance) P-C4' energy: -90.806
flat angles C4'-P-C4' energy: -83.535
flat angles P-C4'-P energy: -80.051
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: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -806.355340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.355340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.355340 (E_RNA)
where:
Base-Base interactions energy: -471.680
where: short stacking energy: -252.642
Base-Backbone interact. energy: 0.094
local terms energy: -334.769903
where:
bonds (distance) C4'-P energy: -85.027
bonds (distance) P-C4' energy: -92.628
flat angles C4'-P-C4' energy: -74.889
flat angles P-C4'-P energy: -53.549
tors. eta vs tors. theta energy: -28.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -473.249918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.249918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.249918 (E_RNA)
where:
Base-Base interactions energy: -205.268
where: short stacking energy: -147.310
Base-Backbone interact. energy: -0.368
local terms energy: -267.614111
where:
bonds (distance) C4'-P energy: -78.601
bonds (distance) P-C4' energy: -80.147
flat angles C4'-P-C4' energy: -73.395
flat angles P-C4'-P energy: -44.218
tors. eta vs tors. theta energy: 8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1922.526060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.526060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.526060 (E_RNA)
where:
Base-Base interactions energy: -1323.911
where: short stacking energy: -591.703
Base-Backbone interact. energy: -2.699
local terms energy: -595.915738
where:
bonds (distance) C4'-P energy: -97.811
bonds (distance) P-C4' energy: -102.973
flat angles C4'-P-C4' energy: -120.105
flat angles P-C4'-P energy: -94.554
tors. eta vs tors. theta energy: -180.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1904.319282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.319282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.319282 (E_RNA)
where:
Base-Base interactions energy: -1317.027
where: short stacking energy: -585.507
Base-Backbone interact. energy: -2.828
local terms energy: -584.463752
where:
bonds (distance) C4'-P energy: -108.061
bonds (distance) P-C4' energy: -91.526
flat angles C4'-P-C4' energy: -125.153
flat angles P-C4'-P energy: -86.732
tors. eta vs tors. theta energy: -172.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1733.779452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.779452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.779452 (E_RNA)
where:
Base-Base interactions energy: -1181.791
where: short stacking energy: -508.022
Base-Backbone interact. energy: -0.157
local terms energy: -551.831708
where:
bonds (distance) C4'-P energy: -99.278
bonds (distance) P-C4' energy: -95.300
flat angles C4'-P-C4' energy: -121.704
flat angles P-C4'-P energy: -86.355
tors. eta vs tors. theta energy: -149.195
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: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1620.955520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.955520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.955520 (E_RNA)
where:
Base-Base interactions energy: -1104.878
where: short stacking energy: -483.808
Base-Backbone interact. energy: -2.188
local terms energy: -513.889933
where:
bonds (distance) C4'-P energy: -94.455
bonds (distance) P-C4' energy: -104.947
flat angles C4'-P-C4' energy: -102.821
flat angles P-C4'-P energy: -82.709
tors. eta vs tors. theta energy: -128.958
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: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1571.617434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.617434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.617434 (E_RNA)
where:
Base-Base interactions energy: -1066.818
where: short stacking energy: -466.223
Base-Backbone interact. energy: -2.420
local terms energy: -502.380232
where:
bonds (distance) C4'-P energy: -109.356
bonds (distance) P-C4' energy: -99.462
flat angles C4'-P-C4' energy: -100.704
flat angles P-C4'-P energy: -64.068
tors. eta vs tors. theta energy: -128.791
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: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1470.119791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.119791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.119791 (E_RNA)
where:
Base-Base interactions energy: -995.203
where: short stacking energy: -451.357
Base-Backbone interact. energy: -0.907
local terms energy: -474.009120
where:
bonds (distance) C4'-P energy: -80.387
bonds (distance) P-C4' energy: -99.775
flat angles C4'-P-C4' energy: -94.541
flat angles P-C4'-P energy: -81.316
tors. eta vs tors. theta energy: -117.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1475.398411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.398411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.398411 (E_RNA)
where:
Base-Base interactions energy: -1008.159
where: short stacking energy: -420.938
Base-Backbone interact. energy: -0.769
local terms energy: -466.470105
where:
bonds (distance) C4'-P energy: -91.491
bonds (distance) P-C4' energy: -109.484
flat angles C4'-P-C4' energy: -95.176
flat angles P-C4'-P energy: -49.843
tors. eta vs tors. theta energy: -120.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1262.759455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.759455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.759455 (E_RNA)
where:
Base-Base interactions energy: -847.127
where: short stacking energy: -382.748
Base-Backbone interact. energy: 3.987
local terms energy: -419.619283
where:
bonds (distance) C4'-P energy: -83.735
bonds (distance) P-C4' energy: -87.818
flat angles C4'-P-C4' energy: -93.243
flat angles P-C4'-P energy: -69.188
tors. eta vs tors. theta energy: -85.635
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: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -788.684159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.684159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.684159 (E_RNA)
where:
Base-Base interactions energy: -458.056
where: short stacking energy: -221.494
Base-Backbone interact. energy: 0.995
local terms energy: -331.623047
where:
bonds (distance) C4'-P energy: -91.797
bonds (distance) P-C4' energy: -95.564
flat angles C4'-P-C4' energy: -77.846
flat angles P-C4'-P energy: -40.008
tors. eta vs tors. theta energy: -26.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -449.239065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.239065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.239065 (E_RNA)
where:
Base-Base interactions energy: -168.902
where: short stacking energy: -150.224
Base-Backbone interact. energy: 2.362
local terms energy: -282.699170
where:
bonds (distance) C4'-P energy: -76.429
bonds (distance) P-C4' energy: -77.890
flat angles C4'-P-C4' energy: -82.866
flat angles P-C4'-P energy: -59.052
tors. eta vs tors. theta energy: 13.538
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: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1957.507506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.507506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.507506 (E_RNA)
where:
Base-Base interactions energy: -1358.536
where: short stacking energy: -569.786
Base-Backbone interact. energy: -2.872
local terms energy: -596.099399
where:
bonds (distance) C4'-P energy: -111.892
bonds (distance) P-C4' energy: -107.800
flat angles C4'-P-C4' energy: -124.813
flat angles P-C4'-P energy: -82.669
tors. eta vs tors. theta energy: -168.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1862.856275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.856275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.856275 (E_RNA)
where:
Base-Base interactions energy: -1275.430
where: short stacking energy: -534.234
Base-Backbone interact. energy: -1.398
local terms energy: -586.028471
where:
bonds (distance) C4'-P energy: -100.743
bonds (distance) P-C4' energy: -107.245
flat angles C4'-P-C4' energy: -125.997
flat angles P-C4'-P energy: -86.313
tors. eta vs tors. theta energy: -165.731
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: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1735.175891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.175891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.175891 (E_RNA)
where:
Base-Base interactions energy: -1207.061
where: short stacking energy: -514.903
Base-Backbone interact. energy: -1.502
local terms energy: -526.612458
where:
bonds (distance) C4'-P energy: -86.135
bonds (distance) P-C4' energy: -107.207
flat angles C4'-P-C4' energy: -116.355
flat angles P-C4'-P energy: -78.936
tors. eta vs tors. theta energy: -137.980
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: 4, replica: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1627.480542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.480542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.480542 (E_RNA)
where:
Base-Base interactions energy: -1100.346
where: short stacking energy: -482.377
Base-Backbone interact. energy: -1.815
local terms energy: -525.319177
where:
bonds (distance) C4'-P energy: -91.296
bonds (distance) P-C4' energy: -95.530
flat angles C4'-P-C4' energy: -119.095
flat angles P-C4'-P energy: -82.733
tors. eta vs tors. theta energy: -136.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1593.859377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.859377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.859377 (E_RNA)
where:
Base-Base interactions energy: -1089.625
where: short stacking energy: -469.912
Base-Backbone interact. energy: 0.910
local terms energy: -505.144714
where:
bonds (distance) C4'-P energy: -91.397
bonds (distance) P-C4' energy: -108.830
flat angles C4'-P-C4' energy: -112.331
flat angles P-C4'-P energy: -83.086
tors. eta vs tors. theta energy: -109.500
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: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1468.637156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.637156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.637156 (E_RNA)
where:
Base-Base interactions energy: -992.533
where: short stacking energy: -429.076
Base-Backbone interact. energy: -2.003
local terms energy: -474.101632
where:
bonds (distance) C4'-P energy: -94.598
bonds (distance) P-C4' energy: -100.848
flat angles C4'-P-C4' energy: -109.594
flat angles P-C4'-P energy: -67.434
tors. eta vs tors. theta energy: -101.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1429.378449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.378449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.378449 (E_RNA)
where:
Base-Base interactions energy: -976.706
where: short stacking energy: -410.584
Base-Backbone interact. energy: -0.252
local terms energy: -452.420514
where:
bonds (distance) C4'-P energy: -93.858
bonds (distance) P-C4' energy: -105.329
flat angles C4'-P-C4' energy: -96.766
flat angles P-C4'-P energy: -52.258
tors. eta vs tors. theta energy: -104.210
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: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1283.351008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.351008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.351008 (E_RNA)
where:
Base-Base interactions energy: -847.202
where: short stacking energy: -350.431
Base-Backbone interact. energy: -2.734
local terms energy: -433.415507
where:
bonds (distance) C4'-P energy: -90.235
bonds (distance) P-C4' energy: -107.976
flat angles C4'-P-C4' energy: -103.943
flat angles P-C4'-P energy: -54.321
tors. eta vs tors. theta energy: -76.941
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: 382
Temperature: 1.300000
Total energy: -792.552320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.552320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.552320 (E_RNA)
where:
Base-Base interactions energy: -453.386
where: short stacking energy: -220.868
Base-Backbone interact. energy: 5.507
local terms energy: -344.672680
where:
bonds (distance) C4'-P energy: -91.949
bonds (distance) P-C4' energy: -92.324
flat angles C4'-P-C4' energy: -83.855
flat angles P-C4'-P energy: -56.998
tors. eta vs tors. theta energy: -19.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -417.521769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.521769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.521769 (E_RNA)
where:
Base-Base interactions energy: -162.586
where: short stacking energy: -131.792
Base-Backbone interact. energy: 0.571
local terms energy: -255.506688
where:
bonds (distance) C4'-P energy: -85.204
bonds (distance) P-C4' energy: -82.846
flat angles C4'-P-C4' energy: -69.118
flat angles P-C4'-P energy: -35.139
tors. eta vs tors. theta energy: 16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1942.852970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.852970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.852970 (E_RNA)
where:
Base-Base interactions energy: -1348.178
where: short stacking energy: -568.211
Base-Backbone interact. energy: -2.212
local terms energy: -592.462670
where:
bonds (distance) C4'-P energy: -100.437
bonds (distance) P-C4' energy: -112.921
flat angles C4'-P-C4' energy: -129.408
flat angles P-C4'-P energy: -80.844
tors. eta vs tors. theta energy: -168.853
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: 383
Temperature: 0.950000
Total energy: -1861.401260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.401260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.401260 (E_RNA)
where:
Base-Base interactions energy: -1270.060
where: short stacking energy: -527.918
Base-Backbone interact. energy: -4.609
local terms energy: -586.731809
where:
bonds (distance) C4'-P energy: -108.902
bonds (distance) P-C4' energy: -109.144
flat angles C4'-P-C4' energy: -120.979
flat angles P-C4'-P energy: -70.704
tors. eta vs tors. theta energy: -177.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1713.704282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.704282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.704282 (E_RNA)
where:
Base-Base interactions energy: -1179.470
where: short stacking energy: -509.047
Base-Backbone interact. energy: -0.488
local terms energy: -533.745960
where:
bonds (distance) C4'-P energy: -95.334
bonds (distance) P-C4' energy: -100.881
flat angles C4'-P-C4' energy: -112.549
flat angles P-C4'-P energy: -87.244
tors. eta vs tors. theta energy: -137.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1644.357872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.357872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.357872 (E_RNA)
where:
Base-Base interactions energy: -1092.615
where: short stacking energy: -473.597
Base-Backbone interact. energy: -1.387
local terms energy: -550.356186
where:
bonds (distance) C4'-P energy: -101.978
bonds (distance) P-C4' energy: -101.154
flat angles C4'-P-C4' energy: -119.082
flat angles P-C4'-P energy: -86.199
tors. eta vs tors. theta energy: -141.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1601.438454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.438454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.438454 (E_RNA)
where:
Base-Base interactions energy: -1087.698
where: short stacking energy: -457.075
Base-Backbone interact. energy: 0.899
local terms energy: -514.638985
where:
bonds (distance) C4'-P energy: -96.902
bonds (distance) P-C4' energy: -98.350
flat angles C4'-P-C4' energy: -113.707
flat angles P-C4'-P energy: -75.023
tors. eta vs tors. theta energy: -130.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1457.255488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.255488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.255488 (E_RNA)
where:
Base-Base interactions energy: -1012.402
where: short stacking energy: -445.665
Base-Backbone interact. energy: -1.022
local terms energy: -443.831957
where:
bonds (distance) C4'-P energy: -63.564
bonds (distance) P-C4' energy: -93.224
flat angles C4'-P-C4' energy: -93.763
flat angles P-C4'-P energy: -73.315
tors. eta vs tors. theta energy: -119.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1422.855714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.855714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.855714 (E_RNA)
where:
Base-Base interactions energy: -962.095
where: short stacking energy: -410.080
Base-Backbone interact. energy: 0.936
local terms energy: -461.697360
where:
bonds (distance) C4'-P energy: -91.034
bonds (distance) P-C4' energy: -97.694
flat angles C4'-P-C4' energy: -99.823
flat angles P-C4'-P energy: -63.793
tors. eta vs tors. theta energy: -109.354
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: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1260.462923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.462923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.462923 (E_RNA)
where:
Base-Base interactions energy: -839.219
where: short stacking energy: -350.286
Base-Backbone interact. energy: -1.281
local terms energy: -419.963049
where:
bonds (distance) C4'-P energy: -85.980
bonds (distance) P-C4' energy: -115.135
flat angles C4'-P-C4' energy: -94.150
flat angles P-C4'-P energy: -42.840
tors. eta vs tors. theta energy: -81.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -788.056680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.056680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.056680 (E_RNA)
where:
Base-Base interactions energy: -438.375
where: short stacking energy: -215.923
Base-Backbone interact. energy: 0.273
local terms energy: -349.955241
where:
bonds (distance) C4'-P energy: -97.798
bonds (distance) P-C4' energy: -87.352
flat angles C4'-P-C4' energy: -93.451
flat angles P-C4'-P energy: -43.222
tors. eta vs tors. theta energy: -28.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -465.544096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.544096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.544096 (E_RNA)
where:
Base-Base interactions energy: -184.591
where: short stacking energy: -138.603
Base-Backbone interact. energy: -2.224
local terms energy: -278.729648
where:
bonds (distance) C4'-P energy: -87.002
bonds (distance) P-C4' energy: -92.829
flat angles C4'-P-C4' energy: -68.010
flat angles P-C4'-P energy: -50.311
tors. eta vs tors. theta energy: 19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1917.808904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.808904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.808904 (E_RNA)
where:
Base-Base interactions energy: -1329.536
where: short stacking energy: -556.371
Base-Backbone interact. energy: -3.216
local terms energy: -585.057588
where:
bonds (distance) C4'-P energy: -107.471
bonds (distance) P-C4' energy: -98.882
flat angles C4'-P-C4' energy: -121.223
flat angles P-C4'-P energy: -87.636
tors. eta vs tors. theta energy: -169.846
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: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1880.579409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.579409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.579409 (E_RNA)
where:
Base-Base interactions energy: -1286.834
where: short stacking energy: -565.908
Base-Backbone interact. energy: 1.624
local terms energy: -595.369449
where:
bonds (distance) C4'-P energy: -106.291
bonds (distance) P-C4' energy: -107.512
flat angles C4'-P-C4' energy: -125.393
flat angles P-C4'-P energy: -84.680
tors. eta vs tors. theta energy: -171.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1725.261026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.261026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.261026 (E_RNA)
where:
Base-Base interactions energy: -1154.435
where: short stacking energy: -501.988
Base-Backbone interact. energy: -0.570
local terms energy: -570.256337
where:
bonds (distance) C4'-P energy: -115.688
bonds (distance) P-C4' energy: -104.079
flat angles C4'-P-C4' energy: -125.371
flat angles P-C4'-P energy: -82.990
tors. eta vs tors. theta energy: -142.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1683.439334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.439334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.439334 (E_RNA)
where:
Base-Base interactions energy: -1156.843
where: short stacking energy: -508.835
Base-Backbone interact. energy: -0.770
local terms energy: -525.825797
where:
bonds (distance) C4'-P energy: -89.593
bonds (distance) P-C4' energy: -102.190
flat angles C4'-P-C4' energy: -108.384
flat angles P-C4'-P energy: -74.399
tors. eta vs tors. theta energy: -151.261
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: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1556.325313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.325313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.325313 (E_RNA)
where:
Base-Base interactions energy: -1063.065
where: short stacking energy: -451.774
Base-Backbone interact. energy: 2.188
local terms energy: -495.447971
where:
bonds (distance) C4'-P energy: -87.766
bonds (distance) P-C4' energy: -95.399
flat angles C4'-P-C4' energy: -105.550
flat angles P-C4'-P energy: -81.795
tors. eta vs tors. theta energy: -124.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1459.448550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.448550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.448550 (E_RNA)
where:
Base-Base interactions energy: -971.753
where: short stacking energy: -423.719
Base-Backbone interact. energy: 0.841
local terms energy: -488.536064
where:
bonds (distance) C4'-P energy: -98.740
bonds (distance) P-C4' energy: -93.923
flat angles C4'-P-C4' energy: -107.810
flat angles P-C4'-P energy: -76.901
tors. eta vs tors. theta energy: -111.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1420.301196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.301196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.301196 (E_RNA)
where:
Base-Base interactions energy: -964.597
where: short stacking energy: -419.538
Base-Backbone interact. energy: -3.425
local terms energy: -452.279066
where:
bonds (distance) C4'-P energy: -86.978
bonds (distance) P-C4' energy: -94.660
flat angles C4'-P-C4' energy: -100.082
flat angles P-C4'-P energy: -65.759
tors. eta vs tors. theta energy: -104.800
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: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1240.309997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.309997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.309997 (E_RNA)
where:
Base-Base interactions energy: -852.320
where: short stacking energy: -352.252
Base-Backbone interact. energy: 1.871
local terms energy: -389.860369
where:
bonds (distance) C4'-P energy: -81.685
bonds (distance) P-C4' energy: -69.912
flat angles C4'-P-C4' energy: -94.268
flat angles P-C4'-P energy: -61.491
tors. eta vs tors. theta energy: -82.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -740.976797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.976797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.976797 (E_RNA)
where:
Base-Base interactions energy: -406.353
where: short stacking energy: -173.350
Base-Backbone interact. energy: 0.237
local terms energy: -334.860282
where:
bonds (distance) C4'-P energy: -84.944
bonds (distance) P-C4' energy: -97.989
flat angles C4'-P-C4' energy: -86.842
flat angles P-C4'-P energy: -44.933
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -469.727464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.727464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.727464 (E_RNA)
where:
Base-Base interactions energy: -180.054
where: short stacking energy: -124.427
Base-Backbone interact. energy: 5.148
local terms energy: -294.821711
where:
bonds (distance) C4'-P energy: -92.439
bonds (distance) P-C4' energy: -82.062
flat angles C4'-P-C4' energy: -75.248
flat angles P-C4'-P energy: -55.450
tors. eta vs tors. theta energy: 10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1947.404073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.404073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.404073 (E_RNA)
where:
Base-Base interactions energy: -1346.495
where: short stacking energy: -578.571
Base-Backbone interact. energy: -2.362
local terms energy: -598.547208
where:
bonds (distance) C4'-P energy: -117.542
bonds (distance) P-C4' energy: -113.506
flat angles C4'-P-C4' energy: -115.746
flat angles P-C4'-P energy: -83.483
tors. eta vs tors. theta energy: -168.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1846.147421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.147421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.147421 (E_RNA)
where:
Base-Base interactions energy: -1275.331
where: short stacking energy: -541.349
Base-Backbone interact. energy: -2.166
local terms energy: -568.650623
where:
bonds (distance) C4'-P energy: -103.110
bonds (distance) P-C4' energy: -107.216
flat angles C4'-P-C4' energy: -111.841
flat angles P-C4'-P energy: -80.180
tors. eta vs tors. theta energy: -166.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1696.141230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.141230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.141230 (E_RNA)
where:
Base-Base interactions energy: -1148.024
where: short stacking energy: -525.575
Base-Backbone interact. energy: -0.697
local terms energy: -547.420319
where:
bonds (distance) C4'-P energy: -96.367
bonds (distance) P-C4' energy: -107.038
flat angles C4'-P-C4' energy: -114.088
flat angles P-C4'-P energy: -74.644
tors. eta vs tors. theta energy: -155.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1671.270568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.270568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.270568 (E_RNA)
where:
Base-Base interactions energy: -1124.489
where: short stacking energy: -461.606
Base-Backbone interact. energy: -2.660
local terms energy: -544.122135
where:
bonds (distance) C4'-P energy: -101.783
bonds (distance) P-C4' energy: -108.972
flat angles C4'-P-C4' energy: -117.647
flat angles P-C4'-P energy: -81.147
tors. eta vs tors. theta energy: -134.573
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: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1577.952101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.952101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.952101 (E_RNA)
where:
Base-Base interactions energy: -1091.600
where: short stacking energy: -458.999
Base-Backbone interact. energy: 4.080
local terms energy: -490.432422
where:
bonds (distance) C4'-P energy: -94.971
bonds (distance) P-C4' energy: -94.259
flat angles C4'-P-C4' energy: -107.452
flat angles P-C4'-P energy: -74.528
tors. eta vs tors. theta energy: -119.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1482.701766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.701766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.701766 (E_RNA)
where:
Base-Base interactions energy: -1000.542
where: short stacking energy: -437.393
Base-Backbone interact. energy: -2.527
local terms energy: -479.632673
where:
bonds (distance) C4'-P energy: -80.248
bonds (distance) P-C4' energy: -115.954
flat angles C4'-P-C4' energy: -110.725
flat angles P-C4'-P energy: -59.554
tors. eta vs tors. theta energy: -113.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1447.580609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.580609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.580609 (E_RNA)
where:
Base-Base interactions energy: -982.484
where: short stacking energy: -428.223
Base-Backbone interact. energy: 5.602
local terms energy: -470.699124
where:
bonds (distance) C4'-P energy: -99.965
bonds (distance) P-C4' energy: -101.333
flat angles C4'-P-C4' energy: -104.888
flat angles P-C4'-P energy: -58.014
tors. eta vs tors. theta energy: -106.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1205.770940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.770940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.770940 (E_RNA)
where:
Base-Base interactions energy: -766.172
where: short stacking energy: -337.620
Base-Backbone interact. energy: 0.858
local terms energy: -440.457247
where:
bonds (distance) C4'-P energy: -97.228
bonds (distance) P-C4' energy: -100.502
flat angles C4'-P-C4' energy: -111.691
flat angles P-C4'-P energy: -64.361
tors. eta vs tors. theta energy: -66.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -784.433794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.433794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.433794 (E_RNA)
where:
Base-Base interactions energy: -468.423
where: short stacking energy: -235.189
Base-Backbone interact. energy: 7.112
local terms energy: -323.122685
where:
bonds (distance) C4'-P energy: -91.355
bonds (distance) P-C4' energy: -85.555
flat angles C4'-P-C4' energy: -75.770
flat angles P-C4'-P energy: -42.934
tors. eta vs tors. theta energy: -27.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -495.906806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.906806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.906806 (E_RNA)
where:
Base-Base interactions energy: -224.877
where: short stacking energy: -162.637
Base-Backbone interact. energy: 5.482
local terms energy: -276.511873
where:
bonds (distance) C4'-P energy: -60.568
bonds (distance) P-C4' energy: -84.854
flat angles C4'-P-C4' energy: -88.185
flat angles P-C4'-P energy: -44.610
tors. eta vs tors. theta energy: 1.705
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: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1956.387203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.387203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.387203 (E_RNA)
where:
Base-Base interactions energy: -1339.348
where: short stacking energy: -563.584
Base-Backbone interact. energy: -1.654
local terms energy: -615.385130
where:
bonds (distance) C4'-P energy: -110.607
bonds (distance) P-C4' energy: -124.960
flat angles C4'-P-C4' energy: -122.190
flat angles P-C4'-P energy: -88.775
tors. eta vs tors. theta energy: -168.853
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: 386
Temperature: 0.950000
Total energy: -1828.808425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.808425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.808425 (E_RNA)
where:
Base-Base interactions energy: -1249.813
where: short stacking energy: -518.059
Base-Backbone interact. energy: -2.800
local terms energy: -576.194866
where:
bonds (distance) C4'-P energy: -114.043
bonds (distance) P-C4' energy: -100.408
flat angles C4'-P-C4' energy: -114.157
flat angles P-C4'-P energy: -91.287
tors. eta vs tors. theta energy: -156.300
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: 10
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1744.741927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.741927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.741927 (E_RNA)
where:
Base-Base interactions energy: -1161.995
where: short stacking energy: -531.012
Base-Backbone interact. energy: 1.073
local terms energy: -583.819727
where:
bonds (distance) C4'-P energy: -108.495
bonds (distance) P-C4' energy: -113.565
flat angles C4'-P-C4' energy: -122.996
flat angles P-C4'-P energy: -77.296
tors. eta vs tors. theta energy: -161.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1669.079340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.079340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.079340 (E_RNA)
where:
Base-Base interactions energy: -1121.416
where: short stacking energy: -487.007
Base-Backbone interact. energy: -2.750
local terms energy: -544.912498
where:
bonds (distance) C4'-P energy: -91.976
bonds (distance) P-C4' energy: -113.091
flat angles C4'-P-C4' energy: -121.095
flat angles P-C4'-P energy: -75.330
tors. eta vs tors. theta energy: -143.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1561.652832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.652832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.652832 (E_RNA)
where:
Base-Base interactions energy: -1069.887
where: short stacking energy: -479.878
Base-Backbone interact. energy: 2.965
local terms energy: -494.731102
where:
bonds (distance) C4'-P energy: -87.678
bonds (distance) P-C4' energy: -93.529
flat angles C4'-P-C4' energy: -104.078
flat angles P-C4'-P energy: -67.439
tors. eta vs tors. theta energy: -142.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1460.516368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.516368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.516368 (E_RNA)
where:
Base-Base interactions energy: -979.869
where: short stacking energy: -416.880
Base-Backbone interact. energy: -2.315
local terms energy: -478.331778
where:
bonds (distance) C4'-P energy: -94.478
bonds (distance) P-C4' energy: -100.428
flat angles C4'-P-C4' energy: -104.278
flat angles P-C4'-P energy: -76.099
tors. eta vs tors. theta energy: -103.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1452.189269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.189269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.189269 (E_RNA)
where:
Base-Base interactions energy: -1005.008
where: short stacking energy: -421.514
Base-Backbone interact. energy: -0.322
local terms energy: -446.859144
where:
bonds (distance) C4'-P energy: -71.035
bonds (distance) P-C4' energy: -94.662
flat angles C4'-P-C4' energy: -103.366
flat angles P-C4'-P energy: -65.726
tors. eta vs tors. theta energy: -112.070
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: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1161.929312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.929312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.929312 (E_RNA)
where:
Base-Base interactions energy: -753.725
where: short stacking energy: -335.877
Base-Backbone interact. energy: -1.628
local terms energy: -406.576089
where:
bonds (distance) C4'-P energy: -84.621
bonds (distance) P-C4' energy: -97.782
flat angles C4'-P-C4' energy: -85.241
flat angles P-C4'-P energy: -64.807
tors. eta vs tors. theta energy: -74.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -740.198906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.198906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.198906 (E_RNA)
where:
Base-Base interactions energy: -422.160
where: short stacking energy: -190.159
Base-Backbone interact. energy: -1.997
local terms energy: -316.042138
where:
bonds (distance) C4'-P energy: -92.927
bonds (distance) P-C4' energy: -95.008
flat angles C4'-P-C4' energy: -78.241
flat angles P-C4'-P energy: -39.537
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -457.293184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.293184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.293184 (E_RNA)
where:
Base-Base interactions energy: -178.363
where: short stacking energy: -131.030
Base-Backbone interact. energy: -1.705
local terms energy: -277.225976
where:
bonds (distance) C4'-P energy: -81.970
bonds (distance) P-C4' energy: -93.578
flat angles C4'-P-C4' energy: -77.078
flat angles P-C4'-P energy: -47.417
tors. eta vs tors. theta energy: 22.818
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: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1968.010987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.010987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.010987 (E_RNA)
where:
Base-Base interactions energy: -1362.379
where: short stacking energy: -597.556
Base-Backbone interact. energy: -0.722
local terms energy: -604.910201
where:
bonds (distance) C4'-P energy: -108.825
bonds (distance) P-C4' energy: -106.398
flat angles C4'-P-C4' energy: -126.069
flat angles P-C4'-P energy: -80.962
tors. eta vs tors. theta energy: -182.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1840.556060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.556060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.556060 (E_RNA)
where:
Base-Base interactions energy: -1261.376
where: short stacking energy: -523.419
Base-Backbone interact. energy: -3.664
local terms energy: -575.516403
where:
bonds (distance) C4'-P energy: -106.785
bonds (distance) P-C4' energy: -102.265
flat angles C4'-P-C4' energy: -116.580
flat angles P-C4'-P energy: -85.863
tors. eta vs tors. theta energy: -164.024
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: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1636.598432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.598432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.598432 (E_RNA)
where:
Base-Base interactions energy: -1117.784
where: short stacking energy: -472.548
Base-Backbone interact. energy: 0.712
local terms energy: -519.526629
where:
bonds (distance) C4'-P energy: -95.601
bonds (distance) P-C4' energy: -89.203
flat angles C4'-P-C4' energy: -124.853
flat angles P-C4'-P energy: -81.625
tors. eta vs tors. theta energy: -128.245
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: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1699.111706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.111706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.111706 (E_RNA)
where:
Base-Base interactions energy: -1162.731
where: short stacking energy: -498.283
Base-Backbone interact. energy: -3.748
local terms energy: -532.633150
where:
bonds (distance) C4'-P energy: -93.046
bonds (distance) P-C4' energy: -90.104
flat angles C4'-P-C4' energy: -118.282
flat angles P-C4'-P energy: -74.536
tors. eta vs tors. theta energy: -156.666
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: 387
Temperature: 1.100000
Total energy: -1599.634644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.634644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.634644 (E_RNA)
where:
Base-Base interactions energy: -1075.870
where: short stacking energy: -477.135
Base-Backbone interact. energy: 2.098
local terms energy: -525.862407
where:
bonds (distance) C4'-P energy: -100.011
bonds (distance) P-C4' energy: -97.109
flat angles C4'-P-C4' energy: -111.959
flat angles P-C4'-P energy: -71.024
tors. eta vs tors. theta energy: -145.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1582.546066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.546066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.546066 (E_RNA)
where:
Base-Base interactions energy: -1067.434
where: short stacking energy: -467.836
Base-Backbone interact. energy: -3.953
local terms energy: -511.159086
where:
bonds (distance) C4'-P energy: -86.039
bonds (distance) P-C4' energy: -104.535
flat angles C4'-P-C4' energy: -117.091
flat angles P-C4'-P energy: -69.710
tors. eta vs tors. theta energy: -133.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1420.210949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.210949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.210949 (E_RNA)
where:
Base-Base interactions energy: -962.570
where: short stacking energy: -403.099
Base-Backbone interact. energy: -1.384
local terms energy: -456.256514
where:
bonds (distance) C4'-P energy: -92.349
bonds (distance) P-C4' energy: -88.508
flat angles C4'-P-C4' energy: -111.379
flat angles P-C4'-P energy: -59.386
tors. eta vs tors. theta energy: -104.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1127.442847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.442847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.442847 (E_RNA)
where:
Base-Base interactions energy: -717.740
where: short stacking energy: -306.424
Base-Backbone interact. energy: -1.396
local terms energy: -408.306786
where:
bonds (distance) C4'-P energy: -91.134
bonds (distance) P-C4' energy: -90.317
flat angles C4'-P-C4' energy: -88.876
flat angles P-C4'-P energy: -65.165
tors. eta vs tors. theta energy: -72.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -786.348890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.348890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.348890 (E_RNA)
where:
Base-Base interactions energy: -434.890
where: short stacking energy: -213.557
Base-Backbone interact. energy: -0.773
local terms energy: -350.685970
where:
bonds (distance) C4'-P energy: -82.066
bonds (distance) P-C4' energy: -86.945
flat angles C4'-P-C4' energy: -109.879
flat angles P-C4'-P energy: -49.741
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -433.428270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.428270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.428270 (E_RNA)
where:
Base-Base interactions energy: -170.363
where: short stacking energy: -137.605
Base-Backbone interact. energy: -1.795
local terms energy: -261.270521
where:
bonds (distance) C4'-P energy: -88.800
bonds (distance) P-C4' energy: -87.526
flat angles C4'-P-C4' energy: -77.377
flat angles P-C4'-P energy: -42.453
tors. eta vs tors. theta energy: 34.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1932.319224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.319224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.319224 (E_RNA)
where:
Base-Base interactions energy: -1358.257
where: short stacking energy: -587.812
Base-Backbone interact. energy: -2.729
local terms energy: -571.333479
where:
bonds (distance) C4'-P energy: -112.023
bonds (distance) P-C4' energy: -105.507
flat angles C4'-P-C4' energy: -124.563
flat angles P-C4'-P energy: -70.661
tors. eta vs tors. theta energy: -158.580
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: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1867.289668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.289668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.289668 (E_RNA)
where:
Base-Base interactions energy: -1274.160
where: short stacking energy: -559.402
Base-Backbone interact. energy: -2.730
local terms energy: -590.399756
where:
bonds (distance) C4'-P energy: -105.883
bonds (distance) P-C4' energy: -123.125
flat angles C4'-P-C4' energy: -109.450
flat angles P-C4'-P energy: -85.031
tors. eta vs tors. theta energy: -166.912
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: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1701.656967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.656967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.656967 (E_RNA)
where:
Base-Base interactions energy: -1176.959
where: short stacking energy: -504.684
Base-Backbone interact. energy: -1.757
local terms energy: -522.940658
where:
bonds (distance) C4'-P energy: -101.857
bonds (distance) P-C4' energy: -105.185
flat angles C4'-P-C4' energy: -114.894
flat angles P-C4'-P energy: -68.136
tors. eta vs tors. theta energy: -132.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1628.675829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.675829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.675829 (E_RNA)
where:
Base-Base interactions energy: -1095.652
where: short stacking energy: -460.886
Base-Backbone interact. energy: 0.020
local terms energy: -533.044408
where:
bonds (distance) C4'-P energy: -99.455
bonds (distance) P-C4' energy: -112.313
flat angles C4'-P-C4' energy: -106.491
flat angles P-C4'-P energy: -87.003
tors. eta vs tors. theta energy: -127.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1603.042815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.042815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.042815 (E_RNA)
where:
Base-Base interactions energy: -1078.144
where: short stacking energy: -492.086
Base-Backbone interact. energy: -2.515
local terms energy: -522.383522
where:
bonds (distance) C4'-P energy: -105.616
bonds (distance) P-C4' energy: -90.693
flat angles C4'-P-C4' energy: -109.521
flat angles P-C4'-P energy: -81.946
tors. eta vs tors. theta energy: -134.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1532.347440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.347440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.347440 (E_RNA)
where:
Base-Base interactions energy: -1060.483
where: short stacking energy: -437.794
Base-Backbone interact. energy: 0.336
local terms energy: -472.200744
where:
bonds (distance) C4'-P energy: -82.020
bonds (distance) P-C4' energy: -97.611
flat angles C4'-P-C4' energy: -108.928
flat angles P-C4'-P energy: -56.332
tors. eta vs tors. theta energy: -127.310
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: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1420.824257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.824257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.824257 (E_RNA)
where:
Base-Base interactions energy: -938.133
where: short stacking energy: -416.452
Base-Backbone interact. energy: -1.690
local terms energy: -481.000955
where:
bonds (distance) C4'-P energy: -89.378
bonds (distance) P-C4' energy: -101.109
flat angles C4'-P-C4' energy: -117.853
flat angles P-C4'-P energy: -71.375
tors. eta vs tors. theta energy: -101.286
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: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1146.645889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.645889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.645889 (E_RNA)
where:
Base-Base interactions energy: -735.620
where: short stacking energy: -327.484
Base-Backbone interact. energy: 0.170
local terms energy: -411.195837
where:
bonds (distance) C4'-P energy: -68.340
bonds (distance) P-C4' energy: -94.299
flat angles C4'-P-C4' energy: -97.981
flat angles P-C4'-P energy: -73.489
tors. eta vs tors. theta energy: -77.086
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: 388
Temperature: 1.300000
Total energy: -822.704383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.704383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.704383 (E_RNA)
where:
Base-Base interactions energy: -462.957
where: short stacking energy: -220.955
Base-Backbone interact. energy: -1.491
local terms energy: -358.257254
where:
bonds (distance) C4'-P energy: -83.430
bonds (distance) P-C4' energy: -100.194
flat angles C4'-P-C4' energy: -78.328
flat angles P-C4'-P energy: -70.451
tors. eta vs tors. theta energy: -25.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -445.598370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.598370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.598370 (E_RNA)
where:
Base-Base interactions energy: -156.324
where: short stacking energy: -136.849
Base-Backbone interact. energy: -1.396
local terms energy: -287.878108
where:
bonds (distance) C4'-P energy: -84.959
bonds (distance) P-C4' energy: -98.492
flat angles C4'-P-C4' energy: -73.958
flat angles P-C4'-P energy: -31.785
tors. eta vs tors. theta energy: 1.317
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: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1919.212988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.212988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.212988 (E_RNA)
where:
Base-Base interactions energy: -1334.629
where: short stacking energy: -574.869
Base-Backbone interact. energy: -1.190
local terms energy: -583.394092
where:
bonds (distance) C4'-P energy: -104.834
bonds (distance) P-C4' energy: -106.888
flat angles C4'-P-C4' energy: -122.574
flat angles P-C4'-P energy: -76.283
tors. eta vs tors. theta energy: -172.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1850.131396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.131396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.131396 (E_RNA)
where:
Base-Base interactions energy: -1294.544
where: short stacking energy: -533.655
Base-Backbone interact. energy: -2.539
local terms energy: -553.048044
where:
bonds (distance) C4'-P energy: -104.544
bonds (distance) P-C4' energy: -107.766
flat angles C4'-P-C4' energy: -113.018
flat angles P-C4'-P energy: -62.354
tors. eta vs tors. theta energy: -165.365
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: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1708.642458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.642458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.642458 (E_RNA)
where:
Base-Base interactions energy: -1178.984
where: short stacking energy: -502.199
Base-Backbone interact. energy: 2.075
local terms energy: -531.733628
where:
bonds (distance) C4'-P energy: -99.305
bonds (distance) P-C4' energy: -103.740
flat angles C4'-P-C4' energy: -108.819
flat angles P-C4'-P energy: -71.651
tors. eta vs tors. theta energy: -148.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1641.385927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.385927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.385927 (E_RNA)
where:
Base-Base interactions energy: -1122.026
where: short stacking energy: -469.142
Base-Backbone interact. energy: -1.393
local terms energy: -517.966722
where:
bonds (distance) C4'-P energy: -84.216
bonds (distance) P-C4' energy: -116.455
flat angles C4'-P-C4' energy: -115.246
flat angles P-C4'-P energy: -72.448
tors. eta vs tors. theta energy: -129.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1572.536701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.536701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.536701 (E_RNA)
where:
Base-Base interactions energy: -1076.137
where: short stacking energy: -454.170
Base-Backbone interact. energy: -0.770
local terms energy: -495.629830
where:
bonds (distance) C4'-P energy: -87.179
bonds (distance) P-C4' energy: -111.657
flat angles C4'-P-C4' energy: -114.791
flat angles P-C4'-P energy: -64.623
tors. eta vs tors. theta energy: -117.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1493.693998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.693998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.693998 (E_RNA)
where:
Base-Base interactions energy: -1019.800
where: short stacking energy: -415.250
Base-Backbone interact. energy: 0.674
local terms energy: -474.567375
where:
bonds (distance) C4'-P energy: -78.724
bonds (distance) P-C4' energy: -107.460
flat angles C4'-P-C4' energy: -105.659
flat angles P-C4'-P energy: -58.274
tors. eta vs tors. theta energy: -124.450
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: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1395.051077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.051077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.051077 (E_RNA)
where:
Base-Base interactions energy: -949.238
where: short stacking energy: -386.077
Base-Backbone interact. energy: -0.073
local terms energy: -445.740118
where:
bonds (distance) C4'-P energy: -94.070
bonds (distance) P-C4' energy: -101.248
flat angles C4'-P-C4' energy: -96.589
flat angles P-C4'-P energy: -58.938
tors. eta vs tors. theta energy: -94.895
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: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1163.213619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.213619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.213619 (E_RNA)
where:
Base-Base interactions energy: -756.041
where: short stacking energy: -339.452
Base-Backbone interact. energy: -1.107
local terms energy: -406.065192
where:
bonds (distance) C4'-P energy: -93.317
bonds (distance) P-C4' energy: -92.535
flat angles C4'-P-C4' energy: -93.365
flat angles P-C4'-P energy: -56.830
tors. eta vs tors. theta energy: -70.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -835.780261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.780261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.780261 (E_RNA)
where:
Base-Base interactions energy: -484.672
where: short stacking energy: -246.612
Base-Backbone interact. energy: -1.785
local terms energy: -349.323484
where:
bonds (distance) C4'-P energy: -75.971
bonds (distance) P-C4' energy: -92.592
flat angles C4'-P-C4' energy: -88.888
flat angles P-C4'-P energy: -60.045
tors. eta vs tors. theta energy: -31.827
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: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -448.148455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.148455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.148455 (E_RNA)
where:
Base-Base interactions energy: -172.875
where: short stacking energy: -135.712
Base-Backbone interact. energy: 2.191
local terms energy: -277.465071
where:
bonds (distance) C4'-P energy: -89.886
bonds (distance) P-C4' energy: -79.137
flat angles C4'-P-C4' energy: -74.006
flat angles P-C4'-P energy: -45.504
tors. eta vs tors. theta energy: 11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1916.520117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.520117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.520117 (E_RNA)
where:
Base-Base interactions energy: -1319.744
where: short stacking energy: -587.609
Base-Backbone interact. energy: -0.533
local terms energy: -596.243348
where:
bonds (distance) C4'-P energy: -110.790
bonds (distance) P-C4' energy: -106.495
flat angles C4'-P-C4' energy: -127.671
flat angles P-C4'-P energy: -75.904
tors. eta vs tors. theta energy: -175.383
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: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1847.323441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.323441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.323441 (E_RNA)
where:
Base-Base interactions energy: -1259.178
where: short stacking energy: -540.665
Base-Backbone interact. energy: -1.066
local terms energy: -587.079472
where:
bonds (distance) C4'-P energy: -110.802
bonds (distance) P-C4' energy: -100.787
flat angles C4'-P-C4' energy: -117.353
flat angles P-C4'-P energy: -92.643
tors. eta vs tors. theta energy: -165.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1696.071952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.071952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.071952 (E_RNA)
where:
Base-Base interactions energy: -1136.546
where: short stacking energy: -493.976
Base-Backbone interact. energy: -1.869
local terms energy: -557.656715
where:
bonds (distance) C4'-P energy: -108.618
bonds (distance) P-C4' energy: -104.557
flat angles C4'-P-C4' energy: -118.553
flat angles P-C4'-P energy: -80.142
tors. eta vs tors. theta energy: -145.787
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: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1668.199288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.199288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.199288 (E_RNA)
where:
Base-Base interactions energy: -1148.674
where: short stacking energy: -486.230
Base-Backbone interact. energy: -2.460
local terms energy: -517.065447
where:
bonds (distance) C4'-P energy: -99.637
bonds (distance) P-C4' energy: -99.811
flat angles C4'-P-C4' energy: -102.409
flat angles P-C4'-P energy: -83.397
tors. eta vs tors. theta energy: -131.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1586.631448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.631448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.631448 (E_RNA)
where:
Base-Base interactions energy: -1109.120
where: short stacking energy: -453.850
Base-Backbone interact. energy: 1.079
local terms energy: -478.590313
where:
bonds (distance) C4'-P energy: -85.584
bonds (distance) P-C4' energy: -108.308
flat angles C4'-P-C4' energy: -96.031
flat angles P-C4'-P energy: -67.871
tors. eta vs tors. theta energy: -120.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1509.778767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.778767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.778767 (E_RNA)
where:
Base-Base interactions energy: -1012.806
where: short stacking energy: -437.755
Base-Backbone interact. energy: -1.190
local terms energy: -495.782888
where:
bonds (distance) C4'-P energy: -96.466
bonds (distance) P-C4' energy: -97.329
flat angles C4'-P-C4' energy: -116.979
flat angles P-C4'-P energy: -68.106
tors. eta vs tors. theta energy: -116.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1413.294030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.294030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.294030 (E_RNA)
where:
Base-Base interactions energy: -932.159
where: short stacking energy: -402.713
Base-Backbone interact. energy: -1.044
local terms energy: -480.091524
where:
bonds (distance) C4'-P energy: -97.336
bonds (distance) P-C4' energy: -92.250
flat angles C4'-P-C4' energy: -109.477
flat angles P-C4'-P energy: -71.144
tors. eta vs tors. theta energy: -109.884
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: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1213.734472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.734472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.734472 (E_RNA)
where:
Base-Base interactions energy: -772.103
where: short stacking energy: -333.783
Base-Backbone interact. energy: 0.761
local terms energy: -442.392251
where:
bonds (distance) C4'-P energy: -106.700
bonds (distance) P-C4' energy: -98.226
flat angles C4'-P-C4' energy: -96.498
flat angles P-C4'-P energy: -74.102
tors. eta vs tors. theta energy: -66.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -817.165939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.165939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.165939 (E_RNA)
where:
Base-Base interactions energy: -450.784
where: short stacking energy: -217.760
Base-Backbone interact. energy: 0.161
local terms energy: -366.543370
where:
bonds (distance) C4'-P energy: -96.915
bonds (distance) P-C4' energy: -93.609
flat angles C4'-P-C4' energy: -89.088
flat angles P-C4'-P energy: -57.823
tors. eta vs tors. theta energy: -29.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -434.417466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.417466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.417466 (E_RNA)
where:
Base-Base interactions energy: -140.349
where: short stacking energy: -128.064
Base-Backbone interact. energy: 0.059
local terms energy: -294.127198
where:
bonds (distance) C4'-P energy: -99.062
bonds (distance) P-C4' energy: -87.613
flat angles C4'-P-C4' energy: -74.599
flat angles P-C4'-P energy: -45.951
tors. eta vs tors. theta energy: 13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1940.715646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.715646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.715646 (E_RNA)
where:
Base-Base interactions energy: -1329.486
where: short stacking energy: -572.060
Base-Backbone interact. energy: -1.555
local terms energy: -609.675105
where:
bonds (distance) C4'-P energy: -114.535
bonds (distance) P-C4' energy: -119.471
flat angles C4'-P-C4' energy: -123.194
flat angles P-C4'-P energy: -76.588
tors. eta vs tors. theta energy: -175.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1844.875379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.875379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.875379 (E_RNA)
where:
Base-Base interactions energy: -1266.880
where: short stacking energy: -544.211
Base-Backbone interact. energy: -0.121
local terms energy: -577.874624
where:
bonds (distance) C4'-P energy: -103.738
bonds (distance) P-C4' energy: -114.031
flat angles C4'-P-C4' energy: -116.250
flat angles P-C4'-P energy: -75.327
tors. eta vs tors. theta energy: -168.527
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: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1677.597408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.597408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.597408 (E_RNA)
where:
Base-Base interactions energy: -1127.692
where: short stacking energy: -493.548
Base-Backbone interact. energy: -1.925
local terms energy: -547.980005
where:
bonds (distance) C4'-P energy: -107.362
bonds (distance) P-C4' energy: -109.458
flat angles C4'-P-C4' energy: -123.440
flat angles P-C4'-P energy: -77.136
tors. eta vs tors. theta energy: -130.584
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: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1715.149686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.149686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.149686 (E_RNA)
where:
Base-Base interactions energy: -1157.854
where: short stacking energy: -479.073
Base-Backbone interact. energy: -0.583
local terms energy: -556.712778
where:
bonds (distance) C4'-P energy: -105.734
bonds (distance) P-C4' energy: -103.043
flat angles C4'-P-C4' energy: -120.228
flat angles P-C4'-P energy: -83.102
tors. eta vs tors. theta energy: -144.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1604.630684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.630684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.630684 (E_RNA)
where:
Base-Base interactions energy: -1107.037
where: short stacking energy: -482.640
Base-Backbone interact. energy: -2.678
local terms energy: -494.915510
where:
bonds (distance) C4'-P energy: -81.863
bonds (distance) P-C4' energy: -99.108
flat angles C4'-P-C4' energy: -107.968
flat angles P-C4'-P energy: -73.954
tors. eta vs tors. theta energy: -132.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1490.777339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.777339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.777339 (E_RNA)
where:
Base-Base interactions energy: -1019.559
where: short stacking energy: -451.345
Base-Backbone interact. energy: -0.543
local terms energy: -470.675462
where:
bonds (distance) C4'-P energy: -98.269
bonds (distance) P-C4' energy: -84.723
flat angles C4'-P-C4' energy: -100.696
flat angles P-C4'-P energy: -61.120
tors. eta vs tors. theta energy: -125.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1386.810891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.810891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.810891 (E_RNA)
where:
Base-Base interactions energy: -918.170
where: short stacking energy: -393.088
Base-Backbone interact. energy: -2.398
local terms energy: -466.243016
where:
bonds (distance) C4'-P energy: -99.111
bonds (distance) P-C4' energy: -105.032
flat angles C4'-P-C4' energy: -98.691
flat angles P-C4'-P energy: -63.416
tors. eta vs tors. theta energy: -99.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1236.976836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.976836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.976836 (E_RNA)
where:
Base-Base interactions energy: -815.563
where: short stacking energy: -345.295
Base-Backbone interact. energy: -2.557
local terms energy: -418.856628
where:
bonds (distance) C4'-P energy: -97.194
bonds (distance) P-C4' energy: -89.571
flat angles C4'-P-C4' energy: -95.655
flat angles P-C4'-P energy: -54.081
tors. eta vs tors. theta energy: -82.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -787.841615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.841615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.841615 (E_RNA)
where:
Base-Base interactions energy: -449.864
where: short stacking energy: -226.704
Base-Backbone interact. energy: 1.132
local terms energy: -339.110516
where:
bonds (distance) C4'-P energy: -77.113
bonds (distance) P-C4' energy: -93.757
flat angles C4'-P-C4' energy: -74.722
flat angles P-C4'-P energy: -57.929
tors. eta vs tors. theta energy: -35.590
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: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -428.312692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.312692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.312692 (E_RNA)
where:
Base-Base interactions energy: -147.212
where: short stacking energy: -113.229
Base-Backbone interact. energy: -1.484
local terms energy: -279.616250
where:
bonds (distance) C4'-P energy: -92.428
bonds (distance) P-C4' energy: -89.721
flat angles C4'-P-C4' energy: -87.090
flat angles P-C4'-P energy: -36.964
tors. eta vs tors. theta energy: 26.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1940.802336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.802336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.802336 (E_RNA)
where:
Base-Base interactions energy: -1352.126
where: short stacking energy: -573.401
Base-Backbone interact. energy: -2.553
local terms energy: -586.123608
where:
bonds (distance) C4'-P energy: -105.903
bonds (distance) P-C4' energy: -107.627
flat angles C4'-P-C4' energy: -121.894
flat angles P-C4'-P energy: -76.620
tors. eta vs tors. theta energy: -174.080
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: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1836.951930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.951930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.951930 (E_RNA)
where:
Base-Base interactions energy: -1236.388
where: short stacking energy: -549.432
Base-Backbone interact. energy: -2.734
local terms energy: -597.829970
where:
bonds (distance) C4'-P energy: -115.461
bonds (distance) P-C4' energy: -104.333
flat angles C4'-P-C4' energy: -120.248
flat angles P-C4'-P energy: -90.036
tors. eta vs tors. theta energy: -167.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1677.833771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.833771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.833771 (E_RNA)
where:
Base-Base interactions energy: -1138.698
where: short stacking energy: -485.286
Base-Backbone interact. energy: -2.419
local terms energy: -536.716841
where:
bonds (distance) C4'-P energy: -99.018
bonds (distance) P-C4' energy: -112.100
flat angles C4'-P-C4' energy: -115.737
flat angles P-C4'-P energy: -81.188
tors. eta vs tors. theta energy: -128.673
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: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1695.524662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.524662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.524662 (E_RNA)
where:
Base-Base interactions energy: -1165.697
where: short stacking energy: -484.968
Base-Backbone interact. energy: -3.196
local terms energy: -526.631532
where:
bonds (distance) C4'-P energy: -100.029
bonds (distance) P-C4' energy: -93.800
flat angles C4'-P-C4' energy: -113.768
flat angles P-C4'-P energy: -74.978
tors. eta vs tors. theta energy: -144.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1577.467299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.467299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.467299 (E_RNA)
where:
Base-Base interactions energy: -1107.103
where: short stacking energy: -472.891
Base-Backbone interact. energy: 1.295
local terms energy: -471.659916
where:
bonds (distance) C4'-P energy: -95.375
bonds (distance) P-C4' energy: -89.410
flat angles C4'-P-C4' energy: -101.684
flat angles P-C4'-P energy: -62.377
tors. eta vs tors. theta energy: -122.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1483.086107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.086107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.086107 (E_RNA)
where:
Base-Base interactions energy: -1013.531
where: short stacking energy: -434.560
Base-Backbone interact. energy: 1.391
local terms energy: -470.946164
where:
bonds (distance) C4'-P energy: -89.545
bonds (distance) P-C4' energy: -88.873
flat angles C4'-P-C4' energy: -98.567
flat angles P-C4'-P energy: -69.122
tors. eta vs tors. theta energy: -124.838
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: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1398.997667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.997667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.997667 (E_RNA)
where:
Base-Base interactions energy: -941.042
where: short stacking energy: -415.851
Base-Backbone interact. energy: 1.884
local terms energy: -459.839743
where:
bonds (distance) C4'-P energy: -94.155
bonds (distance) P-C4' energy: -93.617
flat angles C4'-P-C4' energy: -96.775
flat angles P-C4'-P energy: -67.520
tors. eta vs tors. theta energy: -107.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1288.690023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.690023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.690023 (E_RNA)
where:
Base-Base interactions energy: -823.647
where: short stacking energy: -378.240
Base-Backbone interact. energy: -1.471
local terms energy: -463.572614
where:
bonds (distance) C4'-P energy: -83.939
bonds (distance) P-C4' energy: -105.165
flat angles C4'-P-C4' energy: -104.695
flat angles P-C4'-P energy: -63.867
tors. eta vs tors. theta energy: -105.906
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: 392
Temperature: 1.300000
Total energy: -808.035502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.035502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.035502 (E_RNA)
where:
Base-Base interactions energy: -475.641
where: short stacking energy: -230.121
Base-Backbone interact. energy: 3.671
local terms energy: -336.065542
where:
bonds (distance) C4'-P energy: -92.908
bonds (distance) P-C4' energy: -100.502
flat angles C4'-P-C4' energy: -83.871
flat angles P-C4'-P energy: -41.739
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -481.630170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.630170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.630170 (E_RNA)
where:
Base-Base interactions energy: -204.548
where: short stacking energy: -135.850
Base-Backbone interact. energy: 2.498
local terms energy: -279.580534
where:
bonds (distance) C4'-P energy: -82.787
bonds (distance) P-C4' energy: -88.189
flat angles C4'-P-C4' energy: -70.549
flat angles P-C4'-P energy: -47.458
tors. eta vs tors. theta energy: 9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1896.123555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.123555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.123555 (E_RNA)
where:
Base-Base interactions energy: -1283.315
where: short stacking energy: -551.920
Base-Backbone interact. energy: -2.872
local terms energy: -609.935907
where:
bonds (distance) C4'-P energy: -107.648
bonds (distance) P-C4' energy: -123.749
flat angles C4'-P-C4' energy: -124.267
flat angles P-C4'-P energy: -88.399
tors. eta vs tors. theta energy: -165.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1816.658084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.658084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.658084 (E_RNA)
where:
Base-Base interactions energy: -1240.223
where: short stacking energy: -521.857
Base-Backbone interact. energy: -2.309
local terms energy: -574.126156
where:
bonds (distance) C4'-P energy: -110.739
bonds (distance) P-C4' energy: -102.302
flat angles C4'-P-C4' energy: -122.453
flat angles P-C4'-P energy: -77.261
tors. eta vs tors. theta energy: -161.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1692.901272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.901272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.901272 (E_RNA)
where:
Base-Base interactions energy: -1147.520
where: short stacking energy: -497.257
Base-Backbone interact. energy: 1.106
local terms energy: -546.487799
where:
bonds (distance) C4'-P energy: -106.006
bonds (distance) P-C4' energy: -91.957
flat angles C4'-P-C4' energy: -125.768
flat angles P-C4'-P energy: -80.106
tors. eta vs tors. theta energy: -142.651
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: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1667.613046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.613046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.613046 (E_RNA)
where:
Base-Base interactions energy: -1132.856
where: short stacking energy: -463.035
Base-Backbone interact. energy: -1.894
local terms energy: -532.863350
where:
bonds (distance) C4'-P energy: -91.079
bonds (distance) P-C4' energy: -100.543
flat angles C4'-P-C4' energy: -121.063
flat angles P-C4'-P energy: -82.151
tors. eta vs tors. theta energy: -138.027
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: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1588.656266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.656266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.656266 (E_RNA)
where:
Base-Base interactions energy: -1101.190
where: short stacking energy: -465.965
Base-Backbone interact. energy: -1.052
local terms energy: -486.414766
where:
bonds (distance) C4'-P energy: -100.770
bonds (distance) P-C4' energy: -96.284
flat angles C4'-P-C4' energy: -113.244
flat angles P-C4'-P energy: -58.880
tors. eta vs tors. theta energy: -117.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1507.203330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.203330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.203330 (E_RNA)
where:
Base-Base interactions energy: -1024.804
where: short stacking energy: -436.893
Base-Backbone interact. energy: -2.933
local terms energy: -479.466105
where:
bonds (distance) C4'-P energy: -97.096
bonds (distance) P-C4' energy: -96.663
flat angles C4'-P-C4' energy: -103.142
flat angles P-C4'-P energy: -67.079
tors. eta vs tors. theta energy: -115.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1373.968220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.968220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.968220 (E_RNA)
where:
Base-Base interactions energy: -916.345
where: short stacking energy: -390.320
Base-Backbone interact. energy: -0.422
local terms energy: -457.200783
where:
bonds (distance) C4'-P energy: -94.864
bonds (distance) P-C4' energy: -97.459
flat angles C4'-P-C4' energy: -105.211
flat angles P-C4'-P energy: -66.493
tors. eta vs tors. theta energy: -93.174
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: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1219.884758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.884758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.884758 (E_RNA)
where:
Base-Base interactions energy: -823.132
where: short stacking energy: -358.334
Base-Backbone interact. energy: 1.126
local terms energy: -397.878595
where:
bonds (distance) C4'-P energy: -76.099
bonds (distance) P-C4' energy: -72.172
flat angles C4'-P-C4' energy: -110.769
flat angles P-C4'-P energy: -60.067
tors. eta vs tors. theta energy: -78.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -775.152609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.152609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.152609 (E_RNA)
where:
Base-Base interactions energy: -446.429
where: short stacking energy: -229.957
Base-Backbone interact. energy: 3.756
local terms energy: -332.479977
where:
bonds (distance) C4'-P energy: -74.838
bonds (distance) P-C4' energy: -81.313
flat angles C4'-P-C4' energy: -93.041
flat angles P-C4'-P energy: -61.984
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -484.422312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.422312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.422312 (E_RNA)
where:
Base-Base interactions energy: -206.619
where: short stacking energy: -149.706
Base-Backbone interact. energy: -0.579
local terms energy: -277.225250
where:
bonds (distance) C4'-P energy: -84.259
bonds (distance) P-C4' energy: -104.562
flat angles C4'-P-C4' energy: -60.308
flat angles P-C4'-P energy: -37.716
tors. eta vs tors. theta energy: 9.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1880.803033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.803033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.803033 (E_RNA)
where:
Base-Base interactions energy: -1299.010
where: short stacking energy: -559.821
Base-Backbone interact. energy: -3.516
local terms energy: -578.277377
where:
bonds (distance) C4'-P energy: -100.801
bonds (distance) P-C4' energy: -109.875
flat angles C4'-P-C4' energy: -121.772
flat angles P-C4'-P energy: -82.506
tors. eta vs tors. theta energy: -163.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1837.527307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.527307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.527307 (E_RNA)
where:
Base-Base interactions energy: -1251.203
where: short stacking energy: -569.101
Base-Backbone interact. energy: -2.915
local terms energy: -583.409699
where:
bonds (distance) C4'-P energy: -105.987
bonds (distance) P-C4' energy: -87.136
flat angles C4'-P-C4' energy: -131.404
flat angles P-C4'-P energy: -88.724
tors. eta vs tors. theta energy: -170.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1739.709487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.709487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.709487 (E_RNA)
where:
Base-Base interactions energy: -1194.071
where: short stacking energy: -503.821
Base-Backbone interact. energy: -3.959
local terms energy: -541.679991
where:
bonds (distance) C4'-P energy: -97.973
bonds (distance) P-C4' energy: -93.838
flat angles C4'-P-C4' energy: -121.631
flat angles P-C4'-P energy: -78.749
tors. eta vs tors. theta energy: -149.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1676.370497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.370497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.370497 (E_RNA)
where:
Base-Base interactions energy: -1139.928
where: short stacking energy: -513.010
Base-Backbone interact. energy: 0.537
local terms energy: -536.978937
where:
bonds (distance) C4'-P energy: -99.180
bonds (distance) P-C4' energy: -97.328
flat angles C4'-P-C4' energy: -127.949
flat angles P-C4'-P energy: -71.950
tors. eta vs tors. theta energy: -140.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1550.322599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.322599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.322599 (E_RNA)
where:
Base-Base interactions energy: -1020.228
where: short stacking energy: -436.283
Base-Backbone interact. energy: -0.291
local terms energy: -529.804168
where:
bonds (distance) C4'-P energy: -107.052
bonds (distance) P-C4' energy: -111.340
flat angles C4'-P-C4' energy: -116.999
flat angles P-C4'-P energy: -74.396
tors. eta vs tors. theta energy: -120.017
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: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1497.454702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.454702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.454702 (E_RNA)
where:
Base-Base interactions energy: -1012.375
where: short stacking energy: -440.814
Base-Backbone interact. energy: 1.925
local terms energy: -487.005133
where:
bonds (distance) C4'-P energy: -90.961
bonds (distance) P-C4' energy: -95.407
flat angles C4'-P-C4' energy: -103.489
flat angles P-C4'-P energy: -70.370
tors. eta vs tors. theta energy: -126.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1340.335265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.335265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.335265 (E_RNA)
where:
Base-Base interactions energy: -895.119
where: short stacking energy: -396.951
Base-Backbone interact. energy: 0.922
local terms energy: -446.138361
where:
bonds (distance) C4'-P energy: -100.614
bonds (distance) P-C4' energy: -88.635
flat angles C4'-P-C4' energy: -98.499
flat angles P-C4'-P energy: -60.617
tors. eta vs tors. theta energy: -97.773
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: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1188.538884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.538884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.538884 (E_RNA)
where:
Base-Base interactions energy: -776.214
where: short stacking energy: -333.162
Base-Backbone interact. energy: 3.392
local terms energy: -415.717388
where:
bonds (distance) C4'-P energy: -81.297
bonds (distance) P-C4' energy: -102.615
flat angles C4'-P-C4' energy: -112.110
flat angles P-C4'-P energy: -53.641
tors. eta vs tors. theta energy: -66.054
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: 394
Temperature: 1.300000
Total energy: -757.765723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.765723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.765723 (E_RNA)
where:
Base-Base interactions energy: -424.546
where: short stacking energy: -217.432
Base-Backbone interact. energy: -0.232
local terms energy: -332.987762
where:
bonds (distance) C4'-P energy: -90.907
bonds (distance) P-C4' energy: -98.409
flat angles C4'-P-C4' energy: -80.946
flat angles P-C4'-P energy: -42.710
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -420.180678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.180678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.180678 (E_RNA)
where:
Base-Base interactions energy: -164.487
where: short stacking energy: -119.728
Base-Backbone interact. energy: 0.138
local terms energy: -255.831977
where:
bonds (distance) C4'-P energy: -66.897
bonds (distance) P-C4' energy: -107.303
flat angles C4'-P-C4' energy: -81.450
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: 22.388
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: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1909.061607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.061607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.061607 (E_RNA)
where:
Base-Base interactions energy: -1319.982
where: short stacking energy: -560.604
Base-Backbone interact. energy: 1.472
local terms energy: -590.551140
where:
bonds (distance) C4'-P energy: -112.270
bonds (distance) P-C4' energy: -111.553
flat angles C4'-P-C4' energy: -121.330
flat angles P-C4'-P energy: -85.600
tors. eta vs tors. theta energy: -159.799
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: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1836.970135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.970135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.970135 (E_RNA)
where:
Base-Base interactions energy: -1254.150
where: short stacking energy: -546.211
Base-Backbone interact. energy: -2.619
local terms energy: -580.201150
where:
bonds (distance) C4'-P energy: -98.425
bonds (distance) P-C4' energy: -112.027
flat angles C4'-P-C4' energy: -129.781
flat angles P-C4'-P energy: -75.474
tors. eta vs tors. theta energy: -164.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1780.523173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.523173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.523173 (E_RNA)
where:
Base-Base interactions energy: -1195.422
where: short stacking energy: -506.936
Base-Backbone interact. energy: -2.277
local terms energy: -582.824667
where:
bonds (distance) C4'-P energy: -107.674
bonds (distance) P-C4' energy: -110.311
flat angles C4'-P-C4' energy: -118.878
flat angles P-C4'-P energy: -89.624
tors. eta vs tors. theta energy: -156.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1611.931618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.931618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.931618 (E_RNA)
where:
Base-Base interactions energy: -1086.857
where: short stacking energy: -513.322
Base-Backbone interact. energy: 1.567
local terms energy: -526.642382
where:
bonds (distance) C4'-P energy: -94.482
bonds (distance) P-C4' energy: -104.478
flat angles C4'-P-C4' energy: -109.955
flat angles P-C4'-P energy: -75.612
tors. eta vs tors. theta energy: -142.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1582.756516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.756516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.756516 (E_RNA)
where:
Base-Base interactions energy: -1065.142
where: short stacking energy: -457.960
Base-Backbone interact. energy: 0.888
local terms energy: -518.502528
where:
bonds (distance) C4'-P energy: -95.464
bonds (distance) P-C4' energy: -106.720
flat angles C4'-P-C4' energy: -128.414
flat angles P-C4'-P energy: -68.962
tors. eta vs tors. theta energy: -118.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1524.185573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.185573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.185573 (E_RNA)
where:
Base-Base interactions energy: -1000.128
where: short stacking energy: -437.443
Base-Backbone interact. energy: 1.159
local terms energy: -525.216631
where:
bonds (distance) C4'-P energy: -107.405
bonds (distance) P-C4' energy: -96.871
flat angles C4'-P-C4' energy: -107.187
flat angles P-C4'-P energy: -79.255
tors. eta vs tors. theta energy: -134.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1365.986325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.986325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.986325 (E_RNA)
where:
Base-Base interactions energy: -913.158
where: short stacking energy: -376.800
Base-Backbone interact. energy: 2.948
local terms energy: -455.776446
where:
bonds (distance) C4'-P energy: -99.514
bonds (distance) P-C4' energy: -94.407
flat angles C4'-P-C4' energy: -106.892
flat angles P-C4'-P energy: -66.948
tors. eta vs tors. theta energy: -88.016
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: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1215.891366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.891366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.891366 (E_RNA)
where:
Base-Base interactions energy: -802.071
where: short stacking energy: -352.416
Base-Backbone interact. energy: -1.861
local terms energy: -411.959395
where:
bonds (distance) C4'-P energy: -93.848
bonds (distance) P-C4' energy: -84.163
flat angles C4'-P-C4' energy: -98.133
flat angles P-C4'-P energy: -61.824
tors. eta vs tors. theta energy: -73.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -785.299800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.299800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.299800 (E_RNA)
where:
Base-Base interactions energy: -427.462
where: short stacking energy: -234.279
Base-Backbone interact. energy: 1.994
local terms energy: -359.831980
where:
bonds (distance) C4'-P energy: -96.583
bonds (distance) P-C4' energy: -97.878
flat angles C4'-P-C4' energy: -74.014
flat angles P-C4'-P energy: -70.557
tors. eta vs tors. theta energy: -20.801
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: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -489.099175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.099175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.099175 (E_RNA)
where:
Base-Base interactions energy: -206.125
where: short stacking energy: -124.022
Base-Backbone interact. energy: 2.346
local terms energy: -285.320544
where:
bonds (distance) C4'-P energy: -88.326
bonds (distance) P-C4' energy: -87.606
flat angles C4'-P-C4' energy: -84.387
flat angles P-C4'-P energy: -49.360
tors. eta vs tors. theta energy: 24.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1945.214719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.214719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.214719 (E_RNA)
where:
Base-Base interactions energy: -1346.822
where: short stacking energy: -575.571
Base-Backbone interact. energy: -4.612
local terms energy: -593.780681
where:
bonds (distance) C4'-P energy: -104.626
bonds (distance) P-C4' energy: -97.362
flat angles C4'-P-C4' energy: -130.042
flat angles P-C4'-P energy: -89.924
tors. eta vs tors. theta energy: -171.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1854.962944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.962944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.962944 (E_RNA)
where:
Base-Base interactions energy: -1286.395
where: short stacking energy: -557.069
Base-Backbone interact. energy: -3.919
local terms energy: -564.648873
where:
bonds (distance) C4'-P energy: -109.006
bonds (distance) P-C4' energy: -95.664
flat angles C4'-P-C4' energy: -116.786
flat angles P-C4'-P energy: -82.261
tors. eta vs tors. theta energy: -160.931
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: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1787.899797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.899797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.899797 (E_RNA)
where:
Base-Base interactions energy: -1228.726
where: short stacking energy: -515.740
Base-Backbone interact. energy: 3.078
local terms energy: -562.251178
where:
bonds (distance) C4'-P energy: -93.918
bonds (distance) P-C4' energy: -105.457
flat angles C4'-P-C4' energy: -131.821
flat angles P-C4'-P energy: -83.043
tors. eta vs tors. theta energy: -148.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1616.147503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.147503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.147503 (E_RNA)
where:
Base-Base interactions energy: -1103.316
where: short stacking energy: -467.642
Base-Backbone interact. energy: -1.039
local terms energy: -511.792499
where:
bonds (distance) C4'-P energy: -84.137
bonds (distance) P-C4' energy: -105.941
flat angles C4'-P-C4' energy: -109.234
flat angles P-C4'-P energy: -80.750
tors. eta vs tors. theta energy: -131.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1593.895993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.895993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.895993 (E_RNA)
where:
Base-Base interactions energy: -1074.367
where: short stacking energy: -473.989
Base-Backbone interact. energy: -1.258
local terms energy: -518.270812
where:
bonds (distance) C4'-P energy: -103.525
bonds (distance) P-C4' energy: -94.924
flat angles C4'-P-C4' energy: -105.438
flat angles P-C4'-P energy: -80.929
tors. eta vs tors. theta energy: -133.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1504.321680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.321680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.321680 (E_RNA)
where:
Base-Base interactions energy: -1009.246
where: short stacking energy: -440.477
Base-Backbone interact. energy: -1.144
local terms energy: -493.931883
where:
bonds (distance) C4'-P energy: -92.832
bonds (distance) P-C4' energy: -99.680
flat angles C4'-P-C4' energy: -102.486
flat angles P-C4'-P energy: -77.270
tors. eta vs tors. theta energy: -121.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1415.619579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.619579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.619579 (E_RNA)
where:
Base-Base interactions energy: -939.730
where: short stacking energy: -409.323
Base-Backbone interact. energy: -0.827
local terms energy: -475.062919
where:
bonds (distance) C4'-P energy: -89.409
bonds (distance) P-C4' energy: -103.418
flat angles C4'-P-C4' energy: -96.658
flat angles P-C4'-P energy: -81.367
tors. eta vs tors. theta energy: -104.211
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: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1220.391208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.391208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.391208 (E_RNA)
where:
Base-Base interactions energy: -792.365
where: short stacking energy: -357.095
Base-Backbone interact. energy: -0.710
local terms energy: -427.315957
where:
bonds (distance) C4'-P energy: -74.886
bonds (distance) P-C4' energy: -101.966
flat angles C4'-P-C4' energy: -101.558
flat angles P-C4'-P energy: -59.495
tors. eta vs tors. theta energy: -89.411
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: 396
Temperature: 1.300000
Total energy: -749.597777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.597777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.597777 (E_RNA)
where:
Base-Base interactions energy: -427.143
where: short stacking energy: -201.203
Base-Backbone interact. energy: -2.084
local terms energy: -320.371115
where:
bonds (distance) C4'-P energy: -94.275
bonds (distance) P-C4' energy: -82.258
flat angles C4'-P-C4' energy: -87.397
flat angles P-C4'-P energy: -42.742
tors. eta vs tors. theta energy: -13.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -472.147374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.147374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.147374 (E_RNA)
where:
Base-Base interactions energy: -200.411
where: short stacking energy: -140.708
Base-Backbone interact. energy: 0.742
local terms energy: -272.478940
where:
bonds (distance) C4'-P energy: -78.381
bonds (distance) P-C4' energy: -96.209
flat angles C4'-P-C4' energy: -73.880
flat angles P-C4'-P energy: -47.300
tors. eta vs tors. theta energy: 23.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1969.548089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.548089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.548089 (E_RNA)
where:
Base-Base interactions energy: -1370.413
where: short stacking energy: -580.486
Base-Backbone interact. energy: -2.557
local terms energy: -596.578480
where:
bonds (distance) C4'-P energy: -100.295
bonds (distance) P-C4' energy: -117.403
flat angles C4'-P-C4' energy: -111.456
flat angles P-C4'-P energy: -93.628
tors. eta vs tors. theta energy: -173.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1824.940002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.940002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.940002 (E_RNA)
where:
Base-Base interactions energy: -1249.080
where: short stacking energy: -539.529
Base-Backbone interact. energy: -0.615
local terms energy: -575.245439
where:
bonds (distance) C4'-P energy: -98.797
bonds (distance) P-C4' energy: -114.442
flat angles C4'-P-C4' energy: -111.050
flat angles P-C4'-P energy: -91.082
tors. eta vs tors. theta energy: -159.875
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: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1734.322507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.322507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.322507 (E_RNA)
where:
Base-Base interactions energy: -1201.034
where: short stacking energy: -507.170
Base-Backbone interact. energy: -3.212
local terms energy: -530.076729
where:
bonds (distance) C4'-P energy: -101.638
bonds (distance) P-C4' energy: -112.165
flat angles C4'-P-C4' energy: -107.423
flat angles P-C4'-P energy: -56.321
tors. eta vs tors. theta energy: -152.530
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: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1600.219657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.219657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.219657 (E_RNA)
where:
Base-Base interactions energy: -1085.315
where: short stacking energy: -498.466
Base-Backbone interact. energy: 1.200
local terms energy: -516.104844
where:
bonds (distance) C4'-P energy: -100.728
bonds (distance) P-C4' energy: -98.298
flat angles C4'-P-C4' energy: -110.747
flat angles P-C4'-P energy: -74.488
tors. eta vs tors. theta energy: -131.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1617.942166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.942166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.942166 (E_RNA)
where:
Base-Base interactions energy: -1108.782
where: short stacking energy: -460.466
Base-Backbone interact. energy: -1.335
local terms energy: -507.825775
where:
bonds (distance) C4'-P energy: -81.399
bonds (distance) P-C4' energy: -108.772
flat angles C4'-P-C4' energy: -107.784
flat angles P-C4'-P energy: -79.171
tors. eta vs tors. theta energy: -130.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1476.664802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.664802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.664802 (E_RNA)
where:
Base-Base interactions energy: -1014.732
where: short stacking energy: -440.990
Base-Backbone interact. energy: -0.860
local terms energy: -461.072305
where:
bonds (distance) C4'-P energy: -89.748
bonds (distance) P-C4' energy: -88.672
flat angles C4'-P-C4' energy: -110.319
flat angles P-C4'-P energy: -67.020
tors. eta vs tors. theta energy: -105.314
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: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1422.377622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.377622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.377622 (E_RNA)
where:
Base-Base interactions energy: -961.274
where: short stacking energy: -427.079
Base-Backbone interact. energy: -1.366
local terms energy: -459.737193
where:
bonds (distance) C4'-P energy: -81.620
bonds (distance) P-C4' energy: -89.184
flat angles C4'-P-C4' energy: -107.680
flat angles P-C4'-P energy: -66.393
tors. eta vs tors. theta energy: -114.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1188.628912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.628912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.628912 (E_RNA)
where:
Base-Base interactions energy: -762.452
where: short stacking energy: -331.195
Base-Backbone interact. energy: -1.831
local terms energy: -424.345889
where:
bonds (distance) C4'-P energy: -101.107
bonds (distance) P-C4' energy: -100.452
flat angles C4'-P-C4' energy: -96.733
flat angles P-C4'-P energy: -50.278
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: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -814.826413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.826413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.826413 (E_RNA)
where:
Base-Base interactions energy: -463.896
where: short stacking energy: -225.930
Base-Backbone interact. energy: 8.353
local terms energy: -359.283178
where:
bonds (distance) C4'-P energy: -101.966
bonds (distance) P-C4' energy: -96.874
flat angles C4'-P-C4' energy: -82.080
flat angles P-C4'-P energy: -55.312
tors. eta vs tors. theta energy: -23.050
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: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -492.640757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.640757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.640757 (E_RNA)
where:
Base-Base interactions energy: -223.053
where: short stacking energy: -139.515
Base-Backbone interact. energy: 0.202
local terms energy: -269.789355
where:
bonds (distance) C4'-P energy: -91.790
bonds (distance) P-C4' energy: -76.759
flat angles C4'-P-C4' energy: -76.158
flat angles P-C4'-P energy: -46.930
tors. eta vs tors. theta energy: 21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1955.356539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.356539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.356539 (E_RNA)
where:
Base-Base interactions energy: -1372.416
where: short stacking energy: -583.999
Base-Backbone interact. energy: -1.074
local terms energy: -581.866581
where:
bonds (distance) C4'-P energy: -105.154
bonds (distance) P-C4' energy: -100.526
flat angles C4'-P-C4' energy: -118.184
flat angles P-C4'-P energy: -91.514
tors. eta vs tors. theta energy: -166.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1881.135209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.135209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.135209 (E_RNA)
where:
Base-Base interactions energy: -1275.809
where: short stacking energy: -563.535
Base-Backbone interact. energy: -3.768
local terms energy: -601.557857
where:
bonds (distance) C4'-P energy: -89.925
bonds (distance) P-C4' energy: -112.819
flat angles C4'-P-C4' energy: -130.696
flat angles P-C4'-P energy: -93.544
tors. eta vs tors. theta energy: -174.574
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: 398
Temperature: 1.000000
Total energy: -1785.289290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.289290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.289290 (E_RNA)
where:
Base-Base interactions energy: -1220.404
where: short stacking energy: -510.547
Base-Backbone interact. energy: -2.717
local terms energy: -562.168944
where:
bonds (distance) C4'-P energy: -102.487
bonds (distance) P-C4' energy: -104.649
flat angles C4'-P-C4' energy: -127.905
flat angles P-C4'-P energy: -70.366
tors. eta vs tors. theta energy: -156.763
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: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1646.540322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.540322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.540322 (E_RNA)
where:
Base-Base interactions energy: -1129.442
where: short stacking energy: -482.315
Base-Backbone interact. energy: 2.101
local terms energy: -519.199819
where:
bonds (distance) C4'-P energy: -105.711
bonds (distance) P-C4' energy: -104.289
flat angles C4'-P-C4' energy: -104.774
flat angles P-C4'-P energy: -74.398
tors. eta vs tors. theta energy: -130.029
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: 398
Temperature: 1.100000
Total energy: -1652.207720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.207720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.207720 (E_RNA)
where:
Base-Base interactions energy: -1104.175
where: short stacking energy: -487.823
Base-Backbone interact. energy: -1.295
local terms energy: -546.738209
where:
bonds (distance) C4'-P energy: -106.902
bonds (distance) P-C4' energy: -105.871
flat angles C4'-P-C4' energy: -105.218
flat angles P-C4'-P energy: -76.535
tors. eta vs tors. theta energy: -152.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1515.021156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.021156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.021156 (E_RNA)
where:
Base-Base interactions energy: -1038.430
where: short stacking energy: -441.445
Base-Backbone interact. energy: 0.398
local terms energy: -476.989525
where:
bonds (distance) C4'-P energy: -89.956
bonds (distance) P-C4' energy: -92.981
flat angles C4'-P-C4' energy: -111.154
flat angles P-C4'-P energy: -64.821
tors. eta vs tors. theta energy: -118.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1355.029294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.029294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.029294 (E_RNA)
where:
Base-Base interactions energy: -906.453
where: short stacking energy: -416.005
Base-Backbone interact. energy: -1.406
local terms energy: -447.170446
where:
bonds (distance) C4'-P energy: -85.883
bonds (distance) P-C4' energy: -91.072
flat angles C4'-P-C4' energy: -93.082
flat angles P-C4'-P energy: -70.543
tors. eta vs tors. theta energy: -106.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1222.196676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.196676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.196676 (E_RNA)
where:
Base-Base interactions energy: -842.685
where: short stacking energy: -374.324
Base-Backbone interact. energy: 1.394
local terms energy: -380.905411
where:
bonds (distance) C4'-P energy: -79.553
bonds (distance) P-C4' energy: -81.459
flat angles C4'-P-C4' energy: -71.006
flat angles P-C4'-P energy: -52.813
tors. eta vs tors. theta energy: -96.075
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: 398
Temperature: 1.300000
Total energy: -780.307384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.307384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.307384 (E_RNA)
where:
Base-Base interactions energy: -415.908
where: short stacking energy: -215.128
Base-Backbone interact. energy: -1.442
local terms energy: -362.957261
where:
bonds (distance) C4'-P energy: -96.863
bonds (distance) P-C4' energy: -84.967
flat angles C4'-P-C4' energy: -97.862
flat angles P-C4'-P energy: -51.479
tors. eta vs tors. theta energy: -31.787
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: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -535.339110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.339110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.339110 (E_RNA)
where:
Base-Base interactions energy: -243.622
where: short stacking energy: -142.329
Base-Backbone interact. energy: -1.294
local terms energy: -290.422991
where:
bonds (distance) C4'-P energy: -84.801
bonds (distance) P-C4' energy: -105.020
flat angles C4'-P-C4' energy: -79.307
flat angles P-C4'-P energy: -33.018
tors. eta vs tors. theta energy: 11.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1934.111023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.111023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.111023 (E_RNA)
where:
Base-Base interactions energy: -1361.715
where: short stacking energy: -572.457
Base-Backbone interact. energy: -0.673
local terms energy: -571.723072
where:
bonds (distance) C4'-P energy: -101.981
bonds (distance) P-C4' energy: -94.954
flat angles C4'-P-C4' energy: -128.313
flat angles P-C4'-P energy: -81.550
tors. eta vs tors. theta energy: -164.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1858.514691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.514691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.514691 (E_RNA)
where:
Base-Base interactions energy: -1276.808
where: short stacking energy: -565.180
Base-Backbone interact. energy: -1.800
local terms energy: -579.906589
where:
bonds (distance) C4'-P energy: -92.879
bonds (distance) P-C4' energy: -106.931
flat angles C4'-P-C4' energy: -129.203
flat angles P-C4'-P energy: -86.495
tors. eta vs tors. theta energy: -164.399
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: 399
Temperature: 1.000000
Total energy: -1755.289724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.289724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.289724 (E_RNA)
where:
Base-Base interactions energy: -1201.514
where: short stacking energy: -529.492
Base-Backbone interact. energy: -4.157
local terms energy: -549.618915
where:
bonds (distance) C4'-P energy: -93.273
bonds (distance) P-C4' energy: -108.930
flat angles C4'-P-C4' energy: -113.170
flat angles P-C4'-P energy: -79.541
tors. eta vs tors. theta energy: -154.705
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: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1623.520631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.520631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.520631 (E_RNA)
where:
Base-Base interactions energy: -1090.992
where: short stacking energy: -477.449
Base-Backbone interact. energy: 1.425
local terms energy: -533.954241
where:
bonds (distance) C4'-P energy: -109.316
bonds (distance) P-C4' energy: -113.042
flat angles C4'-P-C4' energy: -106.920
flat angles P-C4'-P energy: -75.908
tors. eta vs tors. theta energy: -128.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1675.299933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.299933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.299933 (E_RNA)
where:
Base-Base interactions energy: -1142.715
where: short stacking energy: -489.092
Base-Backbone interact. energy: -1.954
local terms energy: -530.630668
where:
bonds (distance) C4'-P energy: -101.707
bonds (distance) P-C4' energy: -93.054
flat angles C4'-P-C4' energy: -114.842
flat angles P-C4'-P energy: -80.875
tors. eta vs tors. theta energy: -140.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1485.795632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.795632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.795632 (E_RNA)
where:
Base-Base interactions energy: -1020.682
where: short stacking energy: -448.722
Base-Backbone interact. energy: -1.603
local terms energy: -463.510348
where:
bonds (distance) C4'-P energy: -74.882
bonds (distance) P-C4' energy: -98.138
flat angles C4'-P-C4' energy: -103.883
flat angles P-C4'-P energy: -78.145
tors. eta vs tors. theta energy: -108.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1398.044419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.044419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.044419 (E_RNA)
where:
Base-Base interactions energy: -944.975
where: short stacking energy: -425.504
Base-Backbone interact. energy: -0.816
local terms energy: -452.253006
where:
bonds (distance) C4'-P energy: -92.839
bonds (distance) P-C4' energy: -89.820
flat angles C4'-P-C4' energy: -87.586
flat angles P-C4'-P energy: -77.979
tors. eta vs tors. theta energy: -104.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1195.644299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.644299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.644299 (E_RNA)
where:
Base-Base interactions energy: -786.744
where: short stacking energy: -353.133
Base-Backbone interact. energy: 4.062
local terms energy: -412.962330
where:
bonds (distance) C4'-P energy: -82.420
bonds (distance) P-C4' energy: -96.570
flat angles C4'-P-C4' energy: -90.094
flat angles P-C4'-P energy: -62.020
tors. eta vs tors. theta energy: -81.858
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: 399
Temperature: 1.300000
Total energy: -790.240804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.240804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.240804 (E_RNA)
where:
Base-Base interactions energy: -469.617
where: short stacking energy: -234.988
Base-Backbone interact. energy: -2.623
local terms energy: -318.000670
where:
bonds (distance) C4'-P energy: -86.943
bonds (distance) P-C4' energy: -88.060
flat angles C4'-P-C4' energy: -80.922
flat angles P-C4'-P energy: -45.599
tors. eta vs tors. theta energy: -16.477
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: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -490.621408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.621408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.621408 (E_RNA)
where:
Base-Base interactions energy: -215.647
where: short stacking energy: -152.675
Base-Backbone interact. energy: 7.022
local terms energy: -281.996197
where:
bonds (distance) C4'-P energy: -73.599
bonds (distance) P-C4' energy: -94.122
flat angles C4'-P-C4' energy: -76.532
flat angles P-C4'-P energy: -41.391
tors. eta vs tors. theta energy: 3.648
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: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1945.031647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.031647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.031647 (E_RNA)
where:
Base-Base interactions energy: -1355.801
where: short stacking energy: -588.152
Base-Backbone interact. energy: -2.291
local terms energy: -586.939519
where:
bonds (distance) C4'-P energy: -109.107
bonds (distance) P-C4' energy: -111.394
flat angles C4'-P-C4' energy: -123.542
flat angles P-C4'-P energy: -72.661
tors. eta vs tors. theta energy: -170.234
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: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1881.991116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.991116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.991116 (E_RNA)
where:
Base-Base interactions energy: -1289.204
where: short stacking energy: -567.859
Base-Backbone interact. energy: 1.013
local terms energy: -593.800872
where:
bonds (distance) C4'-P energy: -96.766
bonds (distance) P-C4' energy: -113.745
flat angles C4'-P-C4' energy: -127.463
flat angles P-C4'-P energy: -82.232
tors. eta vs tors. theta energy: -173.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1773.318183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.318183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.318183 (E_RNA)
where:
Base-Base interactions energy: -1212.026
where: short stacking energy: -540.033
Base-Backbone interact. energy: -0.875
local terms energy: -560.416727
where:
bonds (distance) C4'-P energy: -100.288
bonds (distance) P-C4' energy: -98.499
flat angles C4'-P-C4' energy: -117.662
flat angles P-C4'-P energy: -78.574
tors. eta vs tors. theta energy: -165.395
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: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1650.814556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.814556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.814556 (E_RNA)
where:
Base-Base interactions energy: -1136.842
where: short stacking energy: -492.620
Base-Backbone interact. energy: 0.158
local terms energy: -514.130332
where:
bonds (distance) C4'-P energy: -101.160
bonds (distance) P-C4' energy: -98.553
flat angles C4'-P-C4' energy: -103.337
flat angles P-C4'-P energy: -70.741
tors. eta vs tors. theta energy: -140.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1646.911645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.911645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.911645 (E_RNA)
where:
Base-Base interactions energy: -1136.607
where: short stacking energy: -481.578
Base-Backbone interact. energy: -1.453
local terms energy: -508.852032
where:
bonds (distance) C4'-P energy: -91.263
bonds (distance) P-C4' energy: -106.754
flat angles C4'-P-C4' energy: -108.824
flat angles P-C4'-P energy: -67.976
tors. eta vs tors. theta energy: -134.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1506.331809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.331809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.331809 (E_RNA)
where:
Base-Base interactions energy: -1010.488
where: short stacking energy: -440.814
Base-Backbone interact. energy: -1.096
local terms energy: -494.747614
where:
bonds (distance) C4'-P energy: -106.368
bonds (distance) P-C4' energy: -92.156
flat angles C4'-P-C4' energy: -92.459
flat angles P-C4'-P energy: -80.173
tors. eta vs tors. theta energy: -123.591
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: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1392.683244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.683244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.683244 (E_RNA)
where:
Base-Base interactions energy: -944.766
where: short stacking energy: -360.970
Base-Backbone interact. energy: -2.999
local terms energy: -444.917565
where:
bonds (distance) C4'-P energy: -105.344
bonds (distance) P-C4' energy: -87.620
flat angles C4'-P-C4' energy: -114.229
flat angles P-C4'-P energy: -52.784
tors. eta vs tors. theta energy: -84.941
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: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1196.008857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.008857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.008857 (E_RNA)
where:
Base-Base interactions energy: -791.655
where: short stacking energy: -329.865
Base-Backbone interact. energy: 0.056
local terms energy: -404.409918
where:
bonds (distance) C4'-P energy: -97.421
bonds (distance) P-C4' energy: -92.741
flat angles C4'-P-C4' energy: -81.731
flat angles P-C4'-P energy: -66.950
tors. eta vs tors. theta energy: -65.567
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: 400
Temperature: 1.300000
Total energy: -767.179739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.179739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.179739 (E_RNA)
where:
Base-Base interactions energy: -427.979
where: short stacking energy: -209.042
Base-Backbone interact. energy: -0.375
local terms energy: -338.826394
where:
bonds (distance) C4'-P energy: -85.671
bonds (distance) P-C4' energy: -92.602
flat angles C4'-P-C4' energy: -88.545
flat angles P-C4'-P energy: -58.442
tors. eta vs tors. theta energy: -13.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -498.137902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.137902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.137902 (E_RNA)
where:
Base-Base interactions energy: -185.100
where: short stacking energy: -143.552
Base-Backbone interact. energy: 1.677
local terms energy: -314.715470
where:
bonds (distance) C4'-P energy: -81.120
bonds (distance) P-C4' energy: -90.976
flat angles C4'-P-C4' energy: -90.090
flat angles P-C4'-P energy: -53.025
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1942.305948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.305948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.305948 (E_RNA)
where:
Base-Base interactions energy: -1358.236
where: short stacking energy: -576.632
Base-Backbone interact. energy: -1.330
local terms energy: -582.740014
where:
bonds (distance) C4'-P energy: -96.790
bonds (distance) P-C4' energy: -104.334
flat angles C4'-P-C4' energy: -123.569
flat angles P-C4'-P energy: -88.602
tors. eta vs tors. theta energy: -169.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1848.795599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.795599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.795599 (E_RNA)
where:
Base-Base interactions energy: -1281.220
where: short stacking energy: -551.256
Base-Backbone interact. energy: -1.870
local terms energy: -565.705584
where:
bonds (distance) C4'-P energy: -103.370
bonds (distance) P-C4' energy: -103.962
flat angles C4'-P-C4' energy: -123.172
flat angles P-C4'-P energy: -79.181
tors. eta vs tors. theta energy: -156.021
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: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1771.798900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.798900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.798900 (E_RNA)
where:
Base-Base interactions energy: -1232.030
where: short stacking energy: -537.391
Base-Backbone interact. energy: -2.091
local terms energy: -537.678000
where:
bonds (distance) C4'-P energy: -91.155
bonds (distance) P-C4' energy: -101.881
flat angles C4'-P-C4' energy: -107.612
flat angles P-C4'-P energy: -73.056
tors. eta vs tors. theta energy: -163.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1682.502095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.502095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.502095 (E_RNA)
where:
Base-Base interactions energy: -1178.234
where: short stacking energy: -507.701
Base-Backbone interact. energy: -1.586
local terms energy: -502.682571
where:
bonds (distance) C4'-P energy: -93.783
bonds (distance) P-C4' energy: -85.135
flat angles C4'-P-C4' energy: -114.243
flat angles P-C4'-P energy: -65.225
tors. eta vs tors. theta energy: -144.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1601.575879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.575879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.575879 (E_RNA)
where:
Base-Base interactions energy: -1064.135
where: short stacking energy: -466.240
Base-Backbone interact. energy: -0.656
local terms energy: -536.783971
where:
bonds (distance) C4'-P energy: -102.169
bonds (distance) P-C4' energy: -115.948
flat angles C4'-P-C4' energy: -117.104
flat angles P-C4'-P energy: -68.649
tors. eta vs tors. theta energy: -132.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1531.092131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.092131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.092131 (E_RNA)
where:
Base-Base interactions energy: -1010.680
where: short stacking energy: -442.477
Base-Backbone interact. energy: -0.105
local terms energy: -520.307593
where:
bonds (distance) C4'-P energy: -92.598
bonds (distance) P-C4' energy: -105.588
flat angles C4'-P-C4' energy: -113.967
flat angles P-C4'-P energy: -73.576
tors. eta vs tors. theta energy: -134.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1425.704953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.704953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.704953 (E_RNA)
where:
Base-Base interactions energy: -969.203
where: short stacking energy: -412.997
Base-Backbone interact. energy: -2.317
local terms energy: -454.185710
where:
bonds (distance) C4'-P energy: -94.257
bonds (distance) P-C4' energy: -97.075
flat angles C4'-P-C4' energy: -96.720
flat angles P-C4'-P energy: -63.889
tors. eta vs tors. theta energy: -102.245
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: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1197.105621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.105621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.105621 (E_RNA)
where:
Base-Base interactions energy: -813.880
where: short stacking energy: -373.842
Base-Backbone interact. energy: 1.043
local terms energy: -384.268070
where:
bonds (distance) C4'-P energy: -79.256
bonds (distance) P-C4' energy: -95.138
flat angles C4'-P-C4' energy: -86.012
flat angles P-C4'-P energy: -45.400
tors. eta vs tors. theta energy: -78.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -735.981886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.981886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.981886 (E_RNA)
where:
Base-Base interactions energy: -395.023
where: short stacking energy: -198.226
Base-Backbone interact. energy: -0.939
local terms energy: -340.020332
where:
bonds (distance) C4'-P energy: -75.884
bonds (distance) P-C4' energy: -106.022
flat angles C4'-P-C4' energy: -89.348
flat angles P-C4'-P energy: -58.907
tors. eta vs tors. theta energy: -9.860
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: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -533.685060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.685060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.685060 (E_RNA)
where:
Base-Base interactions energy: -237.730
where: short stacking energy: -153.748
Base-Backbone interact. energy: -0.253
local terms energy: -295.702637
where:
bonds (distance) C4'-P energy: -101.165
bonds (distance) P-C4' energy: -84.591
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -50.438
tors. eta vs tors. theta energy: 1.575
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: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1959.493475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.493475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.493475 (E_RNA)
where:
Base-Base interactions energy: -1373.156
where: short stacking energy: -585.042
Base-Backbone interact. energy: 0.720
local terms energy: -587.057926
where:
bonds (distance) C4'-P energy: -109.840
bonds (distance) P-C4' energy: -90.176
flat angles C4'-P-C4' energy: -124.413
flat angles P-C4'-P energy: -92.337
tors. eta vs tors. theta energy: -170.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1829.154088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.154088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.154088 (E_RNA)
where:
Base-Base interactions energy: -1265.633
where: short stacking energy: -553.174
Base-Backbone interact. energy: -3.338
local terms energy: -560.182479
where:
bonds (distance) C4'-P energy: -98.396
bonds (distance) P-C4' energy: -91.811
flat angles C4'-P-C4' energy: -118.790
flat angles P-C4'-P energy: -79.583
tors. eta vs tors. theta energy: -171.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1719.475681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.475681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.475681 (E_RNA)
where:
Base-Base interactions energy: -1169.033
where: short stacking energy: -517.233
Base-Backbone interact. energy: -3.167
local terms energy: -547.275819
where:
bonds (distance) C4'-P energy: -103.942
bonds (distance) P-C4' energy: -107.589
flat angles C4'-P-C4' energy: -104.325
flat angles P-C4'-P energy: -73.314
tors. eta vs tors. theta energy: -158.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1714.121288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.121288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.121288 (E_RNA)
where:
Base-Base interactions energy: -1167.109
where: short stacking energy: -489.337
Base-Backbone interact. energy: -1.770
local terms energy: -545.242238
where:
bonds (distance) C4'-P energy: -99.445
bonds (distance) P-C4' energy: -99.614
flat angles C4'-P-C4' energy: -116.527
flat angles P-C4'-P energy: -86.424
tors. eta vs tors. theta energy: -143.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1568.018450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.018450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.018450 (E_RNA)
where:
Base-Base interactions energy: -1081.516
where: short stacking energy: -456.345
Base-Backbone interact. energy: -1.952
local terms energy: -484.550077
where:
bonds (distance) C4'-P energy: -105.737
bonds (distance) P-C4' energy: -83.404
flat angles C4'-P-C4' energy: -107.500
flat angles P-C4'-P energy: -72.796
tors. eta vs tors. theta energy: -115.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1522.601028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.601028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.601028 (E_RNA)
where:
Base-Base interactions energy: -1018.982
where: short stacking energy: -457.943
Base-Backbone interact. energy: -1.171
local terms energy: -502.448283
where:
bonds (distance) C4'-P energy: -92.756
bonds (distance) P-C4' energy: -104.041
flat angles C4'-P-C4' energy: -104.389
flat angles P-C4'-P energy: -65.677
tors. eta vs tors. theta energy: -135.587
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: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1398.521856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.521856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.521856 (E_RNA)
where:
Base-Base interactions energy: -936.702
where: short stacking energy: -377.665
Base-Backbone interact. energy: -1.342
local terms energy: -460.478455
where:
bonds (distance) C4'-P energy: -97.666
bonds (distance) P-C4' energy: -95.436
flat angles C4'-P-C4' energy: -104.491
flat angles P-C4'-P energy: -64.597
tors. eta vs tors. theta energy: -98.288
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: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1100.192904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.192904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.192904 (E_RNA)
where:
Base-Base interactions energy: -713.556
where: short stacking energy: -305.677
Base-Backbone interact. energy: -2.081
local terms energy: -384.555737
where:
bonds (distance) C4'-P energy: -92.228
bonds (distance) P-C4' energy: -82.538
flat angles C4'-P-C4' energy: -92.154
flat angles P-C4'-P energy: -67.512
tors. eta vs tors. theta energy: -50.123
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: 402
Temperature: 1.300000
Total energy: -810.436213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.436213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.436213 (E_RNA)
where:
Base-Base interactions energy: -440.302
where: short stacking energy: -203.099
Base-Backbone interact. energy: -1.677
local terms energy: -368.456870
where:
bonds (distance) C4'-P energy: -96.620
bonds (distance) P-C4' energy: -102.967
flat angles C4'-P-C4' energy: -93.789
flat angles P-C4'-P energy: -57.810
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -549.530243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.530243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.530243 (E_RNA)
where:
Base-Base interactions energy: -241.659
where: short stacking energy: -137.856
Base-Backbone interact. energy: 1.797
local terms energy: -309.667760
where:
bonds (distance) C4'-P energy: -90.309
bonds (distance) P-C4' energy: -99.423
flat angles C4'-P-C4' energy: -79.422
flat angles P-C4'-P energy: -39.278
tors. eta vs tors. theta energy: -1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1913.621425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.621425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.621425 (E_RNA)
where:
Base-Base interactions energy: -1322.387
where: short stacking energy: -586.499
Base-Backbone interact. energy: -2.106
local terms energy: -589.129066
where:
bonds (distance) C4'-P energy: -101.244
bonds (distance) P-C4' energy: -109.724
flat angles C4'-P-C4' energy: -126.131
flat angles P-C4'-P energy: -77.247
tors. eta vs tors. theta energy: -174.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1847.102318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.102318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.102318 (E_RNA)
where:
Base-Base interactions energy: -1268.435
where: short stacking energy: -558.895
Base-Backbone interact. energy: -3.412
local terms energy: -575.255301
where:
bonds (distance) C4'-P energy: -98.232
bonds (distance) P-C4' energy: -112.653
flat angles C4'-P-C4' energy: -125.333
flat angles P-C4'-P energy: -80.206
tors. eta vs tors. theta energy: -158.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1759.566862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.566862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.566862 (E_RNA)
where:
Base-Base interactions energy: -1220.646
where: short stacking energy: -510.245
Base-Backbone interact. energy: -1.455
local terms energy: -537.465447
where:
bonds (distance) C4'-P energy: -100.622
bonds (distance) P-C4' energy: -99.578
flat angles C4'-P-C4' energy: -120.775
flat angles P-C4'-P energy: -80.926
tors. eta vs tors. theta energy: -135.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1621.268831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.268831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.268831 (E_RNA)
where:
Base-Base interactions energy: -1070.760
where: short stacking energy: -477.586
Base-Backbone interact. energy: -0.667
local terms energy: -549.841876
where:
bonds (distance) C4'-P energy: -95.584
bonds (distance) P-C4' energy: -105.268
flat angles C4'-P-C4' energy: -122.240
flat angles P-C4'-P energy: -81.239
tors. eta vs tors. theta energy: -145.511
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: 403
Temperature: 1.100000
Total energy: -1644.879132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.879132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.879132 (E_RNA)
where:
Base-Base interactions energy: -1130.104
where: short stacking energy: -463.002
Base-Backbone interact. energy: -1.502
local terms energy: -513.272991
where:
bonds (distance) C4'-P energy: -97.529
bonds (distance) P-C4' energy: -98.252
flat angles C4'-P-C4' energy: -116.748
flat angles P-C4'-P energy: -70.174
tors. eta vs tors. theta energy: -130.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1483.300569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.300569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.300569 (E_RNA)
where:
Base-Base interactions energy: -1012.393
where: short stacking energy: -420.356
Base-Backbone interact. energy: 0.099
local terms energy: -471.006569
where:
bonds (distance) C4'-P energy: -96.170
bonds (distance) P-C4' energy: -99.578
flat angles C4'-P-C4' energy: -106.868
flat angles P-C4'-P energy: -56.068
tors. eta vs tors. theta energy: -112.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1480.864510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.864510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.864510 (E_RNA)
where:
Base-Base interactions energy: -980.089
where: short stacking energy: -425.441
Base-Backbone interact. energy: 0.474
local terms energy: -501.248651
where:
bonds (distance) C4'-P energy: -87.566
bonds (distance) P-C4' energy: -96.511
flat angles C4'-P-C4' energy: -120.591
flat angles P-C4'-P energy: -72.685
tors. eta vs tors. theta energy: -123.896
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: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1124.047469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.047469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.047469 (E_RNA)
where:
Base-Base interactions energy: -752.089
where: short stacking energy: -315.490
Base-Backbone interact. energy: 1.449
local terms energy: -373.407220
where:
bonds (distance) C4'-P energy: -80.792
bonds (distance) P-C4' energy: -90.744
flat angles C4'-P-C4' energy: -89.204
flat angles P-C4'-P energy: -43.020
tors. eta vs tors. theta energy: -69.647
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: 403
Temperature: 1.300000
Total energy: -850.366713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.366713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.366713 (E_RNA)
where:
Base-Base interactions energy: -494.666
where: short stacking energy: -229.123
Base-Backbone interact. energy: -0.341
local terms energy: -355.360510
where:
bonds (distance) C4'-P energy: -77.610
bonds (distance) P-C4' energy: -99.749
flat angles C4'-P-C4' energy: -87.676
flat angles P-C4'-P energy: -56.565
tors. eta vs tors. theta energy: -33.761
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: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -493.364440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.364440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.364440 (E_RNA)
where:
Base-Base interactions energy: -210.647
where: short stacking energy: -149.821
Base-Backbone interact. energy: 0.719
local terms energy: -283.435628
where:
bonds (distance) C4'-P energy: -85.584
bonds (distance) P-C4' energy: -98.038
flat angles C4'-P-C4' energy: -67.900
flat angles P-C4'-P energy: -45.318
tors. eta vs tors. theta energy: 13.404
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: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1928.658151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.658151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.658151 (E_RNA)
where:
Base-Base interactions energy: -1333.824
where: short stacking energy: -580.563
Base-Backbone interact. energy: -1.430
local terms energy: -593.404766
where:
bonds (distance) C4'-P energy: -107.423
bonds (distance) P-C4' energy: -113.514
flat angles C4'-P-C4' energy: -126.978
flat angles P-C4'-P energy: -76.841
tors. eta vs tors. theta energy: -168.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1855.507397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.507397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.507397 (E_RNA)
where:
Base-Base interactions energy: -1312.876
where: short stacking energy: -570.384
Base-Backbone interact. energy: -2.413
local terms energy: -540.218013
where:
bonds (distance) C4'-P energy: -99.022
bonds (distance) P-C4' energy: -82.991
flat angles C4'-P-C4' energy: -113.876
flat angles P-C4'-P energy: -79.596
tors. eta vs tors. theta energy: -164.734
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: 404
Temperature: 1.000000
Total energy: -1775.288531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.288531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.288531 (E_RNA)
where:
Base-Base interactions energy: -1198.797
where: short stacking energy: -509.327
Base-Backbone interact. energy: -1.794
local terms energy: -574.698355
where:
bonds (distance) C4'-P energy: -115.161
bonds (distance) P-C4' energy: -115.647
flat angles C4'-P-C4' energy: -112.060
flat angles P-C4'-P energy: -79.817
tors. eta vs tors. theta energy: -152.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1633.790078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.790078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.790078 (E_RNA)
where:
Base-Base interactions energy: -1102.409
where: short stacking energy: -475.323
Base-Backbone interact. energy: -2.518
local terms energy: -528.863416
where:
bonds (distance) C4'-P energy: -109.609
bonds (distance) P-C4' energy: -94.456
flat angles C4'-P-C4' energy: -106.403
flat angles P-C4'-P energy: -86.779
tors. eta vs tors. theta energy: -131.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1632.539094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.539094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.539094 (E_RNA)
where:
Base-Base interactions energy: -1110.738
where: short stacking energy: -456.878
Base-Backbone interact. energy: -2.216
local terms energy: -519.585088
where:
bonds (distance) C4'-P energy: -96.332
bonds (distance) P-C4' energy: -102.022
flat angles C4'-P-C4' energy: -101.661
flat angles P-C4'-P energy: -76.221
tors. eta vs tors. theta energy: -143.349
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: 6, replica: 2
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1498.945076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.945076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.945076 (E_RNA)
where:
Base-Base interactions energy: -1015.958
where: short stacking energy: -450.781
Base-Backbone interact. energy: -3.430
local terms energy: -479.556802
where:
bonds (distance) C4'-P energy: -87.693
bonds (distance) P-C4' energy: -86.935
flat angles C4'-P-C4' energy: -102.032
flat angles P-C4'-P energy: -74.062
tors. eta vs tors. theta energy: -128.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1491.871639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.871639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.871639 (E_RNA)
where:
Base-Base interactions energy: -984.180
where: short stacking energy: -420.824
Base-Backbone interact. energy: -0.648
local terms energy: -507.043425
where:
bonds (distance) C4'-P energy: -106.994
bonds (distance) P-C4' energy: -94.687
flat angles C4'-P-C4' energy: -104.419
flat angles P-C4'-P energy: -71.453
tors. eta vs tors. theta energy: -129.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1232.522539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.522539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.522539 (E_RNA)
where:
Base-Base interactions energy: -818.385
where: short stacking energy: -341.486
Base-Backbone interact. energy: -2.502
local terms energy: -411.634654
where:
bonds (distance) C4'-P energy: -83.513
bonds (distance) P-C4' energy: -112.030
flat angles C4'-P-C4' energy: -93.894
flat angles P-C4'-P energy: -54.810
tors. eta vs tors. theta energy: -67.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -808.136057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.136057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.136057 (E_RNA)
where:
Base-Base interactions energy: -480.708
where: short stacking energy: -238.031
Base-Backbone interact. energy: -1.821
local terms energy: -325.606987
where:
bonds (distance) C4'-P energy: -82.249
bonds (distance) P-C4' energy: -83.110
flat angles C4'-P-C4' energy: -86.220
flat angles P-C4'-P energy: -42.643
tors. eta vs tors. theta energy: -31.384
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: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -481.461074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.461074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.461074 (E_RNA)
where:
Base-Base interactions energy: -212.364
where: short stacking energy: -147.957
Base-Backbone interact. energy: 2.048
local terms energy: -271.145609
where:
bonds (distance) C4'-P energy: -89.552
bonds (distance) P-C4' energy: -92.112
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -24.753
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1949.116995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.116995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.116995 (E_RNA)
where:
Base-Base interactions energy: -1347.928
where: short stacking energy: -586.769
Base-Backbone interact. energy: -2.096
local terms energy: -599.092845
where:
bonds (distance) C4'-P energy: -102.994
bonds (distance) P-C4' energy: -107.915
flat angles C4'-P-C4' energy: -131.166
flat angles P-C4'-P energy: -87.096
tors. eta vs tors. theta energy: -169.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1879.845228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.845228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.845228 (E_RNA)
where:
Base-Base interactions energy: -1280.115
where: short stacking energy: -552.400
Base-Backbone interact. energy: 2.319
local terms energy: -602.048865
where:
bonds (distance) C4'-P energy: -107.795
bonds (distance) P-C4' energy: -115.095
flat angles C4'-P-C4' energy: -124.731
flat angles P-C4'-P energy: -87.142
tors. eta vs tors. theta energy: -167.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1760.293785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.293785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.293785 (E_RNA)
where:
Base-Base interactions energy: -1216.970
where: short stacking energy: -521.496
Base-Backbone interact. energy: -3.627
local terms energy: -539.696279
where:
bonds (distance) C4'-P energy: -102.948
bonds (distance) P-C4' energy: -86.794
flat angles C4'-P-C4' energy: -128.374
flat angles P-C4'-P energy: -67.340
tors. eta vs tors. theta energy: -154.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1637.383208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.383208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.383208 (E_RNA)
where:
Base-Base interactions energy: -1104.309
where: short stacking energy: -490.902
Base-Backbone interact. energy: 0.233
local terms energy: -533.307035
where:
bonds (distance) C4'-P energy: -104.150
bonds (distance) P-C4' energy: -101.543
flat angles C4'-P-C4' energy: -110.322
flat angles P-C4'-P energy: -83.373
tors. eta vs tors. theta energy: -133.919
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: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1648.545812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.545812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.545812 (E_RNA)
where:
Base-Base interactions energy: -1107.111
where: short stacking energy: -496.942
Base-Backbone interact. energy: -2.080
local terms energy: -539.355198
where:
bonds (distance) C4'-P energy: -115.732
bonds (distance) P-C4' energy: -88.450
flat angles C4'-P-C4' energy: -107.789
flat angles P-C4'-P energy: -85.688
tors. eta vs tors. theta energy: -141.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1502.736067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.736067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.736067 (E_RNA)
where:
Base-Base interactions energy: -1022.347
where: short stacking energy: -420.754
Base-Backbone interact. energy: -1.304
local terms energy: -479.084568
where:
bonds (distance) C4'-P energy: -98.360
bonds (distance) P-C4' energy: -86.424
flat angles C4'-P-C4' energy: -102.081
flat angles P-C4'-P energy: -75.668
tors. eta vs tors. theta energy: -116.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1422.670757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.670757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.670757 (E_RNA)
where:
Base-Base interactions energy: -974.142
where: short stacking energy: -405.223
Base-Backbone interact. energy: -2.838
local terms energy: -445.691245
where:
bonds (distance) C4'-P energy: -87.420
bonds (distance) P-C4' energy: -84.655
flat angles C4'-P-C4' energy: -113.884
flat angles P-C4'-P energy: -70.415
tors. eta vs tors. theta energy: -89.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1209.885074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.885074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.885074 (E_RNA)
where:
Base-Base interactions energy: -819.304
where: short stacking energy: -356.690
Base-Backbone interact. energy: 1.365
local terms energy: -391.946192
where:
bonds (distance) C4'-P energy: -88.398
bonds (distance) P-C4' energy: -93.807
flat angles C4'-P-C4' energy: -97.294
flat angles P-C4'-P energy: -39.642
tors. eta vs tors. theta energy: -72.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -822.830824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.830824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.830824 (E_RNA)
where:
Base-Base interactions energy: -504.946
where: short stacking energy: -225.050
Base-Backbone interact. energy: -0.879
local terms energy: -317.006564
where:
bonds (distance) C4'-P energy: -94.164
bonds (distance) P-C4' energy: -100.507
flat angles C4'-P-C4' energy: -67.886
flat angles P-C4'-P energy: -37.700
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -493.424152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.424152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.424152 (E_RNA)
where:
Base-Base interactions energy: -186.971
where: short stacking energy: -123.744
Base-Backbone interact. energy: 4.689
local terms energy: -311.142340
where:
bonds (distance) C4'-P energy: -87.689
bonds (distance) P-C4' energy: -85.207
flat angles C4'-P-C4' energy: -82.356
flat angles P-C4'-P energy: -55.555
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1971.638943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.638943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.638943 (E_RNA)
where:
Base-Base interactions energy: -1388.204
where: short stacking energy: -587.729
Base-Backbone interact. energy: -1.047
local terms energy: -582.387543
where:
bonds (distance) C4'-P energy: -95.032
bonds (distance) P-C4' energy: -109.686
flat angles C4'-P-C4' energy: -125.851
flat angles P-C4'-P energy: -81.265
tors. eta vs tors. theta energy: -170.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1867.612788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.612788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.612788 (E_RNA)
where:
Base-Base interactions energy: -1273.224
where: short stacking energy: -562.620
Base-Backbone interact. energy: -3.650
local terms energy: -590.739027
where:
bonds (distance) C4'-P energy: -115.125
bonds (distance) P-C4' energy: -111.048
flat angles C4'-P-C4' energy: -122.672
flat angles P-C4'-P energy: -79.960
tors. eta vs tors. theta energy: -161.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1770.600445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.600445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.600445 (E_RNA)
where:
Base-Base interactions energy: -1228.069
where: short stacking energy: -520.096
Base-Backbone interact. energy: -0.996
local terms energy: -541.535673
where:
bonds (distance) C4'-P energy: -97.367
bonds (distance) P-C4' energy: -101.994
flat angles C4'-P-C4' energy: -108.534
flat angles P-C4'-P energy: -83.309
tors. eta vs tors. theta energy: -150.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1625.312739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.312739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.312739 (E_RNA)
where:
Base-Base interactions energy: -1109.781
where: short stacking energy: -464.212
Base-Backbone interact. energy: -3.539
local terms energy: -511.992475
where:
bonds (distance) C4'-P energy: -88.518
bonds (distance) P-C4' energy: -105.544
flat angles C4'-P-C4' energy: -104.768
flat angles P-C4'-P energy: -75.735
tors. eta vs tors. theta energy: -137.428
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: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1648.427523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.427523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.427523 (E_RNA)
where:
Base-Base interactions energy: -1103.963
where: short stacking energy: -469.693
Base-Backbone interact. energy: -3.405
local terms energy: -541.059732
where:
bonds (distance) C4'-P energy: -113.489
bonds (distance) P-C4' energy: -99.853
flat angles C4'-P-C4' energy: -114.170
flat angles P-C4'-P energy: -70.320
tors. eta vs tors. theta energy: -143.228
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: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1539.350575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.350575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.350575 (E_RNA)
where:
Base-Base interactions energy: -1031.162
where: short stacking energy: -468.994
Base-Backbone interact. energy: -1.394
local terms energy: -506.794869
where:
bonds (distance) C4'-P energy: -100.334
bonds (distance) P-C4' energy: -96.198
flat angles C4'-P-C4' energy: -107.805
flat angles P-C4'-P energy: -69.944
tors. eta vs tors. theta energy: -132.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1478.424865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.424865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.424865 (E_RNA)
where:
Base-Base interactions energy: -1002.620
where: short stacking energy: -431.765
Base-Backbone interact. energy: -1.320
local terms energy: -474.484581
where:
bonds (distance) C4'-P energy: -108.680
bonds (distance) P-C4' energy: -88.438
flat angles C4'-P-C4' energy: -101.360
flat angles P-C4'-P energy: -77.605
tors. eta vs tors. theta energy: -98.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1144.635905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.635905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.635905 (E_RNA)
where:
Base-Base interactions energy: -757.356
where: short stacking energy: -334.929
Base-Backbone interact. energy: -0.479
local terms energy: -386.801246
where:
bonds (distance) C4'-P energy: -78.839
bonds (distance) P-C4' energy: -89.376
flat angles C4'-P-C4' energy: -94.161
flat angles P-C4'-P energy: -51.164
tors. eta vs tors. theta energy: -73.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -814.766590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.766590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.766590 (E_RNA)
where:
Base-Base interactions energy: -494.783
where: short stacking energy: -246.411
Base-Backbone interact. energy: 1.562
local terms energy: -321.546178
where:
bonds (distance) C4'-P energy: -89.186
bonds (distance) P-C4' energy: -94.408
flat angles C4'-P-C4' energy: -75.542
flat angles P-C4'-P energy: -38.671
tors. eta vs tors. theta energy: -23.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -511.228651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.228651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.228651 (E_RNA)
where:
Base-Base interactions energy: -212.364
where: short stacking energy: -148.579
Base-Backbone interact. energy: 11.339
local terms energy: -310.204198
where:
bonds (distance) C4'-P energy: -73.635
bonds (distance) P-C4' energy: -97.305
flat angles C4'-P-C4' energy: -82.490
flat angles P-C4'-P energy: -59.164
tors. eta vs tors. theta energy: 2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1995.617912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.617912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.617912 (E_RNA)
where:
Base-Base interactions energy: -1385.034
where: short stacking energy: -610.716
Base-Backbone interact. energy: -0.352
local terms energy: -610.231764
where:
bonds (distance) C4'-P energy: -115.129
bonds (distance) P-C4' energy: -112.910
flat angles C4'-P-C4' energy: -116.944
flat angles P-C4'-P energy: -86.781
tors. eta vs tors. theta energy: -178.467
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: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1846.554736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.554736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.554736 (E_RNA)
where:
Base-Base interactions energy: -1258.793
where: short stacking energy: -556.332
Base-Backbone interact. energy: -4.202
local terms energy: -583.559807
where:
bonds (distance) C4'-P energy: -117.460
bonds (distance) P-C4' energy: -99.217
flat angles C4'-P-C4' energy: -121.435
flat angles P-C4'-P energy: -88.536
tors. eta vs tors. theta energy: -156.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1803.422384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.422384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.422384 (E_RNA)
where:
Base-Base interactions energy: -1233.526
where: short stacking energy: -523.844
Base-Backbone interact. energy: -1.743
local terms energy: -568.153859
where:
bonds (distance) C4'-P energy: -104.341
bonds (distance) P-C4' energy: -107.844
flat angles C4'-P-C4' energy: -112.633
flat angles P-C4'-P energy: -81.371
tors. eta vs tors. theta energy: -161.965
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: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1612.798656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.798656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.798656 (E_RNA)
where:
Base-Base interactions energy: -1084.560
where: short stacking energy: -493.154
Base-Backbone interact. energy: -1.529
local terms energy: -526.709632
where:
bonds (distance) C4'-P energy: -101.432
bonds (distance) P-C4' energy: -100.852
flat angles C4'-P-C4' energy: -113.217
flat angles P-C4'-P energy: -77.455
tors. eta vs tors. theta energy: -133.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1660.515585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.515585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.515585 (E_RNA)
where:
Base-Base interactions energy: -1130.271
where: short stacking energy: -478.154
Base-Backbone interact. energy: -0.061
local terms energy: -530.183639
where:
bonds (distance) C4'-P energy: -100.871
bonds (distance) P-C4' energy: -107.670
flat angles C4'-P-C4' energy: -105.191
flat angles P-C4'-P energy: -72.023
tors. eta vs tors. theta energy: -144.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1521.735206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.735206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.735206 (E_RNA)
where:
Base-Base interactions energy: -1046.244
where: short stacking energy: -469.742
Base-Backbone interact. energy: -3.028
local terms energy: -472.463202
where:
bonds (distance) C4'-P energy: -84.845
bonds (distance) P-C4' energy: -102.196
flat angles C4'-P-C4' energy: -99.246
flat angles P-C4'-P energy: -72.672
tors. eta vs tors. theta energy: -113.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1446.730826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.730826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.730826 (E_RNA)
where:
Base-Base interactions energy: -985.857
where: short stacking energy: -423.739
Base-Backbone interact. energy: 0.898
local terms energy: -461.772049
where:
bonds (distance) C4'-P energy: -92.795
bonds (distance) P-C4' energy: -93.019
flat angles C4'-P-C4' energy: -103.850
flat angles P-C4'-P energy: -69.023
tors. eta vs tors. theta energy: -103.085
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: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1151.001177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.001177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.001177 (E_RNA)
where:
Base-Base interactions energy: -748.879
where: short stacking energy: -320.212
Base-Backbone interact. energy: -0.433
local terms energy: -401.689749
where:
bonds (distance) C4'-P energy: -89.635
bonds (distance) P-C4' energy: -81.247
flat angles C4'-P-C4' energy: -105.967
flat angles P-C4'-P energy: -62.729
tors. eta vs tors. theta energy: -62.111
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: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -829.219211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.219211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.219211 (E_RNA)
where:
Base-Base interactions energy: -489.640
where: short stacking energy: -244.418
Base-Backbone interact. energy: 0.025
local terms energy: -339.604368
where:
bonds (distance) C4'-P energy: -85.587
bonds (distance) P-C4' energy: -107.729
flat angles C4'-P-C4' energy: -72.309
flat angles P-C4'-P energy: -56.430
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -428.733653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.733653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.733653 (E_RNA)
where:
Base-Base interactions energy: -130.763
where: short stacking energy: -118.547
Base-Backbone interact. energy: -0.857
local terms energy: -297.114354
where:
bonds (distance) C4'-P energy: -77.047
bonds (distance) P-C4' energy: -87.558
flat angles C4'-P-C4' energy: -91.171
flat angles P-C4'-P energy: -52.765
tors. eta vs tors. theta energy: 11.427
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: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1961.573790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.573790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.573790 (E_RNA)
where:
Base-Base interactions energy: -1361.171
where: short stacking energy: -568.112
Base-Backbone interact. energy: -4.028
local terms energy: -596.374074
where:
bonds (distance) C4'-P energy: -106.894
bonds (distance) P-C4' energy: -98.786
flat angles C4'-P-C4' energy: -136.168
flat angles P-C4'-P energy: -83.789
tors. eta vs tors. theta energy: -170.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1825.241583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.241583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.241583 (E_RNA)
where:
Base-Base interactions energy: -1261.291
where: short stacking energy: -551.225
Base-Backbone interact. energy: -1.903
local terms energy: -562.047678
where:
bonds (distance) C4'-P energy: -118.487
bonds (distance) P-C4' energy: -100.072
flat angles C4'-P-C4' energy: -110.830
flat angles P-C4'-P energy: -76.160
tors. eta vs tors. theta energy: -156.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1791.424424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.424424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.424424 (E_RNA)
where:
Base-Base interactions energy: -1241.409
where: short stacking energy: -538.308
Base-Backbone interact. energy: -1.834
local terms energy: -548.181169
where:
bonds (distance) C4'-P energy: -93.753
bonds (distance) P-C4' energy: -106.878
flat angles C4'-P-C4' energy: -115.617
flat angles P-C4'-P energy: -71.913
tors. eta vs tors. theta energy: -160.021
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: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1610.907593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.907593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.907593 (E_RNA)
where:
Base-Base interactions energy: -1090.636
where: short stacking energy: -474.137
Base-Backbone interact. energy: -0.792
local terms energy: -519.479641
where:
bonds (distance) C4'-P energy: -93.092
bonds (distance) P-C4' energy: -92.272
flat angles C4'-P-C4' energy: -112.658
flat angles P-C4'-P energy: -82.366
tors. eta vs tors. theta energy: -139.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1623.984360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.984360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.984360 (E_RNA)
where:
Base-Base interactions energy: -1130.800
where: short stacking energy: -472.539
Base-Backbone interact. energy: 3.213
local terms energy: -496.397762
where:
bonds (distance) C4'-P energy: -88.438
bonds (distance) P-C4' energy: -97.244
flat angles C4'-P-C4' energy: -120.110
flat angles P-C4'-P energy: -66.789
tors. eta vs tors. theta energy: -123.817
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: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1499.470834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.470834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.470834 (E_RNA)
where:
Base-Base interactions energy: -1035.070
where: short stacking energy: -439.255
Base-Backbone interact. energy: 0.127
local terms energy: -464.527336
where:
bonds (distance) C4'-P energy: -82.689
bonds (distance) P-C4' energy: -85.346
flat angles C4'-P-C4' energy: -105.707
flat angles P-C4'-P energy: -70.059
tors. eta vs tors. theta energy: -120.726
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: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1444.728931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.728931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.728931 (E_RNA)
where:
Base-Base interactions energy: -972.449
where: short stacking energy: -426.815
Base-Backbone interact. energy: 0.680
local terms energy: -472.959274
where:
bonds (distance) C4'-P energy: -113.065
bonds (distance) P-C4' energy: -90.930
flat angles C4'-P-C4' energy: -111.955
flat angles P-C4'-P energy: -49.339
tors. eta vs tors. theta energy: -107.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1159.017712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.017712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.017712 (E_RNA)
where:
Base-Base interactions energy: -750.539
where: short stacking energy: -342.136
Base-Backbone interact. energy: 3.640
local terms energy: -412.118916
where:
bonds (distance) C4'-P energy: -96.344
bonds (distance) P-C4' energy: -88.361
flat angles C4'-P-C4' energy: -99.663
flat angles P-C4'-P energy: -60.658
tors. eta vs tors. theta energy: -67.092
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: 408
Temperature: 1.300000
Total energy: -884.462457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.462457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.462457 (E_RNA)
where:
Base-Base interactions energy: -514.952
where: short stacking energy: -268.435
Base-Backbone interact. energy: -1.019
local terms energy: -368.491320
where:
bonds (distance) C4'-P energy: -81.616
bonds (distance) P-C4' energy: -92.075
flat angles C4'-P-C4' energy: -88.824
flat angles P-C4'-P energy: -64.909
tors. eta vs tors. theta energy: -41.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -435.930759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.930759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.930759 (E_RNA)
where:
Base-Base interactions energy: -195.290
where: short stacking energy: -142.284
Base-Backbone interact. energy: 0.633
local terms energy: -241.274340
where:
bonds (distance) C4'-P energy: -66.943
bonds (distance) P-C4' energy: -86.555
flat angles C4'-P-C4' energy: -65.203
flat angles P-C4'-P energy: -41.852
tors. eta vs tors. theta energy: 19.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1936.120795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.120795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.120795 (E_RNA)
where:
Base-Base interactions energy: -1334.034
where: short stacking energy: -581.415
Base-Backbone interact. energy: -1.741
local terms energy: -600.345851
where:
bonds (distance) C4'-P energy: -111.979
bonds (distance) P-C4' energy: -112.840
flat angles C4'-P-C4' energy: -130.376
flat angles P-C4'-P energy: -73.285
tors. eta vs tors. theta energy: -171.866
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: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1846.303908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.303908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.303908 (E_RNA)
where:
Base-Base interactions energy: -1267.183
where: short stacking energy: -547.582
Base-Backbone interact. energy: 2.042
local terms energy: -581.162514
where:
bonds (distance) C4'-P energy: -103.875
bonds (distance) P-C4' energy: -113.536
flat angles C4'-P-C4' energy: -124.738
flat angles P-C4'-P energy: -81.822
tors. eta vs tors. theta energy: -157.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1767.515839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.515839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.515839 (E_RNA)
where:
Base-Base interactions energy: -1215.306
where: short stacking energy: -524.993
Base-Backbone interact. energy: -2.085
local terms energy: -550.124563
where:
bonds (distance) C4'-P energy: -94.930
bonds (distance) P-C4' energy: -105.479
flat angles C4'-P-C4' energy: -115.568
flat angles P-C4'-P energy: -80.204
tors. eta vs tors. theta energy: -153.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1670.337775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.337775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.337775 (E_RNA)
where:
Base-Base interactions energy: -1137.699
where: short stacking energy: -482.744
Base-Backbone interact. energy: -1.493
local terms energy: -531.145148
where:
bonds (distance) C4'-P energy: -101.218
bonds (distance) P-C4' energy: -105.512
flat angles C4'-P-C4' energy: -112.806
flat angles P-C4'-P energy: -79.917
tors. eta vs tors. theta energy: -131.692
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: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1593.014919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.014919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.014919 (E_RNA)
where:
Base-Base interactions energy: -1113.584
where: short stacking energy: -468.348
Base-Backbone interact. energy: 0.769
local terms energy: -480.200332
where:
bonds (distance) C4'-P energy: -97.083
bonds (distance) P-C4' energy: -89.236
flat angles C4'-P-C4' energy: -106.526
flat angles P-C4'-P energy: -73.454
tors. eta vs tors. theta energy: -113.901
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: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1526.025348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.025348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.025348 (E_RNA)
where:
Base-Base interactions energy: -1020.264
where: short stacking energy: -455.571
Base-Backbone interact. energy: -2.653
local terms energy: -503.108233
where:
bonds (distance) C4'-P energy: -96.821
bonds (distance) P-C4' energy: -95.319
flat angles C4'-P-C4' energy: -113.943
flat angles P-C4'-P energy: -67.235
tors. eta vs tors. theta energy: -129.790
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: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1429.973097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.973097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.973097 (E_RNA)
where:
Base-Base interactions energy: -970.190
where: short stacking energy: -391.349
Base-Backbone interact. energy: 0.525
local terms energy: -460.307482
where:
bonds (distance) C4'-P energy: -88.074
bonds (distance) P-C4' energy: -108.201
flat angles C4'-P-C4' energy: -96.824
flat angles P-C4'-P energy: -64.281
tors. eta vs tors. theta energy: -102.927
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: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1132.295920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.295920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.295920 (E_RNA)
where:
Base-Base interactions energy: -732.819
where: short stacking energy: -335.930
Base-Backbone interact. energy: -0.668
local terms energy: -398.808322
where:
bonds (distance) C4'-P energy: -98.991
bonds (distance) P-C4' energy: -86.464
flat angles C4'-P-C4' energy: -93.196
flat angles P-C4'-P energy: -56.612
tors. eta vs tors. theta energy: -63.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -803.888086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.888086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.888086 (E_RNA)
where:
Base-Base interactions energy: -477.161
where: short stacking energy: -228.126
Base-Backbone interact. energy: 4.365
local terms energy: -331.092643
where:
bonds (distance) C4'-P energy: -78.028
bonds (distance) P-C4' energy: -99.797
flat angles C4'-P-C4' energy: -67.293
flat angles P-C4'-P energy: -57.903
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: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -427.780368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.780368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.780368 (E_RNA)
where:
Base-Base interactions energy: -184.016
where: short stacking energy: -129.120
Base-Backbone interact. energy: 18.322
local terms energy: -262.086252
where:
bonds (distance) C4'-P energy: -82.462
bonds (distance) P-C4' energy: -83.755
flat angles C4'-P-C4' energy: -67.767
flat angles P-C4'-P energy: -49.833
tors. eta vs tors. theta energy: 21.730
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: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1951.822440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.822440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.822440 (E_RNA)
where:
Base-Base interactions energy: -1356.509
where: short stacking energy: -572.835
Base-Backbone interact. energy: -2.701
local terms energy: -592.611922
where:
bonds (distance) C4'-P energy: -104.132
bonds (distance) P-C4' energy: -118.995
flat angles C4'-P-C4' energy: -117.697
flat angles P-C4'-P energy: -83.997
tors. eta vs tors. theta energy: -167.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1862.260779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.260779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.260779 (E_RNA)
where:
Base-Base interactions energy: -1286.547
where: short stacking energy: -562.908
Base-Backbone interact. energy: -1.679
local terms energy: -574.034167
where:
bonds (distance) C4'-P energy: -105.243
bonds (distance) P-C4' energy: -113.236
flat angles C4'-P-C4' energy: -118.005
flat angles P-C4'-P energy: -74.499
tors. eta vs tors. theta energy: -163.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1729.894750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.894750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.894750 (E_RNA)
where:
Base-Base interactions energy: -1195.940
where: short stacking energy: -516.688
Base-Backbone interact. energy: -1.678
local terms energy: -532.276839
where:
bonds (distance) C4'-P energy: -102.003
bonds (distance) P-C4' energy: -100.689
flat angles C4'-P-C4' energy: -107.750
flat angles P-C4'-P energy: -65.988
tors. eta vs tors. theta energy: -155.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1719.254831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.254831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.254831 (E_RNA)
where:
Base-Base interactions energy: -1151.384
where: short stacking energy: -520.088
Base-Backbone interact. energy: -2.933
local terms energy: -564.938391
where:
bonds (distance) C4'-P energy: -112.356
bonds (distance) P-C4' energy: -105.161
flat angles C4'-P-C4' energy: -117.534
flat angles P-C4'-P energy: -80.092
tors. eta vs tors. theta energy: -149.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1591.905505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.905505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.905505 (E_RNA)
where:
Base-Base interactions energy: -1072.384
where: short stacking energy: -451.995
Base-Backbone interact. energy: 0.436
local terms energy: -519.957107
where:
bonds (distance) C4'-P energy: -95.294
bonds (distance) P-C4' energy: -102.059
flat angles C4'-P-C4' energy: -116.566
flat angles P-C4'-P energy: -75.235
tors. eta vs tors. theta energy: -130.803
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: 410
Temperature: 1.150000
Total energy: -1476.412046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.412046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.412046 (E_RNA)
where:
Base-Base interactions energy: -990.106
where: short stacking energy: -431.634
Base-Backbone interact. energy: -2.294
local terms energy: -484.011933
where:
bonds (distance) C4'-P energy: -84.548
bonds (distance) P-C4' energy: -103.991
flat angles C4'-P-C4' energy: -101.087
flat angles P-C4'-P energy: -72.554
tors. eta vs tors. theta energy: -121.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1427.250345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.250345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.250345 (E_RNA)
where:
Base-Base interactions energy: -955.921
where: short stacking energy: -412.096
Base-Backbone interact. energy: 0.215
local terms energy: -471.544910
where:
bonds (distance) C4'-P energy: -92.105
bonds (distance) P-C4' energy: -99.400
flat angles C4'-P-C4' energy: -99.835
flat angles P-C4'-P energy: -63.613
tors. eta vs tors. theta energy: -116.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1252.959333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.959333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.959333 (E_RNA)
where:
Base-Base interactions energy: -831.416
where: short stacking energy: -358.148
Base-Backbone interact. energy: 5.597
local terms energy: -427.140845
where:
bonds (distance) C4'-P energy: -88.654
bonds (distance) P-C4' energy: -108.069
flat angles C4'-P-C4' energy: -96.421
flat angles P-C4'-P energy: -59.772
tors. eta vs tors. theta energy: -74.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -808.843439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.843439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.843439 (E_RNA)
where:
Base-Base interactions energy: -465.774
where: short stacking energy: -241.677
Base-Backbone interact. energy: -1.800
local terms energy: -341.269746
where:
bonds (distance) C4'-P energy: -94.699
bonds (distance) P-C4' energy: -85.677
flat angles C4'-P-C4' energy: -75.444
flat angles P-C4'-P energy: -57.452
tors. eta vs tors. theta energy: -27.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -422.051240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.051240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.051240 (E_RNA)
where:
Base-Base interactions energy: -144.168
where: short stacking energy: -103.046
Base-Backbone interact. energy: 2.390
local terms energy: -280.273342
where:
bonds (distance) C4'-P energy: -91.655
bonds (distance) P-C4' energy: -92.083
flat angles C4'-P-C4' energy: -66.321
flat angles P-C4'-P energy: -55.077
tors. eta vs tors. theta energy: 24.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1949.832524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.832524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.832524 (E_RNA)
where:
Base-Base interactions energy: -1364.139
where: short stacking energy: -580.198
Base-Backbone interact. energy: -1.311
local terms energy: -584.381809
where:
bonds (distance) C4'-P energy: -114.199
bonds (distance) P-C4' energy: -105.040
flat angles C4'-P-C4' energy: -121.081
flat angles P-C4'-P energy: -73.892
tors. eta vs tors. theta energy: -170.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1839.502477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.502477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.502477 (E_RNA)
where:
Base-Base interactions energy: -1273.778
where: short stacking energy: -549.601
Base-Backbone interact. energy: -2.991
local terms energy: -562.733918
where:
bonds (distance) C4'-P energy: -104.379
bonds (distance) P-C4' energy: -108.363
flat angles C4'-P-C4' energy: -117.398
flat angles P-C4'-P energy: -72.832
tors. eta vs tors. theta energy: -159.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1748.203804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.203804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.203804 (E_RNA)
where:
Base-Base interactions energy: -1184.938
where: short stacking energy: -503.399
Base-Backbone interact. energy: -2.825
local terms energy: -560.440937
where:
bonds (distance) C4'-P energy: -108.685
bonds (distance) P-C4' energy: -105.918
flat angles C4'-P-C4' energy: -120.959
flat angles P-C4'-P energy: -78.468
tors. eta vs tors. theta energy: -146.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1719.326999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.326999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.326999 (E_RNA)
where:
Base-Base interactions energy: -1187.080
where: short stacking energy: -515.621
Base-Backbone interact. energy: -2.586
local terms energy: -529.661423
where:
bonds (distance) C4'-P energy: -98.774
bonds (distance) P-C4' energy: -95.676
flat angles C4'-P-C4' energy: -113.343
flat angles P-C4'-P energy: -73.241
tors. eta vs tors. theta energy: -148.628
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: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1606.989472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.989472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.989472 (E_RNA)
where:
Base-Base interactions energy: -1068.394
where: short stacking energy: -486.637
Base-Backbone interact. energy: -3.707
local terms energy: -534.889034
where:
bonds (distance) C4'-P energy: -104.302
bonds (distance) P-C4' energy: -99.795
flat angles C4'-P-C4' energy: -116.243
flat angles P-C4'-P energy: -72.534
tors. eta vs tors. theta energy: -142.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1505.203060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.203060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.203060 (E_RNA)
where:
Base-Base interactions energy: -1010.163
where: short stacking energy: -431.840
Base-Backbone interact. energy: 1.610
local terms energy: -496.649957
where:
bonds (distance) C4'-P energy: -98.065
bonds (distance) P-C4' energy: -107.918
flat angles C4'-P-C4' energy: -107.028
flat angles P-C4'-P energy: -62.323
tors. eta vs tors. theta energy: -121.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1399.594161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.594161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.594161 (E_RNA)
where:
Base-Base interactions energy: -950.442
where: short stacking energy: -420.286
Base-Backbone interact. energy: -1.839
local terms energy: -447.314028
where:
bonds (distance) C4'-P energy: -77.354
bonds (distance) P-C4' energy: -91.153
flat angles C4'-P-C4' energy: -99.644
flat angles P-C4'-P energy: -61.724
tors. eta vs tors. theta energy: -117.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1271.471726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.471726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.471726 (E_RNA)
where:
Base-Base interactions energy: -842.632
where: short stacking energy: -361.118
Base-Backbone interact. energy: -2.236
local terms energy: -426.603948
where:
bonds (distance) C4'-P energy: -97.852
bonds (distance) P-C4' energy: -103.284
flat angles C4'-P-C4' energy: -92.058
flat angles P-C4'-P energy: -50.264
tors. eta vs tors. theta energy: -83.146
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: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -823.338546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.338546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.338546 (E_RNA)
where:
Base-Base interactions energy: -502.105
where: short stacking energy: -250.598
Base-Backbone interact. energy: -0.954
local terms energy: -320.279493
where:
bonds (distance) C4'-P energy: -87.540
bonds (distance) P-C4' energy: -82.151
flat angles C4'-P-C4' energy: -76.055
flat angles P-C4'-P energy: -36.910
tors. eta vs tors. theta energy: -37.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -463.062153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.062153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.062153 (E_RNA)
where:
Base-Base interactions energy: -210.563
where: short stacking energy: -154.262
Base-Backbone interact. energy: -0.209
local terms energy: -252.290155
where:
bonds (distance) C4'-P energy: -69.761
bonds (distance) P-C4' energy: -80.651
flat angles C4'-P-C4' energy: -75.203
flat angles P-C4'-P energy: -29.966
tors. eta vs tors. theta energy: 3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1932.662636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.662636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.662636 (E_RNA)
where:
Base-Base interactions energy: -1313.031
where: short stacking energy: -571.587
Base-Backbone interact. energy: -2.113
local terms energy: -617.518489
where:
bonds (distance) C4'-P energy: -118.155
bonds (distance) P-C4' energy: -115.023
flat angles C4'-P-C4' energy: -126.052
flat angles P-C4'-P energy: -79.366
tors. eta vs tors. theta energy: -178.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1836.550955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.550955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.550955 (E_RNA)
where:
Base-Base interactions energy: -1266.212
where: short stacking energy: -545.941
Base-Backbone interact. energy: -2.552
local terms energy: -567.786737
where:
bonds (distance) C4'-P energy: -102.722
bonds (distance) P-C4' energy: -110.766
flat angles C4'-P-C4' energy: -119.136
flat angles P-C4'-P energy: -75.208
tors. eta vs tors. theta energy: -159.955
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: 412
Temperature: 1.000000
Total energy: -1732.916018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.916018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.916018 (E_RNA)
where:
Base-Base interactions energy: -1163.195
where: short stacking energy: -514.396
Base-Backbone interact. energy: -1.839
local terms energy: -567.882201
where:
bonds (distance) C4'-P energy: -99.869
bonds (distance) P-C4' energy: -110.414
flat angles C4'-P-C4' energy: -122.210
flat angles P-C4'-P energy: -77.837
tors. eta vs tors. theta energy: -157.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1733.001525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.001525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.001525 (E_RNA)
where:
Base-Base interactions energy: -1179.880
where: short stacking energy: -496.998
Base-Backbone interact. energy: -3.480
local terms energy: -549.641738
where:
bonds (distance) C4'-P energy: -108.068
bonds (distance) P-C4' energy: -109.979
flat angles C4'-P-C4' energy: -111.263
flat angles P-C4'-P energy: -72.455
tors. eta vs tors. theta energy: -147.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1577.819785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.819785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.819785 (E_RNA)
where:
Base-Base interactions energy: -1066.218
where: short stacking energy: -473.957
Base-Backbone interact. energy: 0.368
local terms energy: -511.970189
where:
bonds (distance) C4'-P energy: -89.026
bonds (distance) P-C4' energy: -95.155
flat angles C4'-P-C4' energy: -100.348
flat angles P-C4'-P energy: -74.207
tors. eta vs tors. theta energy: -153.235
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: 412
Temperature: 1.150000
Total energy: -1496.086301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.086301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.086301 (E_RNA)
where:
Base-Base interactions energy: -1016.483
where: short stacking energy: -437.502
Base-Backbone interact. energy: -2.244
local terms energy: -477.359626
where:
bonds (distance) C4'-P energy: -93.296
bonds (distance) P-C4' energy: -88.028
flat angles C4'-P-C4' energy: -114.249
flat angles P-C4'-P energy: -65.194
tors. eta vs tors. theta energy: -116.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1461.468053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.468053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.468053 (E_RNA)
where:
Base-Base interactions energy: -984.912
where: short stacking energy: -419.381
Base-Backbone interact. energy: -1.184
local terms energy: -475.372185
where:
bonds (distance) C4'-P energy: -89.706
bonds (distance) P-C4' energy: -92.625
flat angles C4'-P-C4' energy: -101.141
flat angles P-C4'-P energy: -64.494
tors. eta vs tors. theta energy: -127.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1265.850569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.850569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.850569 (E_RNA)
where:
Base-Base interactions energy: -857.383
where: short stacking energy: -349.874
Base-Backbone interact. energy: 0.759
local terms energy: -409.226544
where:
bonds (distance) C4'-P energy: -83.965
bonds (distance) P-C4' energy: -93.603
flat angles C4'-P-C4' energy: -91.107
flat angles P-C4'-P energy: -53.684
tors. eta vs tors. theta energy: -86.867
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: 412
Temperature: 1.300000
Total energy: -857.137523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.137523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.137523 (E_RNA)
where:
Base-Base interactions energy: -469.577
where: short stacking energy: -239.345
Base-Backbone interact. energy: -1.021
local terms energy: -386.539869
where:
bonds (distance) C4'-P energy: -98.671
bonds (distance) P-C4' energy: -94.692
flat angles C4'-P-C4' energy: -72.865
flat angles P-C4'-P energy: -73.288
tors. eta vs tors. theta energy: -47.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -439.043665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.043665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.043665 (E_RNA)
where:
Base-Base interactions energy: -161.754
where: short stacking energy: -119.878
Base-Backbone interact. energy: -0.967
local terms energy: -276.322449
where:
bonds (distance) C4'-P energy: -81.276
bonds (distance) P-C4' energy: -103.534
flat angles C4'-P-C4' energy: -62.094
flat angles P-C4'-P energy: -46.000
tors. eta vs tors. theta energy: 16.581
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: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1922.581508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.581508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.581508 (E_RNA)
where:
Base-Base interactions energy: -1338.805
where: short stacking energy: -581.220
Base-Backbone interact. energy: -3.345
local terms energy: -580.431494
where:
bonds (distance) C4'-P energy: -99.713
bonds (distance) P-C4' energy: -102.562
flat angles C4'-P-C4' energy: -121.550
flat angles P-C4'-P energy: -83.790
tors. eta vs tors. theta energy: -172.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1827.907618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.907618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.907618 (E_RNA)
where:
Base-Base interactions energy: -1252.789
where: short stacking energy: -547.739
Base-Backbone interact. energy: -1.233
local terms energy: -573.885321
where:
bonds (distance) C4'-P energy: -102.413
bonds (distance) P-C4' energy: -100.292
flat angles C4'-P-C4' energy: -122.024
flat angles P-C4'-P energy: -87.817
tors. eta vs tors. theta energy: -161.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1747.219609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.219609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.219609 (E_RNA)
where:
Base-Base interactions energy: -1207.836
where: short stacking energy: -500.732
Base-Backbone interact. energy: -1.987
local terms energy: -537.397445
where:
bonds (distance) C4'-P energy: -89.345
bonds (distance) P-C4' energy: -101.470
flat angles C4'-P-C4' energy: -115.042
flat angles P-C4'-P energy: -78.724
tors. eta vs tors. theta energy: -152.816
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: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1708.263956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.263956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.263956 (E_RNA)
where:
Base-Base interactions energy: -1163.478
where: short stacking energy: -525.624
Base-Backbone interact. energy: -3.701
local terms energy: -541.085730
where:
bonds (distance) C4'-P energy: -91.438
bonds (distance) P-C4' energy: -93.907
flat angles C4'-P-C4' energy: -116.120
flat angles P-C4'-P energy: -78.860
tors. eta vs tors. theta energy: -160.760
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: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1582.046254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.046254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.046254 (E_RNA)
where:
Base-Base interactions energy: -1069.168
where: short stacking energy: -449.472
Base-Backbone interact. energy: 2.067
local terms energy: -514.945149
where:
bonds (distance) C4'-P energy: -98.993
bonds (distance) P-C4' energy: -98.342
flat angles C4'-P-C4' energy: -122.547
flat angles P-C4'-P energy: -67.380
tors. eta vs tors. theta energy: -127.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1588.147510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.147510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.147510 (E_RNA)
where:
Base-Base interactions energy: -1102.974
where: short stacking energy: -469.530
Base-Backbone interact. energy: 1.266
local terms energy: -486.439589
where:
bonds (distance) C4'-P energy: -85.178
bonds (distance) P-C4' energy: -101.964
flat angles C4'-P-C4' energy: -105.662
flat angles P-C4'-P energy: -63.816
tors. eta vs tors. theta energy: -129.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1425.114772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.114772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.114772 (E_RNA)
where:
Base-Base interactions energy: -941.370
where: short stacking energy: -392.327
Base-Backbone interact. energy: -2.282
local terms energy: -481.463201
where:
bonds (distance) C4'-P energy: -88.455
bonds (distance) P-C4' energy: -112.930
flat angles C4'-P-C4' energy: -101.340
flat angles P-C4'-P energy: -81.177
tors. eta vs tors. theta energy: -97.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1231.253810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.253810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.253810 (E_RNA)
where:
Base-Base interactions energy: -851.895
where: short stacking energy: -375.057
Base-Backbone interact. energy: -1.739
local terms energy: -377.619046
where:
bonds (distance) C4'-P energy: -72.356
bonds (distance) P-C4' energy: -88.760
flat angles C4'-P-C4' energy: -90.215
flat angles P-C4'-P energy: -52.890
tors. eta vs tors. theta energy: -73.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -891.472653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.472653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.472653 (E_RNA)
where:
Base-Base interactions energy: -530.004
where: short stacking energy: -256.790
Base-Backbone interact. energy: -0.417
local terms energy: -361.051195
where:
bonds (distance) C4'-P energy: -95.365
bonds (distance) P-C4' energy: -88.088
flat angles C4'-P-C4' energy: -98.594
flat angles P-C4'-P energy: -41.053
tors. eta vs tors. theta energy: -37.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -480.706130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.706130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.706130 (E_RNA)
where:
Base-Base interactions energy: -205.163
where: short stacking energy: -134.963
Base-Backbone interact. energy: -1.421
local terms energy: -274.121881
where:
bonds (distance) C4'-P energy: -69.663
bonds (distance) P-C4' energy: -86.290
flat angles C4'-P-C4' energy: -76.130
flat angles P-C4'-P energy: -48.556
tors. eta vs tors. theta energy: 6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1922.998081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.998081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.998081 (E_RNA)
where:
Base-Base interactions energy: -1327.561
where: short stacking energy: -578.401
Base-Backbone interact. energy: -3.787
local terms energy: -591.649950
where:
bonds (distance) C4'-P energy: -111.217
bonds (distance) P-C4' energy: -102.987
flat angles C4'-P-C4' energy: -124.582
flat angles P-C4'-P energy: -87.605
tors. eta vs tors. theta energy: -165.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1803.396456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.396456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.396456 (E_RNA)
where:
Base-Base interactions energy: -1234.909
where: short stacking energy: -535.641
Base-Backbone interact. energy: -2.238
local terms energy: -566.249355
where:
bonds (distance) C4'-P energy: -99.353
bonds (distance) P-C4' energy: -113.704
flat angles C4'-P-C4' energy: -120.578
flat angles P-C4'-P energy: -75.618
tors. eta vs tors. theta energy: -156.997
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: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1757.683386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.683386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.683386 (E_RNA)
where:
Base-Base interactions energy: -1215.350
where: short stacking energy: -518.677
Base-Backbone interact. energy: -0.420
local terms energy: -541.913898
where:
bonds (distance) C4'-P energy: -95.388
bonds (distance) P-C4' energy: -106.539
flat angles C4'-P-C4' energy: -107.542
flat angles P-C4'-P energy: -71.891
tors. eta vs tors. theta energy: -160.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1712.198397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.198397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.198397 (E_RNA)
where:
Base-Base interactions energy: -1172.617
where: short stacking energy: -497.226
Base-Backbone interact. energy: -3.277
local terms energy: -536.304694
where:
bonds (distance) C4'-P energy: -92.466
bonds (distance) P-C4' energy: -113.635
flat angles C4'-P-C4' energy: -113.555
flat angles P-C4'-P energy: -66.966
tors. eta vs tors. theta energy: -149.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1594.895596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.895596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.895596 (E_RNA)
where:
Base-Base interactions energy: -1081.378
where: short stacking energy: -449.295
Base-Backbone interact. energy: 1.474
local terms energy: -514.991795
where:
bonds (distance) C4'-P energy: -99.665
bonds (distance) P-C4' energy: -97.923
flat angles C4'-P-C4' energy: -115.901
flat angles P-C4'-P energy: -68.040
tors. eta vs tors. theta energy: -133.463
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: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1545.449284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.449284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.449284 (E_RNA)
where:
Base-Base interactions energy: -1044.767
where: short stacking energy: -466.216
Base-Backbone interact. energy: 0.557
local terms energy: -501.239158
where:
bonds (distance) C4'-P energy: -89.808
bonds (distance) P-C4' energy: -96.176
flat angles C4'-P-C4' energy: -119.379
flat angles P-C4'-P energy: -65.216
tors. eta vs tors. theta energy: -130.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1444.033553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.033553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.033553 (E_RNA)
where:
Base-Base interactions energy: -977.028
where: short stacking energy: -428.384
Base-Backbone interact. energy: 1.228
local terms energy: -468.233556
where:
bonds (distance) C4'-P energy: -88.465
bonds (distance) P-C4' energy: -89.826
flat angles C4'-P-C4' energy: -106.468
flat angles P-C4'-P energy: -68.963
tors. eta vs tors. theta energy: -114.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1238.295019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.295019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.295019 (E_RNA)
where:
Base-Base interactions energy: -850.527
where: short stacking energy: -367.537
Base-Backbone interact. energy: -2.811
local terms energy: -384.957527
where:
bonds (distance) C4'-P energy: -76.207
bonds (distance) P-C4' energy: -83.531
flat angles C4'-P-C4' energy: -90.958
flat angles P-C4'-P energy: -54.872
tors. eta vs tors. theta energy: -79.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -858.898827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.898827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.898827 (E_RNA)
where:
Base-Base interactions energy: -499.695
where: short stacking energy: -232.543
Base-Backbone interact. energy: 4.747
local terms energy: -363.950181
where:
bonds (distance) C4'-P energy: -90.000
bonds (distance) P-C4' energy: -90.352
flat angles C4'-P-C4' energy: -100.867
flat angles P-C4'-P energy: -51.883
tors. eta vs tors. theta energy: -30.847
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: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -487.266696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.266696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.266696 (E_RNA)
where:
Base-Base interactions energy: -202.076
where: short stacking energy: -147.934
Base-Backbone interact. energy: -0.247
local terms energy: -284.943577
where:
bonds (distance) C4'-P energy: -87.244
bonds (distance) P-C4' energy: -94.488
flat angles C4'-P-C4' energy: -75.711
flat angles P-C4'-P energy: -47.802
tors. eta vs tors. theta energy: 20.302
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: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1948.003986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.003986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.003986 (E_RNA)
where:
Base-Base interactions energy: -1323.679
where: short stacking energy: -584.042
Base-Backbone interact. energy: -2.633
local terms energy: -621.692438
where:
bonds (distance) C4'-P energy: -116.736
bonds (distance) P-C4' energy: -109.686
flat angles C4'-P-C4' energy: -132.583
flat angles P-C4'-P energy: -85.748
tors. eta vs tors. theta energy: -176.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1855.229236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.229236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.229236 (E_RNA)
where:
Base-Base interactions energy: -1277.834
where: short stacking energy: -549.147
Base-Backbone interact. energy: -1.196
local terms energy: -576.199100
where:
bonds (distance) C4'-P energy: -104.604
bonds (distance) P-C4' energy: -105.781
flat angles C4'-P-C4' energy: -123.032
flat angles P-C4'-P energy: -76.736
tors. eta vs tors. theta energy: -166.047
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: 415
Temperature: 1.000000
Total energy: -1748.118272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.118272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.118272 (E_RNA)
where:
Base-Base interactions energy: -1197.321
where: short stacking energy: -489.760
Base-Backbone interact. energy: -3.936
local terms energy: -546.861616
where:
bonds (distance) C4'-P energy: -105.975
bonds (distance) P-C4' energy: -103.533
flat angles C4'-P-C4' energy: -121.641
flat angles P-C4'-P energy: -77.280
tors. eta vs tors. theta energy: -138.433
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: 415
Temperature: 1.050000
Total energy: -1679.957911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.957911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.957911 (E_RNA)
where:
Base-Base interactions energy: -1155.914
where: short stacking energy: -492.829
Base-Backbone interact. energy: -1.296
local terms energy: -522.747823
where:
bonds (distance) C4'-P energy: -92.357
bonds (distance) P-C4' energy: -115.790
flat angles C4'-P-C4' energy: -101.169
flat angles P-C4'-P energy: -74.880
tors. eta vs tors. theta energy: -138.552
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: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1559.487099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.487099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.487099 (E_RNA)
where:
Base-Base interactions energy: -1081.996
where: short stacking energy: -482.074
Base-Backbone interact. energy: -1.807
local terms energy: -475.683955
where:
bonds (distance) C4'-P energy: -77.350
bonds (distance) P-C4' energy: -93.548
flat angles C4'-P-C4' energy: -112.114
flat angles P-C4'-P energy: -61.776
tors. eta vs tors. theta energy: -130.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1487.236150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.236150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.236150 (E_RNA)
where:
Base-Base interactions energy: -990.987
where: short stacking energy: -416.673
Base-Backbone interact. energy: 3.124
local terms energy: -499.373881
where:
bonds (distance) C4'-P energy: -92.281
bonds (distance) P-C4' energy: -94.143
flat angles C4'-P-C4' energy: -110.099
flat angles P-C4'-P energy: -73.903
tors. eta vs tors. theta energy: -128.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1382.618275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.618275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.618275 (E_RNA)
where:
Base-Base interactions energy: -931.181
where: short stacking energy: -409.179
Base-Backbone interact. energy: 3.553
local terms energy: -454.989793
where:
bonds (distance) C4'-P energy: -91.850
bonds (distance) P-C4' energy: -93.429
flat angles C4'-P-C4' energy: -104.159
flat angles P-C4'-P energy: -64.070
tors. eta vs tors. theta energy: -101.481
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: 8, replica: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1250.711425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.711425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.711425 (E_RNA)
where:
Base-Base interactions energy: -822.422
where: short stacking energy: -374.268
Base-Backbone interact. energy: -0.655
local terms energy: -427.634397
where:
bonds (distance) C4'-P energy: -103.651
bonds (distance) P-C4' energy: -71.569
flat angles C4'-P-C4' energy: -84.809
flat angles P-C4'-P energy: -62.156
tors. eta vs tors. theta energy: -105.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -864.143503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.143503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.143503 (E_RNA)
where:
Base-Base interactions energy: -505.451
where: short stacking energy: -227.870
Base-Backbone interact. energy: 0.295
local terms energy: -358.988070
where:
bonds (distance) C4'-P energy: -81.964
bonds (distance) P-C4' energy: -103.494
flat angles C4'-P-C4' energy: -92.056
flat angles P-C4'-P energy: -58.075
tors. eta vs tors. theta energy: -23.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -489.932999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.932999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.932999 (E_RNA)
where:
Base-Base interactions energy: -221.911
where: short stacking energy: -129.936
Base-Backbone interact. energy: 11.043
local terms energy: -279.065547
where:
bonds (distance) C4'-P energy: -71.662
bonds (distance) P-C4' energy: -85.763
flat angles C4'-P-C4' energy: -83.761
flat angles P-C4'-P energy: -50.323
tors. eta vs tors. theta energy: 12.444
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: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1915.457799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.457799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.457799 (E_RNA)
where:
Base-Base interactions energy: -1315.923
where: short stacking energy: -573.282
Base-Backbone interact. energy: -0.095
local terms energy: -599.439552
where:
bonds (distance) C4'-P energy: -106.940
bonds (distance) P-C4' energy: -109.340
flat angles C4'-P-C4' energy: -122.564
flat angles P-C4'-P energy: -91.852
tors. eta vs tors. theta energy: -168.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1878.111658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.111658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.111658 (E_RNA)
where:
Base-Base interactions energy: -1298.579
where: short stacking energy: -548.352
Base-Backbone interact. energy: -2.048
local terms energy: -577.484378
where:
bonds (distance) C4'-P energy: -104.653
bonds (distance) P-C4' energy: -105.894
flat angles C4'-P-C4' energy: -121.619
flat angles P-C4'-P energy: -79.601
tors. eta vs tors. theta energy: -165.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1752.035950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.035950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.035950 (E_RNA)
where:
Base-Base interactions energy: -1193.881
where: short stacking energy: -507.330
Base-Backbone interact. energy: -2.607
local terms energy: -555.548004
where:
bonds (distance) C4'-P energy: -103.645
bonds (distance) P-C4' energy: -111.029
flat angles C4'-P-C4' energy: -125.909
flat angles P-C4'-P energy: -70.451
tors. eta vs tors. theta energy: -144.514
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: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1699.743716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.743716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.743716 (E_RNA)
where:
Base-Base interactions energy: -1159.495
where: short stacking energy: -480.448
Base-Backbone interact. energy: -4.444
local terms energy: -535.804445
where:
bonds (distance) C4'-P energy: -104.574
bonds (distance) P-C4' energy: -111.633
flat angles C4'-P-C4' energy: -109.053
flat angles P-C4'-P energy: -72.246
tors. eta vs tors. theta energy: -138.298
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: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1573.117126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.117126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.117126 (E_RNA)
where:
Base-Base interactions energy: -1060.656
where: short stacking energy: -471.893
Base-Backbone interact. energy: 1.149
local terms energy: -513.609725
where:
bonds (distance) C4'-P energy: -106.621
bonds (distance) P-C4' energy: -102.635
flat angles C4'-P-C4' energy: -107.092
flat angles P-C4'-P energy: -66.747
tors. eta vs tors. theta energy: -130.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1495.081937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.081937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.081937 (E_RNA)
where:
Base-Base interactions energy: -1018.699
where: short stacking energy: -423.053
Base-Backbone interact. energy: 0.838
local terms energy: -477.221367
where:
bonds (distance) C4'-P energy: -90.596
bonds (distance) P-C4' energy: -94.357
flat angles C4'-P-C4' energy: -106.068
flat angles P-C4'-P energy: -75.876
tors. eta vs tors. theta energy: -110.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1456.869433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.869433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.869433 (E_RNA)
where:
Base-Base interactions energy: -959.795
where: short stacking energy: -444.104
Base-Backbone interact. energy: 1.095
local terms energy: -498.168882
where:
bonds (distance) C4'-P energy: -101.687
bonds (distance) P-C4' energy: -109.631
flat angles C4'-P-C4' energy: -97.838
flat angles P-C4'-P energy: -78.749
tors. eta vs tors. theta energy: -110.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1207.429103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.429103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.429103 (E_RNA)
where:
Base-Base interactions energy: -791.299
where: short stacking energy: -342.117
Base-Backbone interact. energy: -1.372
local terms energy: -414.758397
where:
bonds (distance) C4'-P energy: -91.988
bonds (distance) P-C4' energy: -94.532
flat angles C4'-P-C4' energy: -76.402
flat angles P-C4'-P energy: -68.198
tors. eta vs tors. theta energy: -83.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -927.571606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.571606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.571606 (E_RNA)
where:
Base-Base interactions energy: -563.305
where: short stacking energy: -255.678
Base-Backbone interact. energy: -3.820
local terms energy: -360.447231
where:
bonds (distance) C4'-P energy: -85.453
bonds (distance) P-C4' energy: -90.831
flat angles C4'-P-C4' energy: -81.101
flat angles P-C4'-P energy: -55.021
tors. eta vs tors. theta energy: -48.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -488.449075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.449075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.449075 (E_RNA)
where:
Base-Base interactions energy: -207.808
where: short stacking energy: -140.521
Base-Backbone interact. energy: 0.442
local terms energy: -281.082151
where:
bonds (distance) C4'-P energy: -81.444
bonds (distance) P-C4' energy: -88.287
flat angles C4'-P-C4' energy: -75.507
flat angles P-C4'-P energy: -46.267
tors. eta vs tors. theta energy: 10.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1943.006120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.006120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.006120 (E_RNA)
where:
Base-Base interactions energy: -1358.001
where: short stacking energy: -559.109
Base-Backbone interact. energy: -1.411
local terms energy: -583.593965
where:
bonds (distance) C4'-P energy: -105.856
bonds (distance) P-C4' energy: -112.717
flat angles C4'-P-C4' energy: -119.660
flat angles P-C4'-P energy: -74.070
tors. eta vs tors. theta energy: -171.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1879.136541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.136541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.136541 (E_RNA)
where:
Base-Base interactions energy: -1278.337
where: short stacking energy: -548.351
Base-Backbone interact. energy: -1.780
local terms energy: -599.019488
where:
bonds (distance) C4'-P energy: -98.636
bonds (distance) P-C4' energy: -119.964
flat angles C4'-P-C4' energy: -124.754
flat angles P-C4'-P energy: -84.010
tors. eta vs tors. theta energy: -171.655
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: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1776.861156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.861156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.861156 (E_RNA)
where:
Base-Base interactions energy: -1208.225
where: short stacking energy: -512.869
Base-Backbone interact. energy: -3.346
local terms energy: -565.290428
where:
bonds (distance) C4'-P energy: -105.435
bonds (distance) P-C4' energy: -108.447
flat angles C4'-P-C4' energy: -121.331
flat angles P-C4'-P energy: -73.304
tors. eta vs tors. theta energy: -156.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1636.181599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.181599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.181599 (E_RNA)
where:
Base-Base interactions energy: -1118.014
where: short stacking energy: -468.965
Base-Backbone interact. energy: 3.063
local terms energy: -521.230171
where:
bonds (distance) C4'-P energy: -100.501
bonds (distance) P-C4' energy: -104.542
flat angles C4'-P-C4' energy: -105.516
flat angles P-C4'-P energy: -84.422
tors. eta vs tors. theta energy: -126.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1561.289659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.289659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.289659 (E_RNA)
where:
Base-Base interactions energy: -1048.948
where: short stacking energy: -445.178
Base-Backbone interact. energy: -0.960
local terms energy: -511.381635
where:
bonds (distance) C4'-P energy: -86.736
bonds (distance) P-C4' energy: -106.809
flat angles C4'-P-C4' energy: -106.620
flat angles P-C4'-P energy: -82.949
tors. eta vs tors. theta energy: -128.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1460.943303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.943303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.943303 (E_RNA)
where:
Base-Base interactions energy: -978.699
where: short stacking energy: -438.086
Base-Backbone interact. energy: -1.340
local terms energy: -480.904940
where:
bonds (distance) C4'-P energy: -85.309
bonds (distance) P-C4' energy: -99.072
flat angles C4'-P-C4' energy: -111.375
flat angles P-C4'-P energy: -62.806
tors. eta vs tors. theta energy: -122.342
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: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1485.524712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.524712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.524712 (E_RNA)
where:
Base-Base interactions energy: -994.483
where: short stacking energy: -445.174
Base-Backbone interact. energy: 2.120
local terms energy: -493.161803
where:
bonds (distance) C4'-P energy: -104.509
bonds (distance) P-C4' energy: -91.608
flat angles C4'-P-C4' energy: -116.332
flat angles P-C4'-P energy: -66.298
tors. eta vs tors. theta energy: -114.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1226.384707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.384707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.384707 (E_RNA)
where:
Base-Base interactions energy: -810.079
where: short stacking energy: -327.549
Base-Backbone interact. energy: 2.539
local terms energy: -418.844964
where:
bonds (distance) C4'-P energy: -88.945
bonds (distance) P-C4' energy: -98.154
flat angles C4'-P-C4' energy: -102.778
flat angles P-C4'-P energy: -57.719
tors. eta vs tors. theta energy: -71.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -865.403598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.403598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.403598 (E_RNA)
where:
Base-Base interactions energy: -539.291
where: short stacking energy: -252.444
Base-Backbone interact. energy: 3.660
local terms energy: -329.772999
where:
bonds (distance) C4'-P energy: -78.205
bonds (distance) P-C4' energy: -85.526
flat angles C4'-P-C4' energy: -79.918
flat angles P-C4'-P energy: -45.424
tors. eta vs tors. theta energy: -40.700
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: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -460.814767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.814767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.814767 (E_RNA)
where:
Base-Base interactions energy: -181.815
where: short stacking energy: -141.310
Base-Backbone interact. energy: -1.152
local terms energy: -277.847181
where:
bonds (distance) C4'-P energy: -70.023
bonds (distance) P-C4' energy: -89.157
flat angles C4'-P-C4' energy: -96.700
flat angles P-C4'-P energy: -40.751
tors. eta vs tors. theta energy: 18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1939.380031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.380031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.380031 (E_RNA)
where:
Base-Base interactions energy: -1332.791
where: short stacking energy: -589.060
Base-Backbone interact. energy: -0.283
local terms energy: -606.306371
where:
bonds (distance) C4'-P energy: -116.876
bonds (distance) P-C4' energy: -113.621
flat angles C4'-P-C4' energy: -117.370
flat angles P-C4'-P energy: -87.296
tors. eta vs tors. theta energy: -171.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1857.864103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.864103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.864103 (E_RNA)
where:
Base-Base interactions energy: -1294.250
where: short stacking energy: -536.967
Base-Backbone interact. energy: -3.121
local terms energy: -560.493474
where:
bonds (distance) C4'-P energy: -100.576
bonds (distance) P-C4' energy: -102.470
flat angles C4'-P-C4' energy: -115.720
flat angles P-C4'-P energy: -78.206
tors. eta vs tors. theta energy: -163.521
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: 418
Temperature: 1.000000
Total energy: -1768.147724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.147724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.147724 (E_RNA)
where:
Base-Base interactions energy: -1221.700
where: short stacking energy: -541.524
Base-Backbone interact. energy: -1.795
local terms energy: -544.653462
where:
bonds (distance) C4'-P energy: -89.525
bonds (distance) P-C4' energy: -102.671
flat angles C4'-P-C4' energy: -120.389
flat angles P-C4'-P energy: -75.915
tors. eta vs tors. theta energy: -156.153
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: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1695.962270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.962270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.962270 (E_RNA)
where:
Base-Base interactions energy: -1166.617
where: short stacking energy: -484.456
Base-Backbone interact. energy: -4.833
local terms energy: -524.511438
where:
bonds (distance) C4'-P energy: -92.775
bonds (distance) P-C4' energy: -109.942
flat angles C4'-P-C4' energy: -114.436
flat angles P-C4'-P energy: -75.555
tors. eta vs tors. theta energy: -131.803
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: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1574.027504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.027504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.027504 (E_RNA)
where:
Base-Base interactions energy: -1089.110
where: short stacking energy: -448.474
Base-Backbone interact. energy: -0.600
local terms energy: -484.317631
where:
bonds (distance) C4'-P energy: -80.223
bonds (distance) P-C4' energy: -93.095
flat angles C4'-P-C4' energy: -114.743
flat angles P-C4'-P energy: -70.262
tors. eta vs tors. theta energy: -125.995
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: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1523.570053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.570053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.570053 (E_RNA)
where:
Base-Base interactions energy: -1055.423
where: short stacking energy: -431.145
Base-Backbone interact. energy: -1.263
local terms energy: -466.883646
where:
bonds (distance) C4'-P energy: -85.350
bonds (distance) P-C4' energy: -90.288
flat angles C4'-P-C4' energy: -100.437
flat angles P-C4'-P energy: -67.845
tors. eta vs tors. theta energy: -122.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1425.591402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.591402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.591402 (E_RNA)
where:
Base-Base interactions energy: -950.427
where: short stacking energy: -400.846
Base-Backbone interact. energy: -4.029
local terms energy: -471.135277
where:
bonds (distance) C4'-P energy: -91.695
bonds (distance) P-C4' energy: -101.574
flat angles C4'-P-C4' energy: -100.289
flat angles P-C4'-P energy: -66.045
tors. eta vs tors. theta energy: -111.533
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: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1274.902911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.902911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.902911 (E_RNA)
where:
Base-Base interactions energy: -849.487
where: short stacking energy: -358.349
Base-Backbone interact. energy: -0.661
local terms energy: -424.755522
where:
bonds (distance) C4'-P energy: -90.017
bonds (distance) P-C4' energy: -94.203
flat angles C4'-P-C4' energy: -91.029
flat angles P-C4'-P energy: -67.504
tors. eta vs tors. theta energy: -82.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -924.716835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.716835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.716835 (E_RNA)
where:
Base-Base interactions energy: -559.656
where: short stacking energy: -250.451
Base-Backbone interact. energy: -1.536
local terms energy: -363.524748
where:
bonds (distance) C4'-P energy: -93.322
bonds (distance) P-C4' energy: -86.198
flat angles C4'-P-C4' energy: -94.373
flat angles P-C4'-P energy: -58.076
tors. eta vs tors. theta energy: -31.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -419.348817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.348817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.348817 (E_RNA)
where:
Base-Base interactions energy: -143.473
where: short stacking energy: -129.037
Base-Backbone interact. energy: 5.070
local terms energy: -280.945265
where:
bonds (distance) C4'-P energy: -94.538
bonds (distance) P-C4' energy: -90.164
flat angles C4'-P-C4' energy: -79.332
flat angles P-C4'-P energy: -45.991
tors. eta vs tors. theta energy: 29.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1929.382210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.382210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.382210 (E_RNA)
where:
Base-Base interactions energy: -1331.592
where: short stacking energy: -578.561
Base-Backbone interact. energy: -1.630
local terms energy: -596.159828
where:
bonds (distance) C4'-P energy: -101.916
bonds (distance) P-C4' energy: -104.657
flat angles C4'-P-C4' energy: -129.444
flat angles P-C4'-P energy: -85.323
tors. eta vs tors. theta energy: -174.819
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: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1845.540792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.540792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.540792 (E_RNA)
where:
Base-Base interactions energy: -1261.065
where: short stacking energy: -532.524
Base-Backbone interact. energy: -4.917
local terms energy: -579.558613
where:
bonds (distance) C4'-P energy: -96.067
bonds (distance) P-C4' energy: -110.799
flat angles C4'-P-C4' energy: -112.750
flat angles P-C4'-P energy: -95.553
tors. eta vs tors. theta energy: -164.390
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: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1744.291453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.291453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.291453 (E_RNA)
where:
Base-Base interactions energy: -1182.942
where: short stacking energy: -523.921
Base-Backbone interact. energy: -4.145
local terms energy: -557.205204
where:
bonds (distance) C4'-P energy: -101.713
bonds (distance) P-C4' energy: -112.112
flat angles C4'-P-C4' energy: -120.615
flat angles P-C4'-P energy: -64.631
tors. eta vs tors. theta energy: -158.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1681.294054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.294054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.294054 (E_RNA)
where:
Base-Base interactions energy: -1140.249
where: short stacking energy: -483.214
Base-Backbone interact. energy: -0.866
local terms energy: -540.178496
where:
bonds (distance) C4'-P energy: -93.676
bonds (distance) P-C4' energy: -107.091
flat angles C4'-P-C4' energy: -114.955
flat angles P-C4'-P energy: -79.592
tors. eta vs tors. theta energy: -144.864
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: 419
Temperature: 1.100000
Total energy: -1549.004937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.004937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.004937 (E_RNA)
where:
Base-Base interactions energy: -1015.056
where: short stacking energy: -454.481
Base-Backbone interact. energy: -0.777
local terms energy: -533.171706
where:
bonds (distance) C4'-P energy: -114.791
bonds (distance) P-C4' energy: -99.284
flat angles C4'-P-C4' energy: -121.375
flat angles P-C4'-P energy: -78.147
tors. eta vs tors. theta energy: -119.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1525.762165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.762165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.762165 (E_RNA)
where:
Base-Base interactions energy: -1062.170
where: short stacking energy: -461.769
Base-Backbone interact. energy: 0.240
local terms energy: -463.832891
where:
bonds (distance) C4'-P energy: -82.588
bonds (distance) P-C4' energy: -88.898
flat angles C4'-P-C4' energy: -103.297
flat angles P-C4'-P energy: -64.663
tors. eta vs tors. theta energy: -124.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1484.167906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.167906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.167906 (E_RNA)
where:
Base-Base interactions energy: -1041.240
where: short stacking energy: -453.619
Base-Backbone interact. energy: -3.190
local terms energy: -439.737561
where:
bonds (distance) C4'-P energy: -90.303
bonds (distance) P-C4' energy: -69.989
flat angles C4'-P-C4' energy: -103.834
flat angles P-C4'-P energy: -59.483
tors. eta vs tors. theta energy: -116.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1246.665735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.665735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.665735 (E_RNA)
where:
Base-Base interactions energy: -834.620
where: short stacking energy: -373.552
Base-Backbone interact. energy: -1.653
local terms energy: -410.392698
where:
bonds (distance) C4'-P energy: -76.984
bonds (distance) P-C4' energy: -96.932
flat angles C4'-P-C4' energy: -87.187
flat angles P-C4'-P energy: -62.870
tors. eta vs tors. theta energy: -86.421
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: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -953.012848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.012848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.012848 (E_RNA)
where:
Base-Base interactions energy: -598.273
where: short stacking energy: -277.391
Base-Backbone interact. energy: 0.027
local terms energy: -354.766317
where:
bonds (distance) C4'-P energy: -89.087
bonds (distance) P-C4' energy: -75.117
flat angles C4'-P-C4' energy: -80.987
flat angles P-C4'-P energy: -55.126
tors. eta vs tors. theta energy: -54.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -459.877551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.877551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.877551 (E_RNA)
where:
Base-Base interactions energy: -167.965
where: short stacking energy: -141.813
Base-Backbone interact. energy: 2.015
local terms energy: -293.927700
where:
bonds (distance) C4'-P energy: -94.936
bonds (distance) P-C4' energy: -87.741
flat angles C4'-P-C4' energy: -73.601
flat angles P-C4'-P energy: -41.856
tors. eta vs tors. theta energy: 4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1929.875636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.875636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.875636 (E_RNA)
where:
Base-Base interactions energy: -1347.522
where: short stacking energy: -570.002
Base-Backbone interact. energy: 0.007
local terms energy: -582.360931
where:
bonds (distance) C4'-P energy: -99.871
bonds (distance) P-C4' energy: -113.892
flat angles C4'-P-C4' energy: -127.929
flat angles P-C4'-P energy: -78.435
tors. eta vs tors. theta energy: -162.235
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: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1850.142455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.142455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.142455 (E_RNA)
where:
Base-Base interactions energy: -1288.246
where: short stacking energy: -534.857
Base-Backbone interact. energy: -3.100
local terms energy: -558.796521
where:
bonds (distance) C4'-P energy: -97.871
bonds (distance) P-C4' energy: -93.774
flat angles C4'-P-C4' energy: -115.440
flat angles P-C4'-P energy: -93.238
tors. eta vs tors. theta energy: -158.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1687.689868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.689868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.689868 (E_RNA)
where:
Base-Base interactions energy: -1145.210
where: short stacking energy: -511.427
Base-Backbone interact. energy: -1.300
local terms energy: -541.179440
where:
bonds (distance) C4'-P energy: -104.611
bonds (distance) P-C4' energy: -104.090
flat angles C4'-P-C4' energy: -118.713
flat angles P-C4'-P energy: -71.067
tors. eta vs tors. theta energy: -142.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1733.154166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.154166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.154166 (E_RNA)
where:
Base-Base interactions energy: -1199.653
where: short stacking energy: -505.760
Base-Backbone interact. energy: -2.147
local terms energy: -531.353931
where:
bonds (distance) C4'-P energy: -95.876
bonds (distance) P-C4' energy: -88.866
flat angles C4'-P-C4' energy: -121.177
flat angles P-C4'-P energy: -67.641
tors. eta vs tors. theta energy: -157.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1534.517987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.517987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.517987 (E_RNA)
where:
Base-Base interactions energy: -1010.502
where: short stacking energy: -441.168
Base-Backbone interact. energy: -3.296
local terms energy: -520.720009
where:
bonds (distance) C4'-P energy: -109.074
bonds (distance) P-C4' energy: -103.924
flat angles C4'-P-C4' energy: -110.044
flat angles P-C4'-P energy: -75.669
tors. eta vs tors. theta energy: -122.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1571.800825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.800825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.800825 (E_RNA)
where:
Base-Base interactions energy: -1101.413
where: short stacking energy: -446.858
Base-Backbone interact. energy: 0.569
local terms energy: -470.957010
where:
bonds (distance) C4'-P energy: -85.937
bonds (distance) P-C4' energy: -92.236
flat angles C4'-P-C4' energy: -106.497
flat angles P-C4'-P energy: -69.122
tors. eta vs tors. theta energy: -117.165
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: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1483.311319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.311319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.311319 (E_RNA)
where:
Base-Base interactions energy: -1017.431
where: short stacking energy: -430.072
Base-Backbone interact. energy: -2.332
local terms energy: -463.548341
where:
bonds (distance) C4'-P energy: -83.043
bonds (distance) P-C4' energy: -110.146
flat angles C4'-P-C4' energy: -103.452
flat angles P-C4'-P energy: -61.148
tors. eta vs tors. theta energy: -105.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1248.515703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.515703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.515703 (E_RNA)
where:
Base-Base interactions energy: -831.405
where: short stacking energy: -364.193
Base-Backbone interact. energy: -1.116
local terms energy: -415.994739
where:
bonds (distance) C4'-P energy: -87.608
bonds (distance) P-C4' energy: -97.851
flat angles C4'-P-C4' energy: -95.564
flat angles P-C4'-P energy: -59.311
tors. eta vs tors. theta energy: -75.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -884.908448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.908448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.908448 (E_RNA)
where:
Base-Base interactions energy: -537.948
where: short stacking energy: -239.576
Base-Backbone interact. energy: -0.729
local terms energy: -346.232207
where:
bonds (distance) C4'-P energy: -87.169
bonds (distance) P-C4' energy: -93.537
flat angles C4'-P-C4' energy: -92.305
flat angles P-C4'-P energy: -43.851
tors. eta vs tors. theta energy: -29.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -443.250095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.250095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.250095 (E_RNA)
where:
Base-Base interactions energy: -170.683
where: short stacking energy: -131.064
Base-Backbone interact. energy: -3.161
local terms energy: -269.406062
where:
bonds (distance) C4'-P energy: -81.398
bonds (distance) P-C4' energy: -98.820
flat angles C4'-P-C4' energy: -66.893
flat angles P-C4'-P energy: -40.184
tors. eta vs tors. theta energy: 17.890
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: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1926.588137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.588137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.588137 (E_RNA)
where:
Base-Base interactions energy: -1333.651
where: short stacking energy: -590.067
Base-Backbone interact. energy: -0.737
local terms energy: -592.200010
where:
bonds (distance) C4'-P energy: -101.374
bonds (distance) P-C4' energy: -100.076
flat angles C4'-P-C4' energy: -138.347
flat angles P-C4'-P energy: -77.112
tors. eta vs tors. theta energy: -175.290
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: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1884.318022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.318022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.318022 (E_RNA)
where:
Base-Base interactions energy: -1297.109
where: short stacking energy: -561.943
Base-Backbone interact. energy: -2.066
local terms energy: -585.143199
where:
bonds (distance) C4'-P energy: -97.557
bonds (distance) P-C4' energy: -102.753
flat angles C4'-P-C4' energy: -123.417
flat angles P-C4'-P energy: -95.956
tors. eta vs tors. theta energy: -165.460
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: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1751.814642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.814642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.814642 (E_RNA)
where:
Base-Base interactions energy: -1160.202
where: short stacking energy: -517.261
Base-Backbone interact. energy: -4.176
local terms energy: -587.436047
where:
bonds (distance) C4'-P energy: -106.219
bonds (distance) P-C4' energy: -115.893
flat angles C4'-P-C4' energy: -121.038
flat angles P-C4'-P energy: -84.228
tors. eta vs tors. theta energy: -160.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1715.768761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.768761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.768761 (E_RNA)
where:
Base-Base interactions energy: -1169.492
where: short stacking energy: -515.643
Base-Backbone interact. energy: -0.867
local terms energy: -545.409847
where:
bonds (distance) C4'-P energy: -86.655
bonds (distance) P-C4' energy: -98.730
flat angles C4'-P-C4' energy: -125.565
flat angles P-C4'-P energy: -73.432
tors. eta vs tors. theta energy: -161.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1587.334385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.334385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.334385 (E_RNA)
where:
Base-Base interactions energy: -1068.805
where: short stacking energy: -447.748
Base-Backbone interact. energy: -3.142
local terms energy: -515.388362
where:
bonds (distance) C4'-P energy: -84.167
bonds (distance) P-C4' energy: -112.246
flat angles C4'-P-C4' energy: -109.002
flat angles P-C4'-P energy: -71.036
tors. eta vs tors. theta energy: -138.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1548.216917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.216917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.216917 (E_RNA)
where:
Base-Base interactions energy: -1070.215
where: short stacking energy: -458.424
Base-Backbone interact. energy: -0.048
local terms energy: -477.953854
where:
bonds (distance) C4'-P energy: -83.916
bonds (distance) P-C4' energy: -84.763
flat angles C4'-P-C4' energy: -112.694
flat angles P-C4'-P energy: -73.658
tors. eta vs tors. theta energy: -122.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1490.969169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.969169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.969169 (E_RNA)
where:
Base-Base interactions energy: -1022.559
where: short stacking energy: -441.594
Base-Backbone interact. energy: -1.989
local terms energy: -466.420701
where:
bonds (distance) C4'-P energy: -88.082
bonds (distance) P-C4' energy: -96.813
flat angles C4'-P-C4' energy: -101.652
flat angles P-C4'-P energy: -52.791
tors. eta vs tors. theta energy: -127.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1223.274638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.274638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.274638 (E_RNA)
where:
Base-Base interactions energy: -787.246
where: short stacking energy: -329.704
Base-Backbone interact. energy: -0.597
local terms energy: -435.432288
where:
bonds (distance) C4'-P energy: -91.005
bonds (distance) P-C4' energy: -106.944
flat angles C4'-P-C4' energy: -105.644
flat angles P-C4'-P energy: -58.042
tors. eta vs tors. theta energy: -73.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -861.512416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.512416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.512416 (E_RNA)
where:
Base-Base interactions energy: -506.255
where: short stacking energy: -236.479
Base-Backbone interact. energy: -0.814
local terms energy: -354.443510
where:
bonds (distance) C4'-P energy: -80.150
bonds (distance) P-C4' energy: -96.095
flat angles C4'-P-C4' energy: -89.977
flat angles P-C4'-P energy: -58.975
tors. eta vs tors. theta energy: -29.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -441.352009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.352009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.352009 (E_RNA)
where:
Base-Base interactions energy: -155.835
where: short stacking energy: -122.829
Base-Backbone interact. energy: -0.352
local terms energy: -285.164415
where:
bonds (distance) C4'-P energy: -77.530
bonds (distance) P-C4' energy: -84.770
flat angles C4'-P-C4' energy: -85.971
flat angles P-C4'-P energy: -58.961
tors. eta vs tors. theta energy: 22.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1925.546678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.546678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.546678 (E_RNA)
where:
Base-Base interactions energy: -1334.846
where: short stacking energy: -574.778
Base-Backbone interact. energy: -2.432
local terms energy: -588.268590
where:
bonds (distance) C4'-P energy: -124.075
bonds (distance) P-C4' energy: -96.518
flat angles C4'-P-C4' energy: -119.881
flat angles P-C4'-P energy: -75.769
tors. eta vs tors. theta energy: -172.026
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: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1897.540811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.540811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.540811 (E_RNA)
where:
Base-Base interactions energy: -1304.688
where: short stacking energy: -592.514
Base-Backbone interact. energy: -2.505
local terms energy: -590.348578
where:
bonds (distance) C4'-P energy: -102.146
bonds (distance) P-C4' energy: -104.749
flat angles C4'-P-C4' energy: -124.458
flat angles P-C4'-P energy: -83.217
tors. eta vs tors. theta energy: -175.779
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: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1734.441325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.441325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.441325 (E_RNA)
where:
Base-Base interactions energy: -1178.752
where: short stacking energy: -487.321
Base-Backbone interact. energy: -3.662
local terms energy: -552.026692
where:
bonds (distance) C4'-P energy: -98.836
bonds (distance) P-C4' energy: -103.904
flat angles C4'-P-C4' energy: -128.200
flat angles P-C4'-P energy: -76.308
tors. eta vs tors. theta energy: -144.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1704.098143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.098143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.098143 (E_RNA)
where:
Base-Base interactions energy: -1185.805
where: short stacking energy: -507.682
Base-Backbone interact. energy: -2.914
local terms energy: -515.378491
where:
bonds (distance) C4'-P energy: -96.144
bonds (distance) P-C4' energy: -80.765
flat angles C4'-P-C4' energy: -109.909
flat angles P-C4'-P energy: -84.397
tors. eta vs tors. theta energy: -144.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1601.724889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.724889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.724889 (E_RNA)
where:
Base-Base interactions energy: -1097.200
where: short stacking energy: -431.697
Base-Backbone interact. energy: -2.153
local terms energy: -502.371473
where:
bonds (distance) C4'-P energy: -92.848
bonds (distance) P-C4' energy: -105.707
flat angles C4'-P-C4' energy: -117.608
flat angles P-C4'-P energy: -65.720
tors. eta vs tors. theta energy: -120.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1581.400531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.400531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.400531 (E_RNA)
where:
Base-Base interactions energy: -1088.003
where: short stacking energy: -451.756
Base-Backbone interact. energy: 3.323
local terms energy: -496.720139
where:
bonds (distance) C4'-P energy: -99.443
bonds (distance) P-C4' energy: -90.776
flat angles C4'-P-C4' energy: -110.684
flat angles P-C4'-P energy: -70.658
tors. eta vs tors. theta energy: -125.159
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: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1516.402187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.402187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.402187 (E_RNA)
where:
Base-Base interactions energy: -1023.218
where: short stacking energy: -435.877
Base-Backbone interact. energy: -1.322
local terms energy: -491.861711
where:
bonds (distance) C4'-P energy: -89.458
bonds (distance) P-C4' energy: -93.950
flat angles C4'-P-C4' energy: -104.490
flat angles P-C4'-P energy: -81.962
tors. eta vs tors. theta energy: -122.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1193.281591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.281591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.281591 (E_RNA)
where:
Base-Base interactions energy: -796.629
where: short stacking energy: -349.450
Base-Backbone interact. energy: -4.338
local terms energy: -392.314429
where:
bonds (distance) C4'-P energy: -82.030
bonds (distance) P-C4' energy: -93.051
flat angles C4'-P-C4' energy: -80.894
flat angles P-C4'-P energy: -56.183
tors. eta vs tors. theta energy: -80.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -821.252619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.252619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.252619 (E_RNA)
where:
Base-Base interactions energy: -498.462
where: short stacking energy: -231.156
Base-Backbone interact. energy: -1.674
local terms energy: -321.116307
where:
bonds (distance) C4'-P energy: -81.233
bonds (distance) P-C4' energy: -96.911
flat angles C4'-P-C4' energy: -84.277
flat angles P-C4'-P energy: -44.897
tors. eta vs tors. theta energy: -13.799
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: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -418.490664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.490664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.490664 (E_RNA)
where:
Base-Base interactions energy: -168.640
where: short stacking energy: -112.724
Base-Backbone interact. energy: 2.058
local terms energy: -251.908120
where:
bonds (distance) C4'-P energy: -86.491
bonds (distance) P-C4' energy: -91.795
flat angles C4'-P-C4' energy: -72.949
flat angles P-C4'-P energy: -42.574
tors. eta vs tors. theta energy: 41.901
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: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1929.761151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.761151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.761151 (E_RNA)
where:
Base-Base interactions energy: -1320.336
where: short stacking energy: -566.221
Base-Backbone interact. energy: -4.000
local terms energy: -605.424791
where:
bonds (distance) C4'-P energy: -115.843
bonds (distance) P-C4' energy: -103.080
flat angles C4'-P-C4' energy: -123.825
flat angles P-C4'-P energy: -93.348
tors. eta vs tors. theta energy: -169.328
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: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1860.938508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.938508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.938508 (E_RNA)
where:
Base-Base interactions energy: -1257.104
where: short stacking energy: -554.983
Base-Backbone interact. energy: -0.803
local terms energy: -603.032429
where:
bonds (distance) C4'-P energy: -117.011
bonds (distance) P-C4' energy: -114.257
flat angles C4'-P-C4' energy: -120.182
flat angles P-C4'-P energy: -82.132
tors. eta vs tors. theta energy: -169.450
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: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1732.009200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.009200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.009200 (E_RNA)
where:
Base-Base interactions energy: -1176.875
where: short stacking energy: -518.128
Base-Backbone interact. energy: 1.513
local terms energy: -556.647103
where:
bonds (distance) C4'-P energy: -108.938
bonds (distance) P-C4' energy: -99.138
flat angles C4'-P-C4' energy: -114.952
flat angles P-C4'-P energy: -89.941
tors. eta vs tors. theta energy: -143.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1710.460342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.460342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.460342 (E_RNA)
where:
Base-Base interactions energy: -1172.281
where: short stacking energy: -509.028
Base-Backbone interact. energy: 8.492
local terms energy: -546.670930
where:
bonds (distance) C4'-P energy: -103.276
bonds (distance) P-C4' energy: -106.245
flat angles C4'-P-C4' energy: -120.319
flat angles P-C4'-P energy: -67.678
tors. eta vs tors. theta energy: -149.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1589.987999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.987999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.987999 (E_RNA)
where:
Base-Base interactions energy: -1096.469
where: short stacking energy: -445.244
Base-Backbone interact. energy: 2.484
local terms energy: -496.002722
where:
bonds (distance) C4'-P energy: -93.616
bonds (distance) P-C4' energy: -93.432
flat angles C4'-P-C4' energy: -114.552
flat angles P-C4'-P energy: -64.089
tors. eta vs tors. theta energy: -130.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1567.359806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.359806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.359806 (E_RNA)
where:
Base-Base interactions energy: -1072.950
where: short stacking energy: -454.924
Base-Backbone interact. energy: -0.985
local terms energy: -493.425173
where:
bonds (distance) C4'-P energy: -96.131
bonds (distance) P-C4' energy: -97.664
flat angles C4'-P-C4' energy: -117.375
flat angles P-C4'-P energy: -63.344
tors. eta vs tors. theta energy: -118.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1461.000358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.000358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.000358 (E_RNA)
where:
Base-Base interactions energy: -1003.577
where: short stacking energy: -403.350
Base-Backbone interact. energy: -1.400
local terms energy: -456.023282
where:
bonds (distance) C4'-P energy: -94.260
bonds (distance) P-C4' energy: -89.829
flat angles C4'-P-C4' energy: -116.072
flat angles P-C4'-P energy: -51.951
tors. eta vs tors. theta energy: -103.911
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: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1212.659558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.659558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.659558 (E_RNA)
where:
Base-Base interactions energy: -788.221
where: short stacking energy: -339.788
Base-Backbone interact. energy: 1.718
local terms energy: -426.156321
where:
bonds (distance) C4'-P energy: -100.166
bonds (distance) P-C4' energy: -101.302
flat angles C4'-P-C4' energy: -94.528
flat angles P-C4'-P energy: -62.044
tors. eta vs tors. theta energy: -68.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -812.863846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.863846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.863846 (E_RNA)
where:
Base-Base interactions energy: -438.560
where: short stacking energy: -221.012
Base-Backbone interact. energy: -0.887
local terms energy: -373.417482
where:
bonds (distance) C4'-P energy: -91.870
bonds (distance) P-C4' energy: -105.595
flat angles C4'-P-C4' energy: -97.621
flat angles P-C4'-P energy: -56.785
tors. eta vs tors. theta energy: -21.547
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: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -425.454394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.454394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.454394 (E_RNA)
where:
Base-Base interactions energy: -156.996
where: short stacking energy: -123.154
Base-Backbone interact. energy: 3.559
local terms energy: -272.018216
where:
bonds (distance) C4'-P energy: -89.253
bonds (distance) P-C4' energy: -94.068
flat angles C4'-P-C4' energy: -65.653
flat angles P-C4'-P energy: -47.469
tors. eta vs tors. theta energy: 24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1944.086149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.086149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.086149 (E_RNA)
where:
Base-Base interactions energy: -1341.124
where: short stacking energy: -569.567
Base-Backbone interact. energy: -0.294
local terms energy: -602.668444
where:
bonds (distance) C4'-P energy: -101.633
bonds (distance) P-C4' energy: -106.172
flat angles C4'-P-C4' energy: -133.976
flat angles P-C4'-P energy: -80.079
tors. eta vs tors. theta energy: -180.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1896.130558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.130558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.130558 (E_RNA)
where:
Base-Base interactions energy: -1305.531
where: short stacking energy: -601.920
Base-Backbone interact. energy: -1.003
local terms energy: -589.596292
where:
bonds (distance) C4'-P energy: -101.299
bonds (distance) P-C4' energy: -106.884
flat angles C4'-P-C4' energy: -127.457
flat angles P-C4'-P energy: -82.668
tors. eta vs tors. theta energy: -171.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1768.957861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.957861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.957861 (E_RNA)
where:
Base-Base interactions energy: -1195.576
where: short stacking energy: -524.070
Base-Backbone interact. energy: 3.010
local terms energy: -576.392628
where:
bonds (distance) C4'-P energy: -113.635
bonds (distance) P-C4' energy: -104.466
flat angles C4'-P-C4' energy: -121.459
flat angles P-C4'-P energy: -84.535
tors. eta vs tors. theta energy: -152.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1719.907670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.907670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.907670 (E_RNA)
where:
Base-Base interactions energy: -1178.572
where: short stacking energy: -504.632
Base-Backbone interact. energy: -4.051
local terms energy: -537.285214
where:
bonds (distance) C4'-P energy: -102.899
bonds (distance) P-C4' energy: -90.125
flat angles C4'-P-C4' energy: -125.736
flat angles P-C4'-P energy: -76.088
tors. eta vs tors. theta energy: -142.438
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: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1579.207095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.207095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.207095 (E_RNA)
where:
Base-Base interactions energy: -1079.807
where: short stacking energy: -468.571
Base-Backbone interact. energy: -3.596
local terms energy: -495.804769
where:
bonds (distance) C4'-P energy: -72.268
bonds (distance) P-C4' energy: -109.297
flat angles C4'-P-C4' energy: -108.673
flat angles P-C4'-P energy: -68.572
tors. eta vs tors. theta energy: -136.995
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: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1575.636237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.636237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.636237 (E_RNA)
where:
Base-Base interactions energy: -1072.188
where: short stacking energy: -458.789
Base-Backbone interact. energy: 0.096
local terms energy: -503.544254
where:
bonds (distance) C4'-P energy: -100.521
bonds (distance) P-C4' energy: -98.910
flat angles C4'-P-C4' energy: -108.712
flat angles P-C4'-P energy: -64.841
tors. eta vs tors. theta energy: -130.560
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: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1432.786441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.786441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.786441 (E_RNA)
where:
Base-Base interactions energy: -994.279
where: short stacking energy: -409.473
Base-Backbone interact. energy: -2.017
local terms energy: -436.490034
where:
bonds (distance) C4'-P energy: -85.091
bonds (distance) P-C4' energy: -90.018
flat angles C4'-P-C4' energy: -101.165
flat angles P-C4'-P energy: -57.007
tors. eta vs tors. theta energy: -103.210
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: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1231.176426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.176426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.176426 (E_RNA)
where:
Base-Base interactions energy: -806.816
where: short stacking energy: -333.607
Base-Backbone interact. energy: 2.275
local terms energy: -426.636181
where:
bonds (distance) C4'-P energy: -94.536
bonds (distance) P-C4' energy: -97.578
flat angles C4'-P-C4' energy: -104.102
flat angles P-C4'-P energy: -62.365
tors. eta vs tors. theta energy: -68.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -843.932427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.932427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.932427 (E_RNA)
where:
Base-Base interactions energy: -490.990
where: short stacking energy: -229.748
Base-Backbone interact. energy: -1.392
local terms energy: -351.550618
where:
bonds (distance) C4'-P energy: -79.380
bonds (distance) P-C4' energy: -86.145
flat angles C4'-P-C4' energy: -91.790
flat angles P-C4'-P energy: -47.123
tors. eta vs tors. theta energy: -47.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -407.019408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.019408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.019408 (E_RNA)
where:
Base-Base interactions energy: -141.708
where: short stacking energy: -98.310
Base-Backbone interact. energy: 5.712
local terms energy: -271.024038
where:
bonds (distance) C4'-P energy: -82.876
bonds (distance) P-C4' energy: -73.162
flat angles C4'-P-C4' energy: -87.108
flat angles P-C4'-P energy: -64.819
tors. eta vs tors. theta energy: 36.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1919.511267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.511267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.511267 (E_RNA)
where:
Base-Base interactions energy: -1296.217
where: short stacking energy: -573.821
Base-Backbone interact. energy: -3.788
local terms energy: -619.506670
where:
bonds (distance) C4'-P energy: -114.438
bonds (distance) P-C4' energy: -115.650
flat angles C4'-P-C4' energy: -133.359
flat angles P-C4'-P energy: -83.290
tors. eta vs tors. theta energy: -172.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1883.689531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.689531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.689531 (E_RNA)
where:
Base-Base interactions energy: -1289.578
where: short stacking energy: -564.517
Base-Backbone interact. energy: -2.400
local terms energy: -591.711562
where:
bonds (distance) C4'-P energy: -103.919
bonds (distance) P-C4' energy: -108.200
flat angles C4'-P-C4' energy: -126.108
flat angles P-C4'-P energy: -76.733
tors. eta vs tors. theta energy: -176.752
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: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1784.829860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.829860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.829860 (E_RNA)
where:
Base-Base interactions energy: -1227.244
where: short stacking energy: -512.976
Base-Backbone interact. energy: -0.371
local terms energy: -557.214004
where:
bonds (distance) C4'-P energy: -106.955
bonds (distance) P-C4' energy: -110.402
flat angles C4'-P-C4' energy: -114.378
flat angles P-C4'-P energy: -69.597
tors. eta vs tors. theta energy: -155.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1694.194452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.194452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.194452 (E_RNA)
where:
Base-Base interactions energy: -1141.867
where: short stacking energy: -491.273
Base-Backbone interact. energy: -3.643
local terms energy: -548.684981
where:
bonds (distance) C4'-P energy: -101.426
bonds (distance) P-C4' energy: -108.181
flat angles C4'-P-C4' energy: -110.026
flat angles P-C4'-P energy: -70.854
tors. eta vs tors. theta energy: -158.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1595.702394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.702394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.702394 (E_RNA)
where:
Base-Base interactions energy: -1108.967
where: short stacking energy: -463.383
Base-Backbone interact. energy: 1.541
local terms energy: -488.276511
where:
bonds (distance) C4'-P energy: -96.124
bonds (distance) P-C4' energy: -104.182
flat angles C4'-P-C4' energy: -111.371
flat angles P-C4'-P energy: -65.014
tors. eta vs tors. theta energy: -111.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1546.511724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.511724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.511724 (E_RNA)
where:
Base-Base interactions energy: -1067.855
where: short stacking energy: -452.529
Base-Backbone interact. energy: -1.716
local terms energy: -476.941604
where:
bonds (distance) C4'-P energy: -99.498
bonds (distance) P-C4' energy: -87.507
flat angles C4'-P-C4' energy: -115.751
flat angles P-C4'-P energy: -65.806
tors. eta vs tors. theta energy: -108.379
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: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1414.890998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.890998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.890998 (E_RNA)
where:
Base-Base interactions energy: -965.374
where: short stacking energy: -413.494
Base-Backbone interact. energy: -0.285
local terms energy: -449.232053
where:
bonds (distance) C4'-P energy: -74.010
bonds (distance) P-C4' energy: -94.974
flat angles C4'-P-C4' energy: -102.285
flat angles P-C4'-P energy: -71.019
tors. eta vs tors. theta energy: -106.945
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: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1318.665450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.665450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.665450 (E_RNA)
where:
Base-Base interactions energy: -899.386
where: short stacking energy: -398.485
Base-Backbone interact. energy: -1.469
local terms energy: -417.810521
where:
bonds (distance) C4'-P energy: -85.430
bonds (distance) P-C4' energy: -78.735
flat angles C4'-P-C4' energy: -99.486
flat angles P-C4'-P energy: -54.946
tors. eta vs tors. theta energy: -99.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -803.797357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.797357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.797357 (E_RNA)
where:
Base-Base interactions energy: -466.785
where: short stacking energy: -205.231
Base-Backbone interact. energy: -2.760
local terms energy: -334.252603
where:
bonds (distance) C4'-P energy: -87.738
bonds (distance) P-C4' energy: -92.323
flat angles C4'-P-C4' energy: -83.964
flat angles P-C4'-P energy: -54.201
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -438.133674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.133674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.133674 (E_RNA)
where:
Base-Base interactions energy: -172.414
where: short stacking energy: -101.620
Base-Backbone interact. energy: -1.807
local terms energy: -263.912514
where:
bonds (distance) C4'-P energy: -84.022
bonds (distance) P-C4' energy: -85.443
flat angles C4'-P-C4' energy: -78.680
flat angles P-C4'-P energy: -36.295
tors. eta vs tors. theta energy: 20.527
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: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1914.676152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.676152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.676152 (E_RNA)
where:
Base-Base interactions energy: -1320.979
where: short stacking energy: -572.519
Base-Backbone interact. energy: -3.120
local terms energy: -590.577209
where:
bonds (distance) C4'-P energy: -101.241
bonds (distance) P-C4' energy: -114.178
flat angles C4'-P-C4' energy: -123.896
flat angles P-C4'-P energy: -86.564
tors. eta vs tors. theta energy: -164.698
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: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1880.848093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.848093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.848093 (E_RNA)
where:
Base-Base interactions energy: -1299.077
where: short stacking energy: -560.767
Base-Backbone interact. energy: -1.145
local terms energy: -580.626459
where:
bonds (distance) C4'-P energy: -95.134
bonds (distance) P-C4' energy: -111.338
flat angles C4'-P-C4' energy: -118.885
flat angles P-C4'-P energy: -83.692
tors. eta vs tors. theta energy: -171.578
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: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1760.101971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.101971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.101971 (E_RNA)
where:
Base-Base interactions energy: -1199.918
where: short stacking energy: -517.557
Base-Backbone interact. energy: 0.502
local terms energy: -560.685679
where:
bonds (distance) C4'-P energy: -107.609
bonds (distance) P-C4' energy: -98.234
flat angles C4'-P-C4' energy: -125.030
flat angles P-C4'-P energy: -83.653
tors. eta vs tors. theta energy: -146.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1742.628371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.628371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.628371 (E_RNA)
where:
Base-Base interactions energy: -1203.599
where: short stacking energy: -519.855
Base-Backbone interact. energy: -0.240
local terms energy: -538.789441
where:
bonds (distance) C4'-P energy: -100.609
bonds (distance) P-C4' energy: -99.092
flat angles C4'-P-C4' energy: -109.780
flat angles P-C4'-P energy: -80.667
tors. eta vs tors. theta energy: -148.642
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: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1598.652901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.652901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.652901 (E_RNA)
where:
Base-Base interactions energy: -1069.486
where: short stacking energy: -473.788
Base-Backbone interact. energy: -1.831
local terms energy: -527.336098
where:
bonds (distance) C4'-P energy: -88.543
bonds (distance) P-C4' energy: -107.860
flat angles C4'-P-C4' energy: -115.475
flat angles P-C4'-P energy: -84.225
tors. eta vs tors. theta energy: -131.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1551.473177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.473177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.473177 (E_RNA)
where:
Base-Base interactions energy: -1076.182
where: short stacking energy: -471.572
Base-Backbone interact. energy: -3.017
local terms energy: -472.273793
where:
bonds (distance) C4'-P energy: -97.508
bonds (distance) P-C4' energy: -91.680
flat angles C4'-P-C4' energy: -96.048
flat angles P-C4'-P energy: -62.139
tors. eta vs tors. theta energy: -124.900
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: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1495.916734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.916734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.916734 (E_RNA)
where:
Base-Base interactions energy: -1012.545
where: short stacking energy: -418.245
Base-Backbone interact. energy: 7.078
local terms energy: -490.449663
where:
bonds (distance) C4'-P energy: -106.952
bonds (distance) P-C4' energy: -86.002
flat angles C4'-P-C4' energy: -119.881
flat angles P-C4'-P energy: -56.044
tors. eta vs tors. theta energy: -121.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1325.711797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.711797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.711797 (E_RNA)
where:
Base-Base interactions energy: -885.295
where: short stacking energy: -378.429
Base-Backbone interact. energy: -0.396
local terms energy: -440.020696
where:
bonds (distance) C4'-P energy: -82.929
bonds (distance) P-C4' energy: -97.192
flat angles C4'-P-C4' energy: -114.694
flat angles P-C4'-P energy: -66.699
tors. eta vs tors. theta energy: -78.507
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: -806.507939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.507939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.507939 (E_RNA)
where:
Base-Base interactions energy: -486.318
where: short stacking energy: -230.474
Base-Backbone interact. energy: -0.495
local terms energy: -319.695093
where:
bonds (distance) C4'-P energy: -87.341
bonds (distance) P-C4' energy: -84.794
flat angles C4'-P-C4' energy: -81.837
flat angles P-C4'-P energy: -34.955
tors. eta vs tors. theta energy: -30.767
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: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -430.212116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.212116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.212116 (E_RNA)
where:
Base-Base interactions energy: -129.846
where: short stacking energy: -110.533
Base-Backbone interact. energy: 0.825
local terms energy: -301.190221
where:
bonds (distance) C4'-P energy: -104.024
bonds (distance) P-C4' energy: -96.482
flat angles C4'-P-C4' energy: -83.056
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: 10.722
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: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1921.940817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.940817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.940817 (E_RNA)
where:
Base-Base interactions energy: -1323.870
where: short stacking energy: -566.368
Base-Backbone interact. energy: 1.541
local terms energy: -599.611371
where:
bonds (distance) C4'-P energy: -114.045
bonds (distance) P-C4' energy: -105.144
flat angles C4'-P-C4' energy: -121.021
flat angles P-C4'-P energy: -86.424
tors. eta vs tors. theta energy: -172.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1880.381579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.381579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.381579 (E_RNA)
where:
Base-Base interactions energy: -1298.150
where: short stacking energy: -556.408
Base-Backbone interact. energy: -1.912
local terms energy: -580.318788
where:
bonds (distance) C4'-P energy: -98.890
bonds (distance) P-C4' energy: -113.068
flat angles C4'-P-C4' energy: -118.620
flat angles P-C4'-P energy: -75.040
tors. eta vs tors. theta energy: -174.701
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: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1750.089630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.089630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.089630 (E_RNA)
where:
Base-Base interactions energy: -1201.871
where: short stacking energy: -515.566
Base-Backbone interact. energy: -2.844
local terms energy: -545.374818
where:
bonds (distance) C4'-P energy: -104.165
bonds (distance) P-C4' energy: -95.368
flat angles C4'-P-C4' energy: -122.136
flat angles P-C4'-P energy: -77.491
tors. eta vs tors. theta energy: -146.214
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: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1759.394171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.394171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.394171 (E_RNA)
where:
Base-Base interactions energy: -1194.384
where: short stacking energy: -504.429
Base-Backbone interact. energy: -2.168
local terms energy: -562.841751
where:
bonds (distance) C4'-P energy: -99.683
bonds (distance) P-C4' energy: -102.283
flat angles C4'-P-C4' energy: -113.685
flat angles P-C4'-P energy: -93.629
tors. eta vs tors. theta energy: -153.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1585.117893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.117893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.117893 (E_RNA)
where:
Base-Base interactions energy: -1078.445
where: short stacking energy: -455.789
Base-Backbone interact. energy: -3.178
local terms energy: -503.494327
where:
bonds (distance) C4'-P energy: -106.100
bonds (distance) P-C4' energy: -94.214
flat angles C4'-P-C4' energy: -116.975
flat angles P-C4'-P energy: -62.766
tors. eta vs tors. theta energy: -123.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1472.120089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.120089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.120089 (E_RNA)
where:
Base-Base interactions energy: -1028.832
where: short stacking energy: -421.677
Base-Backbone interact. energy: 5.787
local terms energy: -449.075523
where:
bonds (distance) C4'-P energy: -87.440
bonds (distance) P-C4' energy: -94.032
flat angles C4'-P-C4' energy: -95.145
flat angles P-C4'-P energy: -64.339
tors. eta vs tors. theta energy: -108.120
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: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1519.573108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.573108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.573108 (E_RNA)
where:
Base-Base interactions energy: -1030.497
where: short stacking energy: -441.703
Base-Backbone interact. energy: -2.301
local terms energy: -486.775192
where:
bonds (distance) C4'-P energy: -92.720
bonds (distance) P-C4' energy: -101.772
flat angles C4'-P-C4' energy: -97.652
flat angles P-C4'-P energy: -64.054
tors. eta vs tors. theta energy: -130.577
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: 427
Temperature: 1.250000
Total energy: -1251.173913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.173913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.173913 (E_RNA)
where:
Base-Base interactions energy: -818.685
where: short stacking energy: -356.832
Base-Backbone interact. energy: -1.441
local terms energy: -431.047862
where:
bonds (distance) C4'-P energy: -82.085
bonds (distance) P-C4' energy: -94.245
flat angles C4'-P-C4' energy: -99.302
flat angles P-C4'-P energy: -77.239
tors. eta vs tors. theta energy: -78.177
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: 427
Temperature: 1.300000
Total energy: -812.661950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.661950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.661950 (E_RNA)
where:
Base-Base interactions energy: -472.787
where: short stacking energy: -246.962
Base-Backbone interact. energy: 4.562
local terms energy: -344.436224
where:
bonds (distance) C4'-P energy: -91.085
bonds (distance) P-C4' energy: -90.330
flat angles C4'-P-C4' energy: -93.933
flat angles P-C4'-P energy: -43.515
tors. eta vs tors. theta energy: -25.573
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: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -414.293861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.293861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.293861 (E_RNA)
where:
Base-Base interactions energy: -156.692
where: short stacking energy: -122.713
Base-Backbone interact. energy: -1.341
local terms energy: -256.261096
where:
bonds (distance) C4'-P energy: -71.169
bonds (distance) P-C4' energy: -94.427
flat angles C4'-P-C4' energy: -75.958
flat angles P-C4'-P energy: -31.238
tors. eta vs tors. theta energy: 16.531
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: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1912.117038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.117038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.117038 (E_RNA)
where:
Base-Base interactions energy: -1333.863
where: short stacking energy: -576.901
Base-Backbone interact. energy: 2.959
local terms energy: -581.213298
where:
bonds (distance) C4'-P energy: -103.250
bonds (distance) P-C4' energy: -103.850
flat angles C4'-P-C4' energy: -118.975
flat angles P-C4'-P energy: -87.968
tors. eta vs tors. theta energy: -167.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1858.445317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.445317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.445317 (E_RNA)
where:
Base-Base interactions energy: -1303.689
where: short stacking energy: -561.318
Base-Backbone interact. energy: -1.447
local terms energy: -553.309581
where:
bonds (distance) C4'-P energy: -104.735
bonds (distance) P-C4' energy: -93.317
flat angles C4'-P-C4' energy: -115.968
flat angles P-C4'-P energy: -76.220
tors. eta vs tors. theta energy: -163.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1752.889492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.889492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.889492 (E_RNA)
where:
Base-Base interactions energy: -1201.867
where: short stacking energy: -512.151
Base-Backbone interact. energy: -2.173
local terms energy: -548.848780
where:
bonds (distance) C4'-P energy: -109.035
bonds (distance) P-C4' energy: -100.310
flat angles C4'-P-C4' energy: -111.914
flat angles P-C4'-P energy: -75.265
tors. eta vs tors. theta energy: -152.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1723.870880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.870880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.870880 (E_RNA)
where:
Base-Base interactions energy: -1180.443
where: short stacking energy: -494.016
Base-Backbone interact. energy: 1.012
local terms energy: -544.439726
where:
bonds (distance) C4'-P energy: -90.145
bonds (distance) P-C4' energy: -104.360
flat angles C4'-P-C4' energy: -115.701
flat angles P-C4'-P energy: -78.558
tors. eta vs tors. theta energy: -155.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1588.558951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.558951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.558951 (E_RNA)
where:
Base-Base interactions energy: -1106.122
where: short stacking energy: -490.827
Base-Backbone interact. energy: -1.821
local terms energy: -480.615799
where:
bonds (distance) C4'-P energy: -70.111
bonds (distance) P-C4' energy: -96.003
flat angles C4'-P-C4' energy: -109.926
flat angles P-C4'-P energy: -75.920
tors. eta vs tors. theta energy: -128.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1476.427930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.427930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.427930 (E_RNA)
where:
Base-Base interactions energy: -1005.042
where: short stacking energy: -452.207
Base-Backbone interact. energy: 3.306
local terms energy: -474.691329
where:
bonds (distance) C4'-P energy: -95.223
bonds (distance) P-C4' energy: -88.811
flat angles C4'-P-C4' energy: -113.082
flat angles P-C4'-P energy: -59.959
tors. eta vs tors. theta energy: -117.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1515.439234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.439234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.439234 (E_RNA)
where:
Base-Base interactions energy: -1043.984
where: short stacking energy: -430.319
Base-Backbone interact. energy: -3.180
local terms energy: -468.274476
where:
bonds (distance) C4'-P energy: -82.849
bonds (distance) P-C4' energy: -92.183
flat angles C4'-P-C4' energy: -108.639
flat angles P-C4'-P energy: -59.066
tors. eta vs tors. theta energy: -125.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1289.562456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.562456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.562456 (E_RNA)
where:
Base-Base interactions energy: -875.052
where: short stacking energy: -374.740
Base-Backbone interact. energy: -2.037
local terms energy: -412.472986
where:
bonds (distance) C4'-P energy: -77.809
bonds (distance) P-C4' energy: -77.480
flat angles C4'-P-C4' energy: -105.972
flat angles P-C4'-P energy: -60.747
tors. eta vs tors. theta energy: -90.464
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: 428
Temperature: 1.300000
Total energy: -791.204016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.204016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.204016 (E_RNA)
where:
Base-Base interactions energy: -456.283
where: short stacking energy: -214.692
Base-Backbone interact. energy: -2.306
local terms energy: -332.614104
where:
bonds (distance) C4'-P energy: -80.918
bonds (distance) P-C4' energy: -88.062
flat angles C4'-P-C4' energy: -80.302
flat angles P-C4'-P energy: -63.514
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -421.635495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.635495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.635495 (E_RNA)
where:
Base-Base interactions energy: -138.926
where: short stacking energy: -121.861
Base-Backbone interact. energy: 1.430
local terms energy: -284.140050
where:
bonds (distance) C4'-P energy: -83.864
bonds (distance) P-C4' energy: -99.934
flat angles C4'-P-C4' energy: -66.435
flat angles P-C4'-P energy: -48.457
tors. eta vs tors. theta energy: 14.551
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: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1930.156325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.156325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.156325 (E_RNA)
where:
Base-Base interactions energy: -1342.890
where: short stacking energy: -589.870
Base-Backbone interact. energy: -1.514
local terms energy: -585.752688
where:
bonds (distance) C4'-P energy: -103.914
bonds (distance) P-C4' energy: -114.619
flat angles C4'-P-C4' energy: -116.250
flat angles P-C4'-P energy: -84.045
tors. eta vs tors. theta energy: -166.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1901.981672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.981672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.981672 (E_RNA)
where:
Base-Base interactions energy: -1286.218
where: short stacking energy: -553.791
Base-Backbone interact. energy: -2.310
local terms energy: -613.453527
where:
bonds (distance) C4'-P energy: -117.114
bonds (distance) P-C4' energy: -112.732
flat angles C4'-P-C4' energy: -131.915
flat angles P-C4'-P energy: -82.478
tors. eta vs tors. theta energy: -169.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1756.922270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.922270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.922270 (E_RNA)
where:
Base-Base interactions energy: -1201.427
where: short stacking energy: -521.665
Base-Backbone interact. energy: 1.994
local terms energy: -557.489554
where:
bonds (distance) C4'-P energy: -109.549
bonds (distance) P-C4' energy: -98.902
flat angles C4'-P-C4' energy: -109.587
flat angles P-C4'-P energy: -83.248
tors. eta vs tors. theta energy: -156.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1671.700613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.700613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.700613 (E_RNA)
where:
Base-Base interactions energy: -1143.887
where: short stacking energy: -488.779
Base-Backbone interact. energy: -1.194
local terms energy: -526.619982
where:
bonds (distance) C4'-P energy: -111.610
bonds (distance) P-C4' energy: -86.841
flat angles C4'-P-C4' energy: -111.159
flat angles P-C4'-P energy: -67.010
tors. eta vs tors. theta energy: -150.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1602.167470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.167470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.167470 (E_RNA)
where:
Base-Base interactions energy: -1068.097
where: short stacking energy: -473.278
Base-Backbone interact. energy: 1.479
local terms energy: -535.549469
where:
bonds (distance) C4'-P energy: -106.319
bonds (distance) P-C4' energy: -105.429
flat angles C4'-P-C4' energy: -115.439
flat angles P-C4'-P energy: -80.903
tors. eta vs tors. theta energy: -127.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1516.810190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.810190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.810190 (E_RNA)
where:
Base-Base interactions energy: -1031.540
where: short stacking energy: -434.164
Base-Backbone interact. energy: -2.325
local terms energy: -482.945806
where:
bonds (distance) C4'-P energy: -90.508
bonds (distance) P-C4' energy: -86.084
flat angles C4'-P-C4' energy: -111.687
flat angles P-C4'-P energy: -78.547
tors. eta vs tors. theta energy: -116.120
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: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1469.130667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.130667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.130667 (E_RNA)
where:
Base-Base interactions energy: -1000.144
where: short stacking energy: -408.893
Base-Backbone interact. energy: -3.207
local terms energy: -465.779638
where:
bonds (distance) C4'-P energy: -100.863
bonds (distance) P-C4' energy: -95.996
flat angles C4'-P-C4' energy: -113.249
flat angles P-C4'-P energy: -57.401
tors. eta vs tors. theta energy: -98.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1267.568986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.568986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.568986 (E_RNA)
where:
Base-Base interactions energy: -857.341
where: short stacking energy: -362.514
Base-Backbone interact. energy: -2.001
local terms energy: -408.226322
where:
bonds (distance) C4'-P energy: -73.417
bonds (distance) P-C4' energy: -91.752
flat angles C4'-P-C4' energy: -100.601
flat angles P-C4'-P energy: -57.619
tors. eta vs tors. theta energy: -84.838
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: 429
Temperature: 1.300000
Total energy: -847.821969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.821969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.821969 (E_RNA)
where:
Base-Base interactions energy: -523.783
where: short stacking energy: -238.812
Base-Backbone interact. energy: 3.098
local terms energy: -327.136988
where:
bonds (distance) C4'-P energy: -82.012
bonds (distance) P-C4' energy: -84.270
flat angles C4'-P-C4' energy: -83.197
flat angles P-C4'-P energy: -43.881
tors. eta vs tors. theta energy: -33.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -408.282701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.282701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.282701 (E_RNA)
where:
Base-Base interactions energy: -121.160
where: short stacking energy: -112.230
Base-Backbone interact. energy: 4.658
local terms energy: -291.780429
where:
bonds (distance) C4'-P energy: -87.590
bonds (distance) P-C4' energy: -101.312
flat angles C4'-P-C4' energy: -81.812
flat angles P-C4'-P energy: -46.021
tors. eta vs tors. theta energy: 24.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1919.475837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.475837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.475837 (E_RNA)
where:
Base-Base interactions energy: -1316.642
where: short stacking energy: -585.423
Base-Backbone interact. energy: -3.009
local terms energy: -599.824959
where:
bonds (distance) C4'-P energy: -105.929
bonds (distance) P-C4' energy: -108.452
flat angles C4'-P-C4' energy: -133.965
flat angles P-C4'-P energy: -78.841
tors. eta vs tors. theta energy: -172.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1879.069243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.069243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.069243 (E_RNA)
where:
Base-Base interactions energy: -1302.023
where: short stacking energy: -544.986
Base-Backbone interact. energy: -2.244
local terms energy: -574.802326
where:
bonds (distance) C4'-P energy: -100.182
bonds (distance) P-C4' energy: -108.748
flat angles C4'-P-C4' energy: -119.094
flat angles P-C4'-P energy: -84.100
tors. eta vs tors. theta energy: -162.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1733.249494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.249494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.249494 (E_RNA)
where:
Base-Base interactions energy: -1168.026
where: short stacking energy: -515.867
Base-Backbone interact. energy: -2.759
local terms energy: -562.464468
where:
bonds (distance) C4'-P energy: -101.957
bonds (distance) P-C4' energy: -117.118
flat angles C4'-P-C4' energy: -119.854
flat angles P-C4'-P energy: -74.089
tors. eta vs tors. theta energy: -149.446
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: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1700.433351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.433351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.433351 (E_RNA)
where:
Base-Base interactions energy: -1184.623
where: short stacking energy: -504.730
Base-Backbone interact. energy: -2.620
local terms energy: -513.189811
where:
bonds (distance) C4'-P energy: -94.295
bonds (distance) P-C4' energy: -97.853
flat angles C4'-P-C4' energy: -109.724
flat angles P-C4'-P energy: -73.128
tors. eta vs tors. theta energy: -138.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1590.911283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.911283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.911283 (E_RNA)
where:
Base-Base interactions energy: -1074.037
where: short stacking energy: -477.806
Base-Backbone interact. energy: -1.120
local terms energy: -515.755119
where:
bonds (distance) C4'-P energy: -105.352
bonds (distance) P-C4' energy: -98.586
flat angles C4'-P-C4' energy: -108.335
flat angles P-C4'-P energy: -73.012
tors. eta vs tors. theta energy: -130.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1476.718900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.718900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.718900 (E_RNA)
where:
Base-Base interactions energy: -987.733
where: short stacking energy: -431.507
Base-Backbone interact. energy: 5.944
local terms energy: -494.929999
where:
bonds (distance) C4'-P energy: -102.872
bonds (distance) P-C4' energy: -103.127
flat angles C4'-P-C4' energy: -113.422
flat angles P-C4'-P energy: -58.624
tors. eta vs tors. theta energy: -116.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1485.560765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.560765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.560765 (E_RNA)
where:
Base-Base interactions energy: -1017.492
where: short stacking energy: -418.468
Base-Backbone interact. energy: 7.288
local terms energy: -475.356756
where:
bonds (distance) C4'-P energy: -99.466
bonds (distance) P-C4' energy: -100.106
flat angles C4'-P-C4' energy: -99.453
flat angles P-C4'-P energy: -70.689
tors. eta vs tors. theta energy: -105.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1217.624373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.624373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.624373 (E_RNA)
where:
Base-Base interactions energy: -843.487
where: short stacking energy: -358.183
Base-Backbone interact. energy: -1.567
local terms energy: -372.570466
where:
bonds (distance) C4'-P energy: -80.549
bonds (distance) P-C4' energy: -66.029
flat angles C4'-P-C4' energy: -99.895
flat angles P-C4'-P energy: -52.086
tors. eta vs tors. theta energy: -74.011
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: 430
Temperature: 1.300000
Total energy: -917.899357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.899357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.899357 (E_RNA)
where:
Base-Base interactions energy: -531.707
where: short stacking energy: -232.784
Base-Backbone interact. energy: 0.944
local terms energy: -387.136212
where:
bonds (distance) C4'-P energy: -100.688
bonds (distance) P-C4' energy: -105.447
flat angles C4'-P-C4' energy: -93.774
flat angles P-C4'-P energy: -45.950
tors. eta vs tors. theta energy: -41.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -430.867916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.867916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.867916 (E_RNA)
where:
Base-Base interactions energy: -171.367
where: short stacking energy: -146.073
Base-Backbone interact. energy: 1.041
local terms energy: -260.541629
where:
bonds (distance) C4'-P energy: -84.088
bonds (distance) P-C4' energy: -88.501
flat angles C4'-P-C4' energy: -67.730
flat angles P-C4'-P energy: -41.418
tors. eta vs tors. theta energy: 21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1972.010483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.010483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.010483 (E_RNA)
where:
Base-Base interactions energy: -1364.733
where: short stacking energy: -590.587
Base-Backbone interact. energy: -2.970
local terms energy: -604.307869
where:
bonds (distance) C4'-P energy: -109.065
bonds (distance) P-C4' energy: -105.338
flat angles C4'-P-C4' energy: -131.093
flat angles P-C4'-P energy: -88.524
tors. eta vs tors. theta energy: -170.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1880.794435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.794435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.794435 (E_RNA)
where:
Base-Base interactions energy: -1286.585
where: short stacking energy: -566.746
Base-Backbone interact. energy: -0.611
local terms energy: -593.597792
where:
bonds (distance) C4'-P energy: -114.231
bonds (distance) P-C4' energy: -110.940
flat angles C4'-P-C4' energy: -117.090
flat angles P-C4'-P energy: -79.261
tors. eta vs tors. theta energy: -172.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1782.092981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.092981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.092981 (E_RNA)
where:
Base-Base interactions energy: -1214.115
where: short stacking energy: -534.518
Base-Backbone interact. energy: -1.557
local terms energy: -566.420376
where:
bonds (distance) C4'-P energy: -100.438
bonds (distance) P-C4' energy: -111.061
flat angles C4'-P-C4' energy: -118.755
flat angles P-C4'-P energy: -82.453
tors. eta vs tors. theta energy: -153.714
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: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1724.725974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.725974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.725974 (E_RNA)
where:
Base-Base interactions energy: -1174.191
where: short stacking energy: -518.937
Base-Backbone interact. energy: -2.595
local terms energy: -547.939876
where:
bonds (distance) C4'-P energy: -94.597
bonds (distance) P-C4' energy: -101.494
flat angles C4'-P-C4' energy: -114.522
flat angles P-C4'-P energy: -81.355
tors. eta vs tors. theta energy: -155.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1610.748210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.748210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.748210 (E_RNA)
where:
Base-Base interactions energy: -1059.907
where: short stacking energy: -452.977
Base-Backbone interact. energy: -0.234
local terms energy: -550.607599
where:
bonds (distance) C4'-P energy: -101.153
bonds (distance) P-C4' energy: -115.530
flat angles C4'-P-C4' energy: -116.961
flat angles P-C4'-P energy: -80.921
tors. eta vs tors. theta energy: -136.043
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: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1508.087457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.087457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.087457 (E_RNA)
where:
Base-Base interactions energy: -1018.673
where: short stacking energy: -442.346
Base-Backbone interact. energy: 0.326
local terms energy: -489.739886
where:
bonds (distance) C4'-P energy: -87.703
bonds (distance) P-C4' energy: -107.821
flat angles C4'-P-C4' energy: -103.490
flat angles P-C4'-P energy: -70.945
tors. eta vs tors. theta energy: -119.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1444.003081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.003081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.003081 (E_RNA)
where:
Base-Base interactions energy: -993.070
where: short stacking energy: -438.123
Base-Backbone interact. energy: -2.036
local terms energy: -448.897016
where:
bonds (distance) C4'-P energy: -85.712
bonds (distance) P-C4' energy: -92.246
flat angles C4'-P-C4' energy: -95.932
flat angles P-C4'-P energy: -57.328
tors. eta vs tors. theta energy: -117.680
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: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1247.231249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.231249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.231249 (E_RNA)
where:
Base-Base interactions energy: -826.445
where: short stacking energy: -354.705
Base-Backbone interact. energy: 1.873
local terms energy: -422.659530
where:
bonds (distance) C4'-P energy: -96.502
bonds (distance) P-C4' energy: -91.453
flat angles C4'-P-C4' energy: -103.598
flat angles P-C4'-P energy: -68.103
tors. eta vs tors. theta energy: -63.003
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: 431
Temperature: 1.300000
Total energy: -937.918887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.918887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.918887 (E_RNA)
where:
Base-Base interactions energy: -566.913
where: short stacking energy: -259.616
Base-Backbone interact. energy: -0.657
local terms energy: -370.349485
where:
bonds (distance) C4'-P energy: -95.373
bonds (distance) P-C4' energy: -102.847
flat angles C4'-P-C4' energy: -80.090
flat angles P-C4'-P energy: -48.457
tors. eta vs tors. theta energy: -43.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -430.568356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.568356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.568356 (E_RNA)
where:
Base-Base interactions energy: -137.983
where: short stacking energy: -126.878
Base-Backbone interact. energy: 0.238
local terms energy: -292.823733
where:
bonds (distance) C4'-P energy: -78.580
bonds (distance) P-C4' energy: -99.741
flat angles C4'-P-C4' energy: -80.757
flat angles P-C4'-P energy: -43.824
tors. eta vs tors. theta energy: 10.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1942.680663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.680663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.680663 (E_RNA)
where:
Base-Base interactions energy: -1346.106
where: short stacking energy: -562.422
Base-Backbone interact. energy: -2.959
local terms energy: -593.615603
where:
bonds (distance) C4'-P energy: -93.031
bonds (distance) P-C4' energy: -111.323
flat angles C4'-P-C4' energy: -129.599
flat angles P-C4'-P energy: -91.508
tors. eta vs tors. theta energy: -168.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1862.925356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.925356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.925356 (E_RNA)
where:
Base-Base interactions energy: -1269.509
where: short stacking energy: -559.011
Base-Backbone interact. energy: -1.387
local terms energy: -592.028999
where:
bonds (distance) C4'-P energy: -109.086
bonds (distance) P-C4' energy: -119.286
flat angles C4'-P-C4' energy: -115.356
flat angles P-C4'-P energy: -77.914
tors. eta vs tors. theta energy: -170.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1738.440072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.440072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.440072 (E_RNA)
where:
Base-Base interactions energy: -1193.385
where: short stacking energy: -502.823
Base-Backbone interact. energy: -5.773
local terms energy: -539.282225
where:
bonds (distance) C4'-P energy: -110.366
bonds (distance) P-C4' energy: -98.869
flat angles C4'-P-C4' energy: -105.896
flat angles P-C4'-P energy: -83.215
tors. eta vs tors. theta energy: -140.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1699.941252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.941252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.941252 (E_RNA)
where:
Base-Base interactions energy: -1177.353
where: short stacking energy: -510.447
Base-Backbone interact. energy: -2.794
local terms energy: -519.794673
where:
bonds (distance) C4'-P energy: -92.707
bonds (distance) P-C4' energy: -104.746
flat angles C4'-P-C4' energy: -104.619
flat angles P-C4'-P energy: -74.851
tors. eta vs tors. theta energy: -142.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1577.664526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.664526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.664526 (E_RNA)
where:
Base-Base interactions energy: -1055.190
where: short stacking energy: -484.915
Base-Backbone interact. energy: 1.265
local terms energy: -523.738893
where:
bonds (distance) C4'-P energy: -95.415
bonds (distance) P-C4' energy: -102.886
flat angles C4'-P-C4' energy: -111.677
flat angles P-C4'-P energy: -79.201
tors. eta vs tors. theta energy: -134.559
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: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1528.512060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.512060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.512060 (E_RNA)
where:
Base-Base interactions energy: -1049.581
where: short stacking energy: -447.095
Base-Backbone interact. energy: -1.962
local terms energy: -476.968569
where:
bonds (distance) C4'-P energy: -89.209
bonds (distance) P-C4' energy: -84.249
flat angles C4'-P-C4' energy: -113.252
flat angles P-C4'-P energy: -61.679
tors. eta vs tors. theta energy: -128.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1431.113165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.113165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.113165 (E_RNA)
where:
Base-Base interactions energy: -964.116
where: short stacking energy: -422.972
Base-Backbone interact. energy: 3.999
local terms energy: -470.996620
where:
bonds (distance) C4'-P energy: -94.910
bonds (distance) P-C4' energy: -89.430
flat angles C4'-P-C4' energy: -108.613
flat angles P-C4'-P energy: -68.129
tors. eta vs tors. theta energy: -109.915
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: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1242.457366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.457366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.457366 (E_RNA)
where:
Base-Base interactions energy: -824.398
where: short stacking energy: -346.087
Base-Backbone interact. energy: -0.777
local terms energy: -417.282533
where:
bonds (distance) C4'-P energy: -75.125
bonds (distance) P-C4' energy: -107.035
flat angles C4'-P-C4' energy: -96.172
flat angles P-C4'-P energy: -65.033
tors. eta vs tors. theta energy: -73.918
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: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -919.070624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.070624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.070624 (E_RNA)
where:
Base-Base interactions energy: -596.572
where: short stacking energy: -267.142
Base-Backbone interact. energy: 1.854
local terms energy: -324.352214
where:
bonds (distance) C4'-P energy: -73.373
bonds (distance) P-C4' energy: -81.505
flat angles C4'-P-C4' energy: -79.579
flat angles P-C4'-P energy: -49.767
tors. eta vs tors. theta energy: -40.128
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: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -514.093527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.093527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.093527 (E_RNA)
where:
Base-Base interactions energy: -207.438
where: short stacking energy: -154.178
Base-Backbone interact. energy: 0.894
local terms energy: -307.550083
where:
bonds (distance) C4'-P energy: -83.566
bonds (distance) P-C4' energy: -104.364
flat angles C4'-P-C4' energy: -76.400
flat angles P-C4'-P energy: -46.394
tors. eta vs tors. theta energy: 3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1952.871462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.871462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.871462 (E_RNA)
where:
Base-Base interactions energy: -1368.555
where: short stacking energy: -572.668
Base-Backbone interact. energy: 1.137
local terms energy: -585.453350
where:
bonds (distance) C4'-P energy: -96.724
bonds (distance) P-C4' energy: -110.317
flat angles C4'-P-C4' energy: -121.157
flat angles P-C4'-P energy: -89.232
tors. eta vs tors. theta energy: -168.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1894.771842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.771842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.771842 (E_RNA)
where:
Base-Base interactions energy: -1274.483
where: short stacking energy: -569.503
Base-Backbone interact. energy: -4.276
local terms energy: -616.013503
where:
bonds (distance) C4'-P energy: -108.893
bonds (distance) P-C4' energy: -115.245
flat angles C4'-P-C4' energy: -130.247
flat angles P-C4'-P energy: -84.611
tors. eta vs tors. theta energy: -177.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1735.203331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.203331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.203331 (E_RNA)
where:
Base-Base interactions energy: -1189.437
where: short stacking energy: -536.905
Base-Backbone interact. energy: -2.238
local terms energy: -543.528683
where:
bonds (distance) C4'-P energy: -92.180
bonds (distance) P-C4' energy: -102.834
flat angles C4'-P-C4' energy: -114.488
flat angles P-C4'-P energy: -73.796
tors. eta vs tors. theta energy: -160.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1708.771639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.771639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.771639 (E_RNA)
where:
Base-Base interactions energy: -1174.380
where: short stacking energy: -524.839
Base-Backbone interact. energy: -3.844
local terms energy: -530.547864
where:
bonds (distance) C4'-P energy: -96.566
bonds (distance) P-C4' energy: -101.432
flat angles C4'-P-C4' energy: -114.954
flat angles P-C4'-P energy: -71.846
tors. eta vs tors. theta energy: -145.750
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: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1619.557032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.557032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.557032 (E_RNA)
where:
Base-Base interactions energy: -1112.140
where: short stacking energy: -469.747
Base-Backbone interact. energy: -2.476
local terms energy: -504.941769
where:
bonds (distance) C4'-P energy: -101.815
bonds (distance) P-C4' energy: -95.105
flat angles C4'-P-C4' energy: -97.775
flat angles P-C4'-P energy: -82.920
tors. eta vs tors. theta energy: -127.326
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: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1535.854274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.854274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.854274 (E_RNA)
where:
Base-Base interactions energy: -1053.247
where: short stacking energy: -446.785
Base-Backbone interact. energy: -0.971
local terms energy: -481.635861
where:
bonds (distance) C4'-P energy: -91.161
bonds (distance) P-C4' energy: -103.895
flat angles C4'-P-C4' energy: -113.489
flat angles P-C4'-P energy: -51.842
tors. eta vs tors. theta energy: -121.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1439.987251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.987251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.987251 (E_RNA)
where:
Base-Base interactions energy: -1006.240
where: short stacking energy: -426.170
Base-Backbone interact. energy: -4.700
local terms energy: -429.047693
where:
bonds (distance) C4'-P energy: -79.203
bonds (distance) P-C4' energy: -93.391
flat angles C4'-P-C4' energy: -111.171
flat angles P-C4'-P energy: -41.884
tors. eta vs tors. theta energy: -103.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1292.134273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.134273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.134273 (E_RNA)
where:
Base-Base interactions energy: -864.960
where: short stacking energy: -380.667
Base-Backbone interact. energy: -0.835
local terms energy: -426.339722
where:
bonds (distance) C4'-P energy: -104.285
bonds (distance) P-C4' energy: -69.756
flat angles C4'-P-C4' energy: -96.014
flat angles P-C4'-P energy: -61.789
tors. eta vs tors. theta energy: -94.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -880.911160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.911160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.911160 (E_RNA)
where:
Base-Base interactions energy: -521.662
where: short stacking energy: -269.983
Base-Backbone interact. energy: 2.248
local terms energy: -361.496339
where:
bonds (distance) C4'-P energy: -78.843
bonds (distance) P-C4' energy: -87.627
flat angles C4'-P-C4' energy: -94.533
flat angles P-C4'-P energy: -57.542
tors. eta vs tors. theta energy: -42.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -486.062868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.062868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.062868 (E_RNA)
where:
Base-Base interactions energy: -214.618
where: short stacking energy: -148.215
Base-Backbone interact. energy: 2.432
local terms energy: -273.876899
where:
bonds (distance) C4'-P energy: -67.356
bonds (distance) P-C4' energy: -98.445
flat angles C4'-P-C4' energy: -81.944
flat angles P-C4'-P energy: -42.294
tors. eta vs tors. theta energy: 16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1938.347729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.347729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.347729 (E_RNA)
where:
Base-Base interactions energy: -1333.132
where: short stacking energy: -587.093
Base-Backbone interact. energy: -1.843
local terms energy: -603.372345
where:
bonds (distance) C4'-P energy: -102.288
bonds (distance) P-C4' energy: -107.290
flat angles C4'-P-C4' energy: -127.091
flat angles P-C4'-P energy: -92.059
tors. eta vs tors. theta energy: -174.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1877.387455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.387455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.387455 (E_RNA)
where:
Base-Base interactions energy: -1314.038
where: short stacking energy: -582.936
Base-Backbone interact. energy: -3.807
local terms energy: -559.543000
where:
bonds (distance) C4'-P energy: -85.750
bonds (distance) P-C4' energy: -98.957
flat angles C4'-P-C4' energy: -120.950
flat angles P-C4'-P energy: -83.513
tors. eta vs tors. theta energy: -170.373
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: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1713.311038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.311038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.311038 (E_RNA)
where:
Base-Base interactions energy: -1173.045
where: short stacking energy: -507.820
Base-Backbone interact. energy: -2.871
local terms energy: -537.395224
where:
bonds (distance) C4'-P energy: -103.973
bonds (distance) P-C4' energy: -96.473
flat angles C4'-P-C4' energy: -116.472
flat angles P-C4'-P energy: -79.150
tors. eta vs tors. theta energy: -141.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1666.914895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.914895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.914895 (E_RNA)
where:
Base-Base interactions energy: -1148.679
where: short stacking energy: -491.841
Base-Backbone interact. energy: -3.979
local terms energy: -514.256605
where:
bonds (distance) C4'-P energy: -98.756
bonds (distance) P-C4' energy: -90.049
flat angles C4'-P-C4' energy: -105.657
flat angles P-C4'-P energy: -75.700
tors. eta vs tors. theta energy: -144.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1625.915720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.915720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.915720 (E_RNA)
where:
Base-Base interactions energy: -1109.173
where: short stacking energy: -467.108
Base-Backbone interact. energy: -1.911
local terms energy: -514.831883
where:
bonds (distance) C4'-P energy: -99.323
bonds (distance) P-C4' energy: -96.271
flat angles C4'-P-C4' energy: -103.519
flat angles P-C4'-P energy: -71.260
tors. eta vs tors. theta energy: -144.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1521.105893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.105893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.105893 (E_RNA)
where:
Base-Base interactions energy: -1034.944
where: short stacking energy: -445.769
Base-Backbone interact. energy: -2.749
local terms energy: -483.412948
where:
bonds (distance) C4'-P energy: -99.381
bonds (distance) P-C4' energy: -82.847
flat angles C4'-P-C4' energy: -101.478
flat angles P-C4'-P energy: -76.786
tors. eta vs tors. theta energy: -122.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1499.882076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.882076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.882076 (E_RNA)
where:
Base-Base interactions energy: -1010.087
where: short stacking energy: -442.359
Base-Backbone interact. energy: -2.072
local terms energy: -487.723371
where:
bonds (distance) C4'-P energy: -80.768
bonds (distance) P-C4' energy: -112.337
flat angles C4'-P-C4' energy: -114.270
flat angles P-C4'-P energy: -59.747
tors. eta vs tors. theta energy: -120.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1335.815462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.815462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.815462 (E_RNA)
where:
Base-Base interactions energy: -895.731
where: short stacking energy: -353.466
Base-Backbone interact. energy: -2.614
local terms energy: -437.470198
where:
bonds (distance) C4'-P energy: -100.799
bonds (distance) P-C4' energy: -87.287
flat angles C4'-P-C4' energy: -102.754
flat angles P-C4'-P energy: -62.511
tors. eta vs tors. theta energy: -84.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -862.988774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.988774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.988774 (E_RNA)
where:
Base-Base interactions energy: -528.029
where: short stacking energy: -242.934
Base-Backbone interact. energy: 0.237
local terms energy: -335.197578
where:
bonds (distance) C4'-P energy: -76.379
bonds (distance) P-C4' energy: -92.413
flat angles C4'-P-C4' energy: -77.715
flat angles P-C4'-P energy: -54.859
tors. eta vs tors. theta energy: -33.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -462.274419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.274419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.274419 (E_RNA)
where:
Base-Base interactions energy: -175.830
where: short stacking energy: -117.097
Base-Backbone interact. energy: 1.675
local terms energy: -288.119182
where:
bonds (distance) C4'-P energy: -90.815
bonds (distance) P-C4' energy: -90.626
flat angles C4'-P-C4' energy: -79.184
flat angles P-C4'-P energy: -48.757
tors. eta vs tors. theta energy: 21.263
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: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1948.353730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.353730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.353730 (E_RNA)
where:
Base-Base interactions energy: -1331.783
where: short stacking energy: -580.270
Base-Backbone interact. energy: -1.217
local terms energy: -615.353570
where:
bonds (distance) C4'-P energy: -100.646
bonds (distance) P-C4' energy: -119.850
flat angles C4'-P-C4' energy: -122.759
flat angles P-C4'-P energy: -94.155
tors. eta vs tors. theta energy: -177.944
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: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1882.586908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.586908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.586908 (E_RNA)
where:
Base-Base interactions energy: -1285.346
where: short stacking energy: -568.308
Base-Backbone interact. energy: 0.309
local terms energy: -597.549671
where:
bonds (distance) C4'-P energy: -96.140
bonds (distance) P-C4' energy: -110.976
flat angles C4'-P-C4' energy: -129.648
flat angles P-C4'-P energy: -80.687
tors. eta vs tors. theta energy: -180.098
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: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1768.471899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.471899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.471899 (E_RNA)
where:
Base-Base interactions energy: -1202.067
where: short stacking energy: -504.466
Base-Backbone interact. energy: 0.516
local terms energy: -566.920254
where:
bonds (distance) C4'-P energy: -106.620
bonds (distance) P-C4' energy: -107.240
flat angles C4'-P-C4' energy: -128.261
flat angles P-C4'-P energy: -81.011
tors. eta vs tors. theta energy: -143.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1682.273052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.273052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.273052 (E_RNA)
where:
Base-Base interactions energy: -1136.264
where: short stacking energy: -483.277
Base-Backbone interact. energy: -0.829
local terms energy: -545.180406
where:
bonds (distance) C4'-P energy: -99.657
bonds (distance) P-C4' energy: -96.380
flat angles C4'-P-C4' energy: -122.181
flat angles P-C4'-P energy: -85.441
tors. eta vs tors. theta energy: -141.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1633.641635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.641635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.641635 (E_RNA)
where:
Base-Base interactions energy: -1116.634
where: short stacking energy: -490.804
Base-Backbone interact. energy: -0.599
local terms energy: -516.408525
where:
bonds (distance) C4'-P energy: -95.626
bonds (distance) P-C4' energy: -85.600
flat angles C4'-P-C4' energy: -115.472
flat angles P-C4'-P energy: -77.536
tors. eta vs tors. theta energy: -142.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1527.153893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.153893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.153893 (E_RNA)
where:
Base-Base interactions energy: -1050.787
where: short stacking energy: -442.430
Base-Backbone interact. energy: -2.079
local terms energy: -474.287272
where:
bonds (distance) C4'-P energy: -95.950
bonds (distance) P-C4' energy: -91.356
flat angles C4'-P-C4' energy: -107.361
flat angles P-C4'-P energy: -63.181
tors. eta vs tors. theta energy: -116.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1465.667781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.667781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.667781 (E_RNA)
where:
Base-Base interactions energy: -1009.066
where: short stacking energy: -448.404
Base-Backbone interact. energy: -0.804
local terms energy: -455.797396
where:
bonds (distance) C4'-P energy: -88.835
bonds (distance) P-C4' energy: -76.689
flat angles C4'-P-C4' energy: -108.261
flat angles P-C4'-P energy: -64.230
tors. eta vs tors. theta energy: -117.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1320.156230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.156230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.156230 (E_RNA)
where:
Base-Base interactions energy: -844.847
where: short stacking energy: -356.502
Base-Backbone interact. energy: 0.176
local terms energy: -475.485278
where:
bonds (distance) C4'-P energy: -88.782
bonds (distance) P-C4' energy: -101.243
flat angles C4'-P-C4' energy: -114.150
flat angles P-C4'-P energy: -69.869
tors. eta vs tors. theta energy: -101.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -801.319860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.319860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.319860 (E_RNA)
where:
Base-Base interactions energy: -457.201
where: short stacking energy: -228.608
Base-Backbone interact. energy: -1.840
local terms energy: -342.278198
where:
bonds (distance) C4'-P energy: -84.842
bonds (distance) P-C4' energy: -67.002
flat angles C4'-P-C4' energy: -94.125
flat angles P-C4'-P energy: -52.315
tors. eta vs tors. theta energy: -43.995
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: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -495.454092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.454092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.454092 (E_RNA)
where:
Base-Base interactions energy: -229.588
where: short stacking energy: -166.133
Base-Backbone interact. energy: 4.503
local terms energy: -270.368615
where:
bonds (distance) C4'-P energy: -72.155
bonds (distance) P-C4' energy: -72.865
flat angles C4'-P-C4' energy: -71.536
flat angles P-C4'-P energy: -54.466
tors. eta vs tors. theta energy: 0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1913.246484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.246484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.246484 (E_RNA)
where:
Base-Base interactions energy: -1298.949
where: short stacking energy: -562.671
Base-Backbone interact. energy: -2.716
local terms energy: -611.581942
where:
bonds (distance) C4'-P energy: -111.715
bonds (distance) P-C4' energy: -119.685
flat angles C4'-P-C4' energy: -117.007
flat angles P-C4'-P energy: -85.937
tors. eta vs tors. theta energy: -177.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1864.424383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.424383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.424383 (E_RNA)
where:
Base-Base interactions energy: -1272.515
where: short stacking energy: -558.438
Base-Backbone interact. energy: -1.647
local terms energy: -590.262042
where:
bonds (distance) C4'-P energy: -105.977
bonds (distance) P-C4' energy: -104.149
flat angles C4'-P-C4' energy: -117.349
flat angles P-C4'-P energy: -91.486
tors. eta vs tors. theta energy: -171.300
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: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1738.559433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.559433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.559433 (E_RNA)
where:
Base-Base interactions energy: -1193.762
where: short stacking energy: -509.260
Base-Backbone interact. energy: -1.239
local terms energy: -543.557876
where:
bonds (distance) C4'-P energy: -108.928
bonds (distance) P-C4' energy: -93.466
flat angles C4'-P-C4' energy: -120.099
flat angles P-C4'-P energy: -78.879
tors. eta vs tors. theta energy: -142.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1660.424966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.424966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.424966 (E_RNA)
where:
Base-Base interactions energy: -1145.717
where: short stacking energy: -497.539
Base-Backbone interact. energy: -0.347
local terms energy: -514.360994
where:
bonds (distance) C4'-P energy: -99.684
bonds (distance) P-C4' energy: -114.077
flat angles C4'-P-C4' energy: -107.225
flat angles P-C4'-P energy: -63.074
tors. eta vs tors. theta energy: -130.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1571.745960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.745960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.745960 (E_RNA)
where:
Base-Base interactions energy: -1067.974
where: short stacking energy: -470.182
Base-Backbone interact. energy: -1.964
local terms energy: -501.807174
where:
bonds (distance) C4'-P energy: -98.613
bonds (distance) P-C4' energy: -95.420
flat angles C4'-P-C4' energy: -114.633
flat angles P-C4'-P energy: -66.637
tors. eta vs tors. theta energy: -126.504
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: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1531.986192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.986192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.986192 (E_RNA)
where:
Base-Base interactions energy: -1063.488
where: short stacking energy: -449.447
Base-Backbone interact. energy: 0.351
local terms energy: -468.848832
where:
bonds (distance) C4'-P energy: -86.513
bonds (distance) P-C4' energy: -98.931
flat angles C4'-P-C4' energy: -106.624
flat angles P-C4'-P energy: -56.587
tors. eta vs tors. theta energy: -120.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1476.531994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.531994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.531994 (E_RNA)
where:
Base-Base interactions energy: -981.860
where: short stacking energy: -432.279
Base-Backbone interact. energy: 4.071
local terms energy: -498.743501
where:
bonds (distance) C4'-P energy: -96.012
bonds (distance) P-C4' energy: -103.243
flat angles C4'-P-C4' energy: -109.841
flat angles P-C4'-P energy: -73.532
tors. eta vs tors. theta energy: -116.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1300.430696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.430696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.430696 (E_RNA)
where:
Base-Base interactions energy: -858.986
where: short stacking energy: -379.928
Base-Backbone interact. energy: 4.937
local terms energy: -446.380970
where:
bonds (distance) C4'-P energy: -97.057
bonds (distance) P-C4' energy: -102.542
flat angles C4'-P-C4' energy: -96.464
flat angles P-C4'-P energy: -56.307
tors. eta vs tors. theta energy: -94.010
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: 436
Temperature: 1.300000
Total energy: -792.129152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.129152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.129152 (E_RNA)
where:
Base-Base interactions energy: -472.601
where: short stacking energy: -239.039
Base-Backbone interact. energy: -0.960
local terms energy: -318.568391
where:
bonds (distance) C4'-P energy: -88.238
bonds (distance) P-C4' energy: -85.577
flat angles C4'-P-C4' energy: -74.624
flat angles P-C4'-P energy: -38.259
tors. eta vs tors. theta energy: -31.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -527.417781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.417781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.417781 (E_RNA)
where:
Base-Base interactions energy: -235.360
where: short stacking energy: -156.864
Base-Backbone interact. energy: -2.052
local terms energy: -290.005992
where:
bonds (distance) C4'-P energy: -61.572
bonds (distance) P-C4' energy: -106.667
flat angles C4'-P-C4' energy: -78.125
flat angles P-C4'-P energy: -46.293
tors. eta vs tors. theta energy: 2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1891.612782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.612782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.612782 (E_RNA)
where:
Base-Base interactions energy: -1297.335
where: short stacking energy: -545.891
Base-Backbone interact. energy: 2.128
local terms energy: -596.405819
where:
bonds (distance) C4'-P energy: -110.419
bonds (distance) P-C4' energy: -111.420
flat angles C4'-P-C4' energy: -122.959
flat angles P-C4'-P energy: -85.756
tors. eta vs tors. theta energy: -165.852
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: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1898.073189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.073189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.073189 (E_RNA)
where:
Base-Base interactions energy: -1304.787
where: short stacking energy: -576.003
Base-Backbone interact. energy: -4.617
local terms energy: -588.668972
where:
bonds (distance) C4'-P energy: -103.015
bonds (distance) P-C4' energy: -113.714
flat angles C4'-P-C4' energy: -116.545
flat angles P-C4'-P energy: -82.332
tors. eta vs tors. theta energy: -173.062
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: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1752.254932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.254932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.254932 (E_RNA)
where:
Base-Base interactions energy: -1191.168
where: short stacking energy: -501.216
Base-Backbone interact. energy: -0.975
local terms energy: -560.112216
where:
bonds (distance) C4'-P energy: -103.287
bonds (distance) P-C4' energy: -99.314
flat angles C4'-P-C4' energy: -115.314
flat angles P-C4'-P energy: -92.106
tors. eta vs tors. theta energy: -150.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1644.913049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.913049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.913049 (E_RNA)
where:
Base-Base interactions energy: -1120.708
where: short stacking energy: -484.854
Base-Backbone interact. energy: -2.876
local terms energy: -521.329188
where:
bonds (distance) C4'-P energy: -104.346
bonds (distance) P-C4' energy: -98.066
flat angles C4'-P-C4' energy: -107.287
flat angles P-C4'-P energy: -85.984
tors. eta vs tors. theta energy: -125.647
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: 437
Temperature: 1.100000
Total energy: -1570.887422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.887422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.887422 (E_RNA)
where:
Base-Base interactions energy: -1068.872
where: short stacking energy: -461.209
Base-Backbone interact. energy: 0.333
local terms energy: -502.347958
where:
bonds (distance) C4'-P energy: -97.457
bonds (distance) P-C4' energy: -100.582
flat angles C4'-P-C4' energy: -107.699
flat angles P-C4'-P energy: -65.158
tors. eta vs tors. theta energy: -131.452
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: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1533.071185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.071185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.071185 (E_RNA)
where:
Base-Base interactions energy: -1038.019
where: short stacking energy: -447.325
Base-Backbone interact. energy: 1.936
local terms energy: -496.988093
where:
bonds (distance) C4'-P energy: -84.367
bonds (distance) P-C4' energy: -87.545
flat angles C4'-P-C4' energy: -124.222
flat angles P-C4'-P energy: -77.218
tors. eta vs tors. theta energy: -123.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1455.535933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.535933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.535933 (E_RNA)
where:
Base-Base interactions energy: -988.873
where: short stacking energy: -441.627
Base-Backbone interact. energy: -2.784
local terms energy: -463.879302
where:
bonds (distance) C4'-P energy: -86.460
bonds (distance) P-C4' energy: -98.266
flat angles C4'-P-C4' energy: -111.730
flat angles P-C4'-P energy: -53.322
tors. eta vs tors. theta energy: -114.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1301.081702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.081702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.081702 (E_RNA)
where:
Base-Base interactions energy: -888.932
where: short stacking energy: -360.324
Base-Backbone interact. energy: -3.291
local terms energy: -408.858675
where:
bonds (distance) C4'-P energy: -86.362
bonds (distance) P-C4' energy: -79.873
flat angles C4'-P-C4' energy: -91.927
flat angles P-C4'-P energy: -67.774
tors. eta vs tors. theta energy: -82.923
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: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -758.081098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.081098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.081098 (E_RNA)
where:
Base-Base interactions energy: -416.621
where: short stacking energy: -197.338
Base-Backbone interact. energy: 0.003
local terms energy: -341.462643
where:
bonds (distance) C4'-P energy: -97.965
bonds (distance) P-C4' energy: -95.477
flat angles C4'-P-C4' energy: -77.490
flat angles P-C4'-P energy: -48.018
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: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -525.879225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.879225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.879225 (E_RNA)
where:
Base-Base interactions energy: -225.305
where: short stacking energy: -122.306
Base-Backbone interact. energy: -3.669
local terms energy: -296.905072
where:
bonds (distance) C4'-P energy: -86.501
bonds (distance) P-C4' energy: -100.505
flat angles C4'-P-C4' energy: -81.758
flat angles P-C4'-P energy: -45.053
tors. eta vs tors. theta energy: 16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1936.932155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.932155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.932155 (E_RNA)
where:
Base-Base interactions energy: -1318.173
where: short stacking energy: -576.159
Base-Backbone interact. energy: -2.026
local terms energy: -616.734074
where:
bonds (distance) C4'-P energy: -114.148
bonds (distance) P-C4' energy: -104.781
flat angles C4'-P-C4' energy: -130.513
flat angles P-C4'-P energy: -89.632
tors. eta vs tors. theta energy: -177.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1883.949188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.949188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.949188 (E_RNA)
where:
Base-Base interactions energy: -1296.508
where: short stacking energy: -563.137
Base-Backbone interact. energy: -3.043
local terms energy: -584.398325
where:
bonds (distance) C4'-P energy: -95.876
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -118.008
flat angles P-C4'-P energy: -93.842
tors. eta vs tors. theta energy: -164.841
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: 438
Temperature: 1.000000
Total energy: -1788.598595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.598595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.598595 (E_RNA)
where:
Base-Base interactions energy: -1236.055
where: short stacking energy: -528.285
Base-Backbone interact. energy: -3.679
local terms energy: -548.865264
where:
bonds (distance) C4'-P energy: -85.819
bonds (distance) P-C4' energy: -111.653
flat angles C4'-P-C4' energy: -115.331
flat angles P-C4'-P energy: -75.106
tors. eta vs tors. theta energy: -160.956
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: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1646.904644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.904644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.904644 (E_RNA)
where:
Base-Base interactions energy: -1145.043
where: short stacking energy: -503.761
Base-Backbone interact. energy: 1.623
local terms energy: -503.485326
where:
bonds (distance) C4'-P energy: -100.456
bonds (distance) P-C4' energy: -90.332
flat angles C4'-P-C4' energy: -107.432
flat angles P-C4'-P energy: -73.585
tors. eta vs tors. theta energy: -131.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1568.036893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.036893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.036893 (E_RNA)
where:
Base-Base interactions energy: -1056.920
where: short stacking energy: -464.401
Base-Backbone interact. energy: -3.045
local terms energy: -508.071857
where:
bonds (distance) C4'-P energy: -92.230
bonds (distance) P-C4' energy: -96.012
flat angles C4'-P-C4' energy: -111.438
flat angles P-C4'-P energy: -70.743
tors. eta vs tors. theta energy: -137.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1525.551879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.551879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.551879 (E_RNA)
where:
Base-Base interactions energy: -1007.227
where: short stacking energy: -429.680
Base-Backbone interact. energy: -2.725
local terms energy: -515.599428
where:
bonds (distance) C4'-P energy: -96.496
bonds (distance) P-C4' energy: -102.439
flat angles C4'-P-C4' energy: -107.515
flat angles P-C4'-P energy: -82.851
tors. eta vs tors. theta energy: -126.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1492.204763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.204763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.204763 (E_RNA)
where:
Base-Base interactions energy: -1013.608
where: short stacking energy: -461.101
Base-Backbone interact. energy: -1.953
local terms energy: -476.643549
where:
bonds (distance) C4'-P energy: -87.229
bonds (distance) P-C4' energy: -88.664
flat angles C4'-P-C4' energy: -101.718
flat angles P-C4'-P energy: -65.084
tors. eta vs tors. theta energy: -133.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1314.021209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.021209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.021209 (E_RNA)
where:
Base-Base interactions energy: -912.110
where: short stacking energy: -398.607
Base-Backbone interact. energy: -1.068
local terms energy: -400.843903
where:
bonds (distance) C4'-P energy: -74.713
bonds (distance) P-C4' energy: -86.816
flat angles C4'-P-C4' energy: -95.464
flat angles P-C4'-P energy: -43.545
tors. eta vs tors. theta energy: -100.306
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: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -815.324863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.324863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.324863 (E_RNA)
where:
Base-Base interactions energy: -465.997
where: short stacking energy: -240.184
Base-Backbone interact. energy: -0.209
local terms energy: -349.118976
where:
bonds (distance) C4'-P energy: -73.939
bonds (distance) P-C4' energy: -90.486
flat angles C4'-P-C4' energy: -87.735
flat angles P-C4'-P energy: -64.097
tors. eta vs tors. theta energy: -32.862
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: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -553.145190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.145190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.145190 (E_RNA)
where:
Base-Base interactions energy: -266.080
where: short stacking energy: -152.027
Base-Backbone interact. energy: 6.553
local terms energy: -293.618001
where:
bonds (distance) C4'-P energy: -86.221
bonds (distance) P-C4' energy: -87.774
flat angles C4'-P-C4' energy: -83.198
flat angles P-C4'-P energy: -48.851
tors. eta vs tors. theta energy: 12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1925.085432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.085432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.085432 (E_RNA)
where:
Base-Base interactions energy: -1318.479
where: short stacking energy: -569.326
Base-Backbone interact. energy: -4.023
local terms energy: -602.583634
where:
bonds (distance) C4'-P energy: -108.197
bonds (distance) P-C4' energy: -113.145
flat angles C4'-P-C4' energy: -123.959
flat angles P-C4'-P energy: -90.066
tors. eta vs tors. theta energy: -167.217
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: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1816.815950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.815950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.815950 (E_RNA)
where:
Base-Base interactions energy: -1256.631
where: short stacking energy: -548.307
Base-Backbone interact. energy: -1.530
local terms energy: -558.654805
where:
bonds (distance) C4'-P energy: -107.553
bonds (distance) P-C4' energy: -94.116
flat angles C4'-P-C4' energy: -114.287
flat angles P-C4'-P energy: -85.154
tors. eta vs tors. theta energy: -157.544
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: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1761.086837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.086837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.086837 (E_RNA)
where:
Base-Base interactions energy: -1209.585
where: short stacking energy: -494.004
Base-Backbone interact. energy: 1.406
local terms energy: -552.908300
where:
bonds (distance) C4'-P energy: -106.366
bonds (distance) P-C4' energy: -111.792
flat angles C4'-P-C4' energy: -113.566
flat angles P-C4'-P energy: -74.675
tors. eta vs tors. theta energy: -146.509
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: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1644.413513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.413513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.413513 (E_RNA)
where:
Base-Base interactions energy: -1121.831
where: short stacking energy: -490.743
Base-Backbone interact. energy: -1.634
local terms energy: -520.948158
where:
bonds (distance) C4'-P energy: -83.157
bonds (distance) P-C4' energy: -106.834
flat angles C4'-P-C4' energy: -112.222
flat angles P-C4'-P energy: -80.814
tors. eta vs tors. theta energy: -137.921
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: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1539.266202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.266202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.266202 (E_RNA)
where:
Base-Base interactions energy: -1043.524
where: short stacking energy: -461.598
Base-Backbone interact. energy: -0.040
local terms energy: -495.702766
where:
bonds (distance) C4'-P energy: -92.394
bonds (distance) P-C4' energy: -101.662
flat angles C4'-P-C4' energy: -100.236
flat angles P-C4'-P energy: -70.316
tors. eta vs tors. theta energy: -131.095
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: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1528.904752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.904752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.904752 (E_RNA)
where:
Base-Base interactions energy: -1067.176
where: short stacking energy: -463.752
Base-Backbone interact. energy: -1.714
local terms energy: -460.014871
where:
bonds (distance) C4'-P energy: -87.253
bonds (distance) P-C4' energy: -96.659
flat angles C4'-P-C4' energy: -96.219
flat angles P-C4'-P energy: -63.271
tors. eta vs tors. theta energy: -116.613
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: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1445.019077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.019077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.019077 (E_RNA)
where:
Base-Base interactions energy: -990.452
where: short stacking energy: -421.674
Base-Backbone interact. energy: -1.730
local terms energy: -452.837172
where:
bonds (distance) C4'-P energy: -87.446
bonds (distance) P-C4' energy: -103.530
flat angles C4'-P-C4' energy: -89.713
flat angles P-C4'-P energy: -75.472
tors. eta vs tors. theta energy: -96.676
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: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1288.112082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.112082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.112082 (E_RNA)
where:
Base-Base interactions energy: -862.563
where: short stacking energy: -377.418
Base-Backbone interact. energy: -3.341
local terms energy: -422.208652
where:
bonds (distance) C4'-P energy: -98.703
bonds (distance) P-C4' energy: -89.393
flat angles C4'-P-C4' energy: -95.404
flat angles P-C4'-P energy: -59.229
tors. eta vs tors. theta energy: -79.479
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: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -865.881850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.881850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.881850 (E_RNA)
where:
Base-Base interactions energy: -520.068
where: short stacking energy: -254.022
Base-Backbone interact. energy: 4.484
local terms energy: -350.297144
where:
bonds (distance) C4'-P energy: -102.316
bonds (distance) P-C4' energy: -89.327
flat angles C4'-P-C4' energy: -86.615
flat angles P-C4'-P energy: -42.317
tors. eta vs tors. theta energy: -29.723
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: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -553.837432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.837432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.837432 (E_RNA)
where:
Base-Base interactions energy: -269.542
where: short stacking energy: -148.523
Base-Backbone interact. energy: 2.517
local terms energy: -286.811861
where:
bonds (distance) C4'-P energy: -88.221
bonds (distance) P-C4' energy: -99.280
flat angles C4'-P-C4' energy: -66.466
flat angles P-C4'-P energy: -48.539
tors. eta vs tors. theta energy: 15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1923.099110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.099110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.099110 (E_RNA)
where:
Base-Base interactions energy: -1304.458
where: short stacking energy: -551.158
Base-Backbone interact. energy: -1.993
local terms energy: -616.648389
where:
bonds (distance) C4'-P energy: -117.047
bonds (distance) P-C4' energy: -119.364
flat angles C4'-P-C4' energy: -122.709
flat angles P-C4'-P energy: -90.844
tors. eta vs tors. theta energy: -166.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1867.623010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.623010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.623010 (E_RNA)
where:
Base-Base interactions energy: -1293.734
where: short stacking energy: -546.864
Base-Backbone interact. energy: 6.092
local terms energy: -579.981283
where:
bonds (distance) C4'-P energy: -104.038
bonds (distance) P-C4' energy: -113.633
flat angles C4'-P-C4' energy: -122.305
flat angles P-C4'-P energy: -74.456
tors. eta vs tors. theta energy: -165.549
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: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1769.965431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.965431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.965431 (E_RNA)
where:
Base-Base interactions energy: -1217.448
where: short stacking energy: -515.530
Base-Backbone interact. energy: -3.940
local terms energy: -548.577755
where:
bonds (distance) C4'-P energy: -95.537
bonds (distance) P-C4' energy: -99.173
flat angles C4'-P-C4' energy: -121.772
flat angles P-C4'-P energy: -77.912
tors. eta vs tors. theta energy: -154.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1638.079176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.079176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.079176 (E_RNA)
where:
Base-Base interactions energy: -1141.782
where: short stacking energy: -488.123
Base-Backbone interact. energy: -2.973
local terms energy: -493.324218
where:
bonds (distance) C4'-P energy: -81.371
bonds (distance) P-C4' energy: -100.100
flat angles C4'-P-C4' energy: -114.790
flat angles P-C4'-P energy: -73.806
tors. eta vs tors. theta energy: -123.257
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: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1586.741348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.741348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.741348 (E_RNA)
where:
Base-Base interactions energy: -1067.971
where: short stacking energy: -463.195
Base-Backbone interact. energy: -2.246
local terms energy: -516.524515
where:
bonds (distance) C4'-P energy: -94.682
bonds (distance) P-C4' energy: -106.917
flat angles C4'-P-C4' energy: -109.164
flat angles P-C4'-P energy: -87.152
tors. eta vs tors. theta energy: -118.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1461.071635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.071635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.071635 (E_RNA)
where:
Base-Base interactions energy: -984.651
where: short stacking energy: -433.992
Base-Backbone interact. energy: -1.018
local terms energy: -475.402489
where:
bonds (distance) C4'-P energy: -93.154
bonds (distance) P-C4' energy: -89.139
flat angles C4'-P-C4' energy: -102.008
flat angles P-C4'-P energy: -80.201
tors. eta vs tors. theta energy: -110.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1476.486302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.486302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.486302 (E_RNA)
where:
Base-Base interactions energy: -1023.469
where: short stacking energy: -441.752
Base-Backbone interact. energy: -0.468
local terms energy: -452.548887
where:
bonds (distance) C4'-P energy: -78.808
bonds (distance) P-C4' energy: -88.008
flat angles C4'-P-C4' energy: -100.773
flat angles P-C4'-P energy: -73.307
tors. eta vs tors. theta energy: -111.652
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: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1354.500509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.500509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.500509 (E_RNA)
where:
Base-Base interactions energy: -912.508
where: short stacking energy: -395.456
Base-Backbone interact. energy: 2.284
local terms energy: -444.276177
where:
bonds (distance) C4'-P energy: -68.657
bonds (distance) P-C4' energy: -89.098
flat angles C4'-P-C4' energy: -107.775
flat angles P-C4'-P energy: -80.578
tors. eta vs tors. theta energy: -98.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -804.102571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.102571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.102571 (E_RNA)
where:
Base-Base interactions energy: -485.458
where: short stacking energy: -235.427
Base-Backbone interact. energy: -2.210
local terms energy: -316.434631
where:
bonds (distance) C4'-P energy: -67.462
bonds (distance) P-C4' energy: -76.273
flat angles C4'-P-C4' energy: -92.487
flat angles P-C4'-P energy: -54.717
tors. eta vs tors. theta energy: -25.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -552.069071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.069071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.069071 (E_RNA)
where:
Base-Base interactions energy: -268.514
where: short stacking energy: -166.871
Base-Backbone interact. energy: 12.078
local terms energy: -295.633512
where:
bonds (distance) C4'-P energy: -94.333
bonds (distance) P-C4' energy: -88.263
flat angles C4'-P-C4' energy: -72.693
flat angles P-C4'-P energy: -38.775
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1936.403774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.403774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.403774 (E_RNA)
where:
Base-Base interactions energy: -1331.259
where: short stacking energy: -556.630
Base-Backbone interact. energy: -2.881
local terms energy: -602.263985
where:
bonds (distance) C4'-P energy: -105.626
bonds (distance) P-C4' energy: -110.354
flat angles C4'-P-C4' energy: -120.298
flat angles P-C4'-P energy: -93.511
tors. eta vs tors. theta energy: -172.475
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: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1888.077185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.077185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.077185 (E_RNA)
where:
Base-Base interactions energy: -1305.001
where: short stacking energy: -552.806
Base-Backbone interact. energy: -3.367
local terms energy: -579.708925
where:
bonds (distance) C4'-P energy: -96.007
bonds (distance) P-C4' energy: -113.224
flat angles C4'-P-C4' energy: -115.812
flat angles P-C4'-P energy: -92.214
tors. eta vs tors. theta energy: -162.451
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: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1776.620545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.620545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.620545 (E_RNA)
where:
Base-Base interactions energy: -1229.297
where: short stacking energy: -519.892
Base-Backbone interact. energy: -2.220
local terms energy: -545.103506
where:
bonds (distance) C4'-P energy: -104.948
bonds (distance) P-C4' energy: -102.790
flat angles C4'-P-C4' energy: -122.153
flat angles P-C4'-P energy: -62.349
tors. eta vs tors. theta energy: -152.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1649.371586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.371586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.371586 (E_RNA)
where:
Base-Base interactions energy: -1116.075
where: short stacking energy: -488.885
Base-Backbone interact. energy: -1.909
local terms energy: -531.388096
where:
bonds (distance) C4'-P energy: -104.480
bonds (distance) P-C4' energy: -94.064
flat angles C4'-P-C4' energy: -119.989
flat angles P-C4'-P energy: -76.315
tors. eta vs tors. theta energy: -136.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1585.396904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.396904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.396904 (E_RNA)
where:
Base-Base interactions energy: -1072.287
where: short stacking energy: -477.001
Base-Backbone interact. energy: 1.164
local terms energy: -514.273606
where:
bonds (distance) C4'-P energy: -97.253
bonds (distance) P-C4' energy: -100.874
flat angles C4'-P-C4' energy: -113.258
flat angles P-C4'-P energy: -75.553
tors. eta vs tors. theta energy: -127.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1497.143259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.143259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.143259 (E_RNA)
where:
Base-Base interactions energy: -1020.155
where: short stacking energy: -426.901
Base-Backbone interact. energy: 4.144
local terms energy: -481.131765
where:
bonds (distance) C4'-P energy: -85.779
bonds (distance) P-C4' energy: -98.453
flat angles C4'-P-C4' energy: -116.641
flat angles P-C4'-P energy: -71.052
tors. eta vs tors. theta energy: -109.208
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: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1398.492059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.492059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.492059 (E_RNA)
where:
Base-Base interactions energy: -944.137
where: short stacking energy: -420.618
Base-Backbone interact. energy: -1.187
local terms energy: -453.167509
where:
bonds (distance) C4'-P energy: -102.537
bonds (distance) P-C4' energy: -96.120
flat angles C4'-P-C4' energy: -95.216
flat angles P-C4'-P energy: -54.421
tors. eta vs tors. theta energy: -104.873
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: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1327.180833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.180833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.180833 (E_RNA)
where:
Base-Base interactions energy: -874.767
where: short stacking energy: -389.130
Base-Backbone interact. energy: -0.796
local terms energy: -451.617401
where:
bonds (distance) C4'-P energy: -79.959
bonds (distance) P-C4' energy: -96.333
flat angles C4'-P-C4' energy: -107.293
flat angles P-C4'-P energy: -71.069
tors. eta vs tors. theta energy: -96.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -869.119905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.119905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.119905 (E_RNA)
where:
Base-Base interactions energy: -492.796
where: short stacking energy: -256.192
Base-Backbone interact. energy: 1.982
local terms energy: -378.305796
where:
bonds (distance) C4'-P energy: -104.114
bonds (distance) P-C4' energy: -91.185
flat angles C4'-P-C4' energy: -82.855
flat angles P-C4'-P energy: -50.004
tors. eta vs tors. theta energy: -50.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -498.193006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.193006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.193006 (E_RNA)
where:
Base-Base interactions energy: -231.099
where: short stacking energy: -151.685
Base-Backbone interact. energy: 0.771
local terms energy: -267.865567
where:
bonds (distance) C4'-P energy: -77.986
bonds (distance) P-C4' energy: -74.570
flat angles C4'-P-C4' energy: -83.170
flat angles P-C4'-P energy: -41.504
tors. eta vs tors. theta energy: 9.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1924.207435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.207435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.207435 (E_RNA)
where:
Base-Base interactions energy: -1338.676
where: short stacking energy: -552.107
Base-Backbone interact. energy: -1.159
local terms energy: -584.371758
where:
bonds (distance) C4'-P energy: -108.084
bonds (distance) P-C4' energy: -116.407
flat angles C4'-P-C4' energy: -114.733
flat angles P-C4'-P energy: -81.321
tors. eta vs tors. theta energy: -163.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1883.895627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.895627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.895627 (E_RNA)
where:
Base-Base interactions energy: -1298.159
where: short stacking energy: -546.810
Base-Backbone interact. energy: -4.206
local terms energy: -581.530180
where:
bonds (distance) C4'-P energy: -95.881
bonds (distance) P-C4' energy: -106.336
flat angles C4'-P-C4' energy: -117.227
flat angles P-C4'-P energy: -89.168
tors. eta vs tors. theta energy: -172.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1756.740286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.740286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.740286 (E_RNA)
where:
Base-Base interactions energy: -1223.175
where: short stacking energy: -499.683
Base-Backbone interact. energy: 5.691
local terms energy: -539.255931
where:
bonds (distance) C4'-P energy: -90.366
bonds (distance) P-C4' energy: -104.254
flat angles C4'-P-C4' energy: -124.091
flat angles P-C4'-P energy: -78.601
tors. eta vs tors. theta energy: -141.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1642.498109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.498109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.498109 (E_RNA)
where:
Base-Base interactions energy: -1119.590
where: short stacking energy: -476.646
Base-Backbone interact. energy: -2.061
local terms energy: -520.846918
where:
bonds (distance) C4'-P energy: -106.341
bonds (distance) P-C4' energy: -93.840
flat angles C4'-P-C4' energy: -118.086
flat angles P-C4'-P energy: -82.560
tors. eta vs tors. theta energy: -120.019
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: 442
Temperature: 1.100000
Total energy: -1585.103243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.103243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.103243 (E_RNA)
where:
Base-Base interactions energy: -1055.746
where: short stacking energy: -448.788
Base-Backbone interact. energy: -2.337
local terms energy: -527.020167
where:
bonds (distance) C4'-P energy: -96.634
bonds (distance) P-C4' energy: -103.782
flat angles C4'-P-C4' energy: -112.479
flat angles P-C4'-P energy: -81.433
tors. eta vs tors. theta energy: -132.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1533.005466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.005466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.005466 (E_RNA)
where:
Base-Base interactions energy: -1035.935
where: short stacking energy: -464.391
Base-Backbone interact. energy: -2.130
local terms energy: -494.939728
where:
bonds (distance) C4'-P energy: -105.084
bonds (distance) P-C4' energy: -96.918
flat angles C4'-P-C4' energy: -104.518
flat angles P-C4'-P energy: -58.945
tors. eta vs tors. theta energy: -129.474
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: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1369.897923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.897923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.897923 (E_RNA)
where:
Base-Base interactions energy: -921.929
where: short stacking energy: -403.351
Base-Backbone interact. energy: 3.390
local terms energy: -451.358549
where:
bonds (distance) C4'-P energy: -89.570
bonds (distance) P-C4' energy: -96.846
flat angles C4'-P-C4' energy: -101.985
flat angles P-C4'-P energy: -58.552
tors. eta vs tors. theta energy: -104.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1392.404845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.404845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.404845 (E_RNA)
where:
Base-Base interactions energy: -966.301
where: short stacking energy: -415.888
Base-Backbone interact. energy: -1.430
local terms energy: -424.673000
where:
bonds (distance) C4'-P energy: -79.846
bonds (distance) P-C4' energy: -96.652
flat angles C4'-P-C4' energy: -90.144
flat angles P-C4'-P energy: -56.452
tors. eta vs tors. theta energy: -101.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -812.668105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.668105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.668105 (E_RNA)
where:
Base-Base interactions energy: -478.610
where: short stacking energy: -227.470
Base-Backbone interact. energy: 1.983
local terms energy: -336.041257
where:
bonds (distance) C4'-P energy: -86.594
bonds (distance) P-C4' energy: -83.875
flat angles C4'-P-C4' energy: -84.424
flat angles P-C4'-P energy: -54.412
tors. eta vs tors. theta energy: -26.737
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: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -526.489039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.489039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.489039 (E_RNA)
where:
Base-Base interactions energy: -246.234
where: short stacking energy: -154.559
Base-Backbone interact. energy: 3.958
local terms energy: -284.212664
where:
bonds (distance) C4'-P energy: -85.447
bonds (distance) P-C4' energy: -84.991
flat angles C4'-P-C4' energy: -60.958
flat angles P-C4'-P energy: -61.694
tors. eta vs tors. theta energy: 8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1936.570096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.570096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.570096 (E_RNA)
where:
Base-Base interactions energy: -1319.242
where: short stacking energy: -581.187
Base-Backbone interact. energy: -1.458
local terms energy: -615.869777
where:
bonds (distance) C4'-P energy: -113.597
bonds (distance) P-C4' energy: -110.570
flat angles C4'-P-C4' energy: -131.207
flat angles P-C4'-P energy: -84.606
tors. eta vs tors. theta energy: -175.890
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: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1855.229456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.229456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.229456 (E_RNA)
where:
Base-Base interactions energy: -1260.293
where: short stacking energy: -536.527
Base-Backbone interact. energy: -3.527
local terms energy: -591.409789
where:
bonds (distance) C4'-P energy: -105.422
bonds (distance) P-C4' energy: -117.909
flat angles C4'-P-C4' energy: -120.421
flat angles P-C4'-P energy: -80.934
tors. eta vs tors. theta energy: -166.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1786.603809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.603809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.603809 (E_RNA)
where:
Base-Base interactions energy: -1229.043
where: short stacking energy: -497.396
Base-Backbone interact. energy: -1.164
local terms energy: -556.396530
where:
bonds (distance) C4'-P energy: -106.784
bonds (distance) P-C4' energy: -103.036
flat angles C4'-P-C4' energy: -125.623
flat angles P-C4'-P energy: -80.132
tors. eta vs tors. theta energy: -140.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1634.777234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.777234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.777234 (E_RNA)
where:
Base-Base interactions energy: -1108.344
where: short stacking energy: -487.798
Base-Backbone interact. energy: 1.688
local terms energy: -528.121577
where:
bonds (distance) C4'-P energy: -93.264
bonds (distance) P-C4' energy: -109.898
flat angles C4'-P-C4' energy: -111.133
flat angles P-C4'-P energy: -82.423
tors. eta vs tors. theta energy: -131.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1598.487847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.487847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.487847 (E_RNA)
where:
Base-Base interactions energy: -1089.736
where: short stacking energy: -459.790
Base-Backbone interact. energy: -0.595
local terms energy: -508.156726
where:
bonds (distance) C4'-P energy: -103.899
bonds (distance) P-C4' energy: -102.815
flat angles C4'-P-C4' energy: -112.297
flat angles P-C4'-P energy: -62.610
tors. eta vs tors. theta energy: -126.536
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: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1525.969185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.969185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.969185 (E_RNA)
where:
Base-Base interactions energy: -1047.831
where: short stacking energy: -465.821
Base-Backbone interact. energy: -1.600
local terms energy: -476.538938
where:
bonds (distance) C4'-P energy: -88.680
bonds (distance) P-C4' energy: -78.347
flat angles C4'-P-C4' energy: -110.926
flat angles P-C4'-P energy: -72.059
tors. eta vs tors. theta energy: -126.527
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: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1329.534718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.534718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.534718 (E_RNA)
where:
Base-Base interactions energy: -879.496
where: short stacking energy: -382.792
Base-Backbone interact. energy: -1.811
local terms energy: -448.227743
where:
bonds (distance) C4'-P energy: -82.703
bonds (distance) P-C4' energy: -98.499
flat angles C4'-P-C4' energy: -104.557
flat angles P-C4'-P energy: -69.948
tors. eta vs tors. theta energy: -92.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1382.480768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.480768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.480768 (E_RNA)
where:
Base-Base interactions energy: -958.844
where: short stacking energy: -426.670
Base-Backbone interact. energy: 0.976
local terms energy: -424.612833
where:
bonds (distance) C4'-P energy: -96.901
bonds (distance) P-C4' energy: -80.891
flat angles C4'-P-C4' energy: -98.040
flat angles P-C4'-P energy: -42.287
tors. eta vs tors. theta energy: -106.494
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: 443
Temperature: 1.300000
Total energy: -852.109260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.109260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.109260 (E_RNA)
where:
Base-Base interactions energy: -476.061
where: short stacking energy: -240.640
Base-Backbone interact. energy: 1.004
local terms energy: -377.052745
where:
bonds (distance) C4'-P energy: -98.361
bonds (distance) P-C4' energy: -97.165
flat angles C4'-P-C4' energy: -86.237
flat angles P-C4'-P energy: -56.035
tors. eta vs tors. theta energy: -39.255
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: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -570.875836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.875836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.875836 (E_RNA)
where:
Base-Base interactions energy: -285.644
where: short stacking energy: -181.854
Base-Backbone interact. energy: 0.080
local terms energy: -285.312747
where:
bonds (distance) C4'-P energy: -93.283
bonds (distance) P-C4' energy: -77.869
flat angles C4'-P-C4' energy: -67.976
flat angles P-C4'-P energy: -45.507
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1946.331055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.331055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.331055 (E_RNA)
where:
Base-Base interactions energy: -1351.908
where: short stacking energy: -576.344
Base-Backbone interact. energy: -1.088
local terms energy: -593.335121
where:
bonds (distance) C4'-P energy: -106.658
bonds (distance) P-C4' energy: -98.241
flat angles C4'-P-C4' energy: -130.423
flat angles P-C4'-P energy: -90.922
tors. eta vs tors. theta energy: -167.091
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: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1845.156693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.156693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.156693 (E_RNA)
where:
Base-Base interactions energy: -1280.855
where: short stacking energy: -524.786
Base-Backbone interact. energy: 0.042
local terms energy: -564.343213
where:
bonds (distance) C4'-P energy: -106.450
bonds (distance) P-C4' energy: -106.774
flat angles C4'-P-C4' energy: -113.068
flat angles P-C4'-P energy: -77.873
tors. eta vs tors. theta energy: -160.178
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: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1761.307519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.307519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.307519 (E_RNA)
where:
Base-Base interactions energy: -1226.040
where: short stacking energy: -489.894
Base-Backbone interact. energy: -1.326
local terms energy: -533.942500
where:
bonds (distance) C4'-P energy: -102.543
bonds (distance) P-C4' energy: -89.486
flat angles C4'-P-C4' energy: -121.340
flat angles P-C4'-P energy: -72.854
tors. eta vs tors. theta energy: -147.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1647.903572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.903572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.903572 (E_RNA)
where:
Base-Base interactions energy: -1125.886
where: short stacking energy: -495.969
Base-Backbone interact. energy: -3.497
local terms energy: -518.520636
where:
bonds (distance) C4'-P energy: -85.681
bonds (distance) P-C4' energy: -108.452
flat angles C4'-P-C4' energy: -105.265
flat angles P-C4'-P energy: -86.447
tors. eta vs tors. theta energy: -132.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1570.914885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.914885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.914885 (E_RNA)
where:
Base-Base interactions energy: -1032.742
where: short stacking energy: -464.830
Base-Backbone interact. energy: 0.464
local terms energy: -538.636407
where:
bonds (distance) C4'-P energy: -96.458
bonds (distance) P-C4' energy: -101.637
flat angles C4'-P-C4' energy: -119.222
flat angles P-C4'-P energy: -79.170
tors. eta vs tors. theta energy: -142.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1558.492314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.492314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.492314 (E_RNA)
where:
Base-Base interactions energy: -1067.589
where: short stacking energy: -490.363
Base-Backbone interact. energy: 2.428
local terms energy: -493.331449
where:
bonds (distance) C4'-P energy: -102.614
bonds (distance) P-C4' energy: -81.477
flat angles C4'-P-C4' energy: -108.420
flat angles P-C4'-P energy: -70.784
tors. eta vs tors. theta energy: -130.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1400.816271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.816271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.816271 (E_RNA)
where:
Base-Base interactions energy: -941.613
where: short stacking energy: -392.191
Base-Backbone interact. energy: 0.706
local terms energy: -459.909382
where:
bonds (distance) C4'-P energy: -97.330
bonds (distance) P-C4' energy: -95.083
flat angles C4'-P-C4' energy: -105.240
flat angles P-C4'-P energy: -62.006
tors. eta vs tors. theta energy: -100.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1287.421599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.421599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.421599 (E_RNA)
where:
Base-Base interactions energy: -856.958
where: short stacking energy: -372.429
Base-Backbone interact. energy: 1.034
local terms energy: -431.497574
where:
bonds (distance) C4'-P energy: -96.594
bonds (distance) P-C4' energy: -87.601
flat angles C4'-P-C4' energy: -99.092
flat angles P-C4'-P energy: -62.375
tors. eta vs tors. theta energy: -85.836
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: 444
Temperature: 1.300000
Total energy: -882.332037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.332037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.332037 (E_RNA)
where:
Base-Base interactions energy: -539.924
where: short stacking energy: -239.449
Base-Backbone interact. energy: -1.818
local terms energy: -340.589992
where:
bonds (distance) C4'-P energy: -95.240
bonds (distance) P-C4' energy: -96.095
flat angles C4'-P-C4' energy: -67.907
flat angles P-C4'-P energy: -54.135
tors. eta vs tors. theta energy: -27.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -556.117592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.117592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.117592 (E_RNA)
where:
Base-Base interactions energy: -248.963
where: short stacking energy: -146.733
Base-Backbone interact. energy: -0.798
local terms energy: -306.356429
where:
bonds (distance) C4'-P energy: -84.342
bonds (distance) P-C4' energy: -86.690
flat angles C4'-P-C4' energy: -74.986
flat angles P-C4'-P energy: -56.886
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1921.072794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.072794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.072794 (E_RNA)
where:
Base-Base interactions energy: -1321.023
where: short stacking energy: -577.986
Base-Backbone interact. energy: 0.433
local terms energy: -600.483199
where:
bonds (distance) C4'-P energy: -109.188
bonds (distance) P-C4' energy: -114.816
flat angles C4'-P-C4' energy: -118.016
flat angles P-C4'-P energy: -89.681
tors. eta vs tors. theta energy: -168.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1873.839851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.839851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.839851 (E_RNA)
where:
Base-Base interactions energy: -1292.109
where: short stacking energy: -557.463
Base-Backbone interact. energy: -3.253
local terms energy: -578.478510
where:
bonds (distance) C4'-P energy: -104.460
bonds (distance) P-C4' energy: -105.857
flat angles C4'-P-C4' energy: -116.423
flat angles P-C4'-P energy: -82.838
tors. eta vs tors. theta energy: -168.901
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: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1762.943305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.943305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.943305 (E_RNA)
where:
Base-Base interactions energy: -1242.309
where: short stacking energy: -530.577
Base-Backbone interact. energy: -2.434
local terms energy: -518.200712
where:
bonds (distance) C4'-P energy: -93.580
bonds (distance) P-C4' energy: -98.477
flat angles C4'-P-C4' energy: -115.178
flat angles P-C4'-P energy: -73.408
tors. eta vs tors. theta energy: -137.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1665.053908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.053908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.053908 (E_RNA)
where:
Base-Base interactions energy: -1130.463
where: short stacking energy: -494.805
Base-Backbone interact. energy: -0.600
local terms energy: -533.991205
where:
bonds (distance) C4'-P energy: -96.591
bonds (distance) P-C4' energy: -106.660
flat angles C4'-P-C4' energy: -109.597
flat angles P-C4'-P energy: -81.390
tors. eta vs tors. theta energy: -139.754
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: 445
Temperature: 1.100000
Total energy: -1577.352842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.352842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.352842 (E_RNA)
where:
Base-Base interactions energy: -1052.729
where: short stacking energy: -459.847
Base-Backbone interact. energy: -0.503
local terms energy: -524.120784
where:
bonds (distance) C4'-P energy: -94.366
bonds (distance) P-C4' energy: -104.667
flat angles C4'-P-C4' energy: -102.476
flat angles P-C4'-P energy: -90.325
tors. eta vs tors. theta energy: -132.286
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: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1537.181105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.181105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.181105 (E_RNA)
where:
Base-Base interactions energy: -1049.543
where: short stacking energy: -455.710
Base-Backbone interact. energy: 2.480
local terms energy: -490.117956
where:
bonds (distance) C4'-P energy: -96.881
bonds (distance) P-C4' energy: -100.534
flat angles C4'-P-C4' energy: -100.425
flat angles P-C4'-P energy: -74.077
tors. eta vs tors. theta energy: -118.200
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: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1424.279802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.279802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.279802 (E_RNA)
where:
Base-Base interactions energy: -997.562
where: short stacking energy: -421.106
Base-Backbone interact. energy: -1.969
local terms energy: -424.748573
where:
bonds (distance) C4'-P energy: -85.306
bonds (distance) P-C4' energy: -72.268
flat angles C4'-P-C4' energy: -115.131
flat angles P-C4'-P energy: -47.024
tors. eta vs tors. theta energy: -105.019
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: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1300.932114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.932114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.932114 (E_RNA)
where:
Base-Base interactions energy: -847.391
where: short stacking energy: -360.210
Base-Backbone interact. energy: -1.103
local terms energy: -452.438055
where:
bonds (distance) C4'-P energy: -98.960
bonds (distance) P-C4' energy: -84.547
flat angles C4'-P-C4' energy: -98.417
flat angles P-C4'-P energy: -67.526
tors. eta vs tors. theta energy: -102.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -836.337811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.337811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.337811 (E_RNA)
where:
Base-Base interactions energy: -500.638
where: short stacking energy: -220.769
Base-Backbone interact. energy: 1.794
local terms energy: -337.494160
where:
bonds (distance) C4'-P energy: -92.597
bonds (distance) P-C4' energy: -92.377
flat angles C4'-P-C4' energy: -92.507
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -23.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -498.410492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.410492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.410492 (E_RNA)
where:
Base-Base interactions energy: -223.112
where: short stacking energy: -129.259
Base-Backbone interact. energy: 0.229
local terms energy: -275.527675
where:
bonds (distance) C4'-P energy: -77.828
bonds (distance) P-C4' energy: -88.100
flat angles C4'-P-C4' energy: -67.709
flat angles P-C4'-P energy: -49.518
tors. eta vs tors. theta energy: 7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1917.305328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.305328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.305328 (E_RNA)
where:
Base-Base interactions energy: -1326.508
where: short stacking energy: -574.827
Base-Backbone interact. energy: -1.020
local terms energy: -589.776832
where:
bonds (distance) C4'-P energy: -103.194
bonds (distance) P-C4' energy: -109.979
flat angles C4'-P-C4' energy: -126.402
flat angles P-C4'-P energy: -76.023
tors. eta vs tors. theta energy: -174.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1907.723310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.723310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.723310 (E_RNA)
where:
Base-Base interactions energy: -1306.048
where: short stacking energy: -557.684
Base-Backbone interact. energy: -2.292
local terms energy: -599.383749
where:
bonds (distance) C4'-P energy: -100.412
bonds (distance) P-C4' energy: -106.462
flat angles C4'-P-C4' energy: -132.303
flat angles P-C4'-P energy: -86.676
tors. eta vs tors. theta energy: -173.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1765.844966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.844966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.844966 (E_RNA)
where:
Base-Base interactions energy: -1226.972
where: short stacking energy: -497.662
Base-Backbone interact. energy: -3.002
local terms energy: -535.871173
where:
bonds (distance) C4'-P energy: -106.380
bonds (distance) P-C4' energy: -105.722
flat angles C4'-P-C4' energy: -104.206
flat angles P-C4'-P energy: -74.895
tors. eta vs tors. theta energy: -144.668
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: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1614.551653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.551653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.551653 (E_RNA)
where:
Base-Base interactions energy: -1094.548
where: short stacking energy: -467.056
Base-Backbone interact. energy: -2.076
local terms energy: -517.927559
where:
bonds (distance) C4'-P energy: -97.880
bonds (distance) P-C4' energy: -107.521
flat angles C4'-P-C4' energy: -103.078
flat angles P-C4'-P energy: -85.903
tors. eta vs tors. theta energy: -123.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1590.971746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.971746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.971746 (E_RNA)
where:
Base-Base interactions energy: -1106.529
where: short stacking energy: -496.484
Base-Backbone interact. energy: 1.331
local terms energy: -485.773459
where:
bonds (distance) C4'-P energy: -101.180
bonds (distance) P-C4' energy: -99.064
flat angles C4'-P-C4' energy: -100.660
flat angles P-C4'-P energy: -50.179
tors. eta vs tors. theta energy: -134.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1524.942773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.942773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.942773 (E_RNA)
where:
Base-Base interactions energy: -1034.689
where: short stacking energy: -441.111
Base-Backbone interact. energy: -2.254
local terms energy: -487.999788
where:
bonds (distance) C4'-P energy: -85.654
bonds (distance) P-C4' energy: -99.497
flat angles C4'-P-C4' energy: -115.486
flat angles P-C4'-P energy: -63.107
tors. eta vs tors. theta energy: -124.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1483.574216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.574216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.574216 (E_RNA)
where:
Base-Base interactions energy: -1019.403
where: short stacking energy: -430.944
Base-Backbone interact. energy: 0.665
local terms energy: -464.836394
where:
bonds (distance) C4'-P energy: -82.855
bonds (distance) P-C4' energy: -96.264
flat angles C4'-P-C4' energy: -105.081
flat angles P-C4'-P energy: -59.065
tors. eta vs tors. theta energy: -121.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1308.068848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.068848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.068848 (E_RNA)
where:
Base-Base interactions energy: -870.651
where: short stacking energy: -382.868
Base-Backbone interact. energy: -3.646
local terms energy: -433.771733
where:
bonds (distance) C4'-P energy: -85.445
bonds (distance) P-C4' energy: -99.293
flat angles C4'-P-C4' energy: -94.741
flat angles P-C4'-P energy: -61.375
tors. eta vs tors. theta energy: -92.919
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: 446
Temperature: 1.300000
Total energy: -833.630041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.630041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.630041 (E_RNA)
where:
Base-Base interactions energy: -477.600
where: short stacking energy: -228.205
Base-Backbone interact. energy: 1.341
local terms energy: -357.371397
where:
bonds (distance) C4'-P energy: -86.195
bonds (distance) P-C4' energy: -97.992
flat angles C4'-P-C4' energy: -79.683
flat angles P-C4'-P energy: -61.213
tors. eta vs tors. theta energy: -32.289
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: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -482.697563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.697563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.697563 (E_RNA)
where:
Base-Base interactions energy: -192.230
where: short stacking energy: -130.372
Base-Backbone interact. energy: 2.849
local terms energy: -293.317000
where:
bonds (distance) C4'-P energy: -82.729
bonds (distance) P-C4' energy: -83.321
flat angles C4'-P-C4' energy: -94.163
flat angles P-C4'-P energy: -38.741
tors. eta vs tors. theta energy: 5.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1933.635950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.635950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.635950 (E_RNA)
where:
Base-Base interactions energy: -1335.930
where: short stacking energy: -569.798
Base-Backbone interact. energy: -4.525
local terms energy: -593.180210
where:
bonds (distance) C4'-P energy: -102.486
bonds (distance) P-C4' energy: -109.774
flat angles C4'-P-C4' energy: -127.480
flat angles P-C4'-P energy: -86.924
tors. eta vs tors. theta energy: -166.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1894.462219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.462219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.462219 (E_RNA)
where:
Base-Base interactions energy: -1287.824
where: short stacking energy: -562.821
Base-Backbone interact. energy: -2.315
local terms energy: -604.323279
where:
bonds (distance) C4'-P energy: -109.049
bonds (distance) P-C4' energy: -111.648
flat angles C4'-P-C4' energy: -127.913
flat angles P-C4'-P energy: -82.296
tors. eta vs tors. theta energy: -173.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1748.275201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.275201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.275201 (E_RNA)
where:
Base-Base interactions energy: -1204.542
where: short stacking energy: -484.237
Base-Backbone interact. energy: -4.798
local terms energy: -538.935103
where:
bonds (distance) C4'-P energy: -100.503
bonds (distance) P-C4' energy: -105.373
flat angles C4'-P-C4' energy: -118.576
flat angles P-C4'-P energy: -77.469
tors. eta vs tors. theta energy: -137.014
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: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1630.972014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.972014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.972014 (E_RNA)
where:
Base-Base interactions energy: -1107.164
where: short stacking energy: -480.766
Base-Backbone interact. energy: -1.491
local terms energy: -522.316866
where:
bonds (distance) C4'-P energy: -102.983
bonds (distance) P-C4' energy: -114.777
flat angles C4'-P-C4' energy: -99.573
flat angles P-C4'-P energy: -83.754
tors. eta vs tors. theta energy: -121.229
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: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1532.205300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.205300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.205300 (E_RNA)
where:
Base-Base interactions energy: -1001.354
where: short stacking energy: -423.397
Base-Backbone interact. energy: -2.430
local terms energy: -528.421541
where:
bonds (distance) C4'-P energy: -99.813
bonds (distance) P-C4' energy: -115.135
flat angles C4'-P-C4' energy: -117.785
flat angles P-C4'-P energy: -74.357
tors. eta vs tors. theta energy: -121.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1561.086093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.086093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.086093 (E_RNA)
where:
Base-Base interactions energy: -1069.612
where: short stacking energy: -454.051
Base-Backbone interact. energy: -0.242
local terms energy: -491.231118
where:
bonds (distance) C4'-P energy: -91.459
bonds (distance) P-C4' energy: -107.115
flat angles C4'-P-C4' energy: -99.756
flat angles P-C4'-P energy: -70.618
tors. eta vs tors. theta energy: -122.283
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: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1429.304423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.304423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.304423 (E_RNA)
where:
Base-Base interactions energy: -1014.254
where: short stacking energy: -428.187
Base-Backbone interact. energy: -2.026
local terms energy: -413.024465
where:
bonds (distance) C4'-P energy: -80.779
bonds (distance) P-C4' energy: -68.621
flat angles C4'-P-C4' energy: -93.575
flat angles P-C4'-P energy: -59.190
tors. eta vs tors. theta energy: -110.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1269.242877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.242877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.242877 (E_RNA)
where:
Base-Base interactions energy: -852.275
where: short stacking energy: -376.058
Base-Backbone interact. energy: -1.914
local terms energy: -415.053250
where:
bonds (distance) C4'-P energy: -73.670
bonds (distance) P-C4' energy: -93.944
flat angles C4'-P-C4' energy: -98.215
flat angles P-C4'-P energy: -65.832
tors. eta vs tors. theta energy: -83.393
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: 447
Temperature: 1.300000
Total energy: -852.563253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.563253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.563253 (E_RNA)
where:
Base-Base interactions energy: -509.924
where: short stacking energy: -234.935
Base-Backbone interact. energy: 1.496
local terms energy: -344.135371
where:
bonds (distance) C4'-P energy: -87.305
bonds (distance) P-C4' energy: -101.711
flat angles C4'-P-C4' energy: -81.537
flat angles P-C4'-P energy: -45.497
tors. eta vs tors. theta energy: -28.086
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: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -536.152121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.152121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.152121 (E_RNA)
where:
Base-Base interactions energy: -274.033
where: short stacking energy: -154.278
Base-Backbone interact. energy: -0.619
local terms energy: -261.499831
where:
bonds (distance) C4'-P energy: -75.975
bonds (distance) P-C4' energy: -93.412
flat angles C4'-P-C4' energy: -87.970
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: 12.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1924.182002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.182002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.182002 (E_RNA)
where:
Base-Base interactions energy: -1331.620
where: short stacking energy: -574.614
Base-Backbone interact. energy: -3.443
local terms energy: -589.118641
where:
bonds (distance) C4'-P energy: -111.738
bonds (distance) P-C4' energy: -105.337
flat angles C4'-P-C4' energy: -120.227
flat angles P-C4'-P energy: -81.107
tors. eta vs tors. theta energy: -170.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1889.112632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.112632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.112632 (E_RNA)
where:
Base-Base interactions energy: -1278.245
where: short stacking energy: -540.348
Base-Backbone interact. energy: -5.302
local terms energy: -605.564872
where:
bonds (distance) C4'-P energy: -99.678
bonds (distance) P-C4' energy: -120.018
flat angles C4'-P-C4' energy: -134.217
flat angles P-C4'-P energy: -84.272
tors. eta vs tors. theta energy: -167.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1681.086139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.086139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.086139 (E_RNA)
where:
Base-Base interactions energy: -1132.493
where: short stacking energy: -485.987
Base-Backbone interact. energy: -3.011
local terms energy: -545.582074
where:
bonds (distance) C4'-P energy: -101.936
bonds (distance) P-C4' energy: -109.794
flat angles C4'-P-C4' energy: -106.022
flat angles P-C4'-P energy: -80.404
tors. eta vs tors. theta energy: -147.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1691.413731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.413731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.413731 (E_RNA)
where:
Base-Base interactions energy: -1172.667
where: short stacking energy: -468.862
Base-Backbone interact. energy: 2.166
local terms energy: -520.912916
where:
bonds (distance) C4'-P energy: -89.502
bonds (distance) P-C4' energy: -109.273
flat angles C4'-P-C4' energy: -114.069
flat angles P-C4'-P energy: -66.619
tors. eta vs tors. theta energy: -141.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1568.970966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.970966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.970966 (E_RNA)
where:
Base-Base interactions energy: -1056.900
where: short stacking energy: -470.303
Base-Backbone interact. energy: -0.584
local terms energy: -511.487102
where:
bonds (distance) C4'-P energy: -103.639
bonds (distance) P-C4' energy: -92.005
flat angles C4'-P-C4' energy: -112.302
flat angles P-C4'-P energy: -78.995
tors. eta vs tors. theta energy: -124.545
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: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1486.619354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.619354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.619354 (E_RNA)
where:
Base-Base interactions energy: -989.697
where: short stacking energy: -433.941
Base-Backbone interact. energy: -2.784
local terms energy: -494.139023
where:
bonds (distance) C4'-P energy: -100.126
bonds (distance) P-C4' energy: -106.383
flat angles C4'-P-C4' energy: -104.592
flat angles P-C4'-P energy: -73.018
tors. eta vs tors. theta energy: -110.020
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: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1468.326583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.326583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.326583 (E_RNA)
where:
Base-Base interactions energy: -998.743
where: short stacking energy: -415.856
Base-Backbone interact. energy: -0.068
local terms energy: -469.514870
where:
bonds (distance) C4'-P energy: -101.533
bonds (distance) P-C4' energy: -86.304
flat angles C4'-P-C4' energy: -105.988
flat angles P-C4'-P energy: -70.651
tors. eta vs tors. theta energy: -105.039
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: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1256.843420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.843420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.843420 (E_RNA)
where:
Base-Base interactions energy: -800.814
where: short stacking energy: -347.825
Base-Backbone interact. energy: -1.358
local terms energy: -454.672126
where:
bonds (distance) C4'-P energy: -99.309
bonds (distance) P-C4' energy: -92.097
flat angles C4'-P-C4' energy: -99.045
flat angles P-C4'-P energy: -74.807
tors. eta vs tors. theta energy: -89.415
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: 448
Temperature: 1.300000
Total energy: -853.634190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.634190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.634190 (E_RNA)
where:
Base-Base interactions energy: -504.285
where: short stacking energy: -236.137
Base-Backbone interact. energy: -2.614
local terms energy: -346.735126
where:
bonds (distance) C4'-P energy: -100.066
bonds (distance) P-C4' energy: -87.802
flat angles C4'-P-C4' energy: -84.188
flat angles P-C4'-P energy: -50.492
tors. eta vs tors. theta energy: -24.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -540.164350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.164350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.164350 (E_RNA)
where:
Base-Base interactions energy: -226.819
where: short stacking energy: -133.556
Base-Backbone interact. energy: -1.005
local terms energy: -312.339781
where:
bonds (distance) C4'-P energy: -96.325
bonds (distance) P-C4' energy: -74.627
flat angles C4'-P-C4' energy: -87.576
flat angles P-C4'-P energy: -62.928
tors. eta vs tors. theta energy: 9.116
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: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1935.860082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.860082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.860082 (E_RNA)
where:
Base-Base interactions energy: -1337.351
where: short stacking energy: -557.643
Base-Backbone interact. energy: -2.310
local terms energy: -596.198492
where:
bonds (distance) C4'-P energy: -103.823
bonds (distance) P-C4' energy: -104.341
flat angles C4'-P-C4' energy: -130.039
flat angles P-C4'-P energy: -91.901
tors. eta vs tors. theta energy: -166.095
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: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1856.952539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.952539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.952539 (E_RNA)
where:
Base-Base interactions energy: -1272.172
where: short stacking energy: -554.942
Base-Backbone interact. energy: -2.841
local terms energy: -581.938954
where:
bonds (distance) C4'-P energy: -90.603
bonds (distance) P-C4' energy: -110.400
flat angles C4'-P-C4' energy: -129.616
flat angles P-C4'-P energy: -86.584
tors. eta vs tors. theta energy: -164.735
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: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1698.074709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.074709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.074709 (E_RNA)
where:
Base-Base interactions energy: -1174.706
where: short stacking energy: -514.573
Base-Backbone interact. energy: -2.377
local terms energy: -520.992339
where:
bonds (distance) C4'-P energy: -99.879
bonds (distance) P-C4' energy: -113.862
flat angles C4'-P-C4' energy: -111.547
flat angles P-C4'-P energy: -66.236
tors. eta vs tors. theta energy: -129.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1747.095692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.095692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.095692 (E_RNA)
where:
Base-Base interactions energy: -1210.658
where: short stacking energy: -500.362
Base-Backbone interact. energy: -5.172
local terms energy: -531.265813
where:
bonds (distance) C4'-P energy: -109.899
bonds (distance) P-C4' energy: -97.318
flat angles C4'-P-C4' energy: -108.925
flat angles P-C4'-P energy: -67.430
tors. eta vs tors. theta energy: -147.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1565.412910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.412910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.412910 (E_RNA)
where:
Base-Base interactions energy: -1065.679
where: short stacking energy: -471.449
Base-Backbone interact. energy: 0.693
local terms energy: -500.426369
where:
bonds (distance) C4'-P energy: -95.959
bonds (distance) P-C4' energy: -96.112
flat angles C4'-P-C4' energy: -118.734
flat angles P-C4'-P energy: -69.510
tors. eta vs tors. theta energy: -120.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1511.616683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.616683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.616683 (E_RNA)
where:
Base-Base interactions energy: -1035.032
where: short stacking energy: -426.903
Base-Backbone interact. energy: -0.798
local terms energy: -475.786386
where:
bonds (distance) C4'-P energy: -90.255
bonds (distance) P-C4' energy: -91.478
flat angles C4'-P-C4' energy: -107.198
flat angles P-C4'-P energy: -73.542
tors. eta vs tors. theta energy: -113.314
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: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1470.299678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.299678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.299678 (E_RNA)
where:
Base-Base interactions energy: -1010.445
where: short stacking energy: -435.831
Base-Backbone interact. energy: -0.964
local terms energy: -458.890921
where:
bonds (distance) C4'-P energy: -82.693
bonds (distance) P-C4' energy: -92.180
flat angles C4'-P-C4' energy: -96.809
flat angles P-C4'-P energy: -71.393
tors. eta vs tors. theta energy: -115.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1295.444114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.444114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.444114 (E_RNA)
where:
Base-Base interactions energy: -878.160
where: short stacking energy: -377.408
Base-Backbone interact. energy: -0.017
local terms energy: -417.266765
where:
bonds (distance) C4'-P energy: -75.731
bonds (distance) P-C4' energy: -83.554
flat angles C4'-P-C4' energy: -98.813
flat angles P-C4'-P energy: -53.117
tors. eta vs tors. theta energy: -106.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -842.156658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.156658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.156658 (E_RNA)
where:
Base-Base interactions energy: -503.717
where: short stacking energy: -226.260
Base-Backbone interact. energy: -2.448
local terms energy: -335.991914
where:
bonds (distance) C4'-P energy: -90.542
bonds (distance) P-C4' energy: -96.459
flat angles C4'-P-C4' energy: -86.093
flat angles P-C4'-P energy: -50.563
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -522.398370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.398370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.398370 (E_RNA)
where:
Base-Base interactions energy: -246.215
where: short stacking energy: -130.573
Base-Backbone interact. energy: 0.510
local terms energy: -276.693143
where:
bonds (distance) C4'-P energy: -90.672
bonds (distance) P-C4' energy: -102.250
flat angles C4'-P-C4' energy: -52.648
flat angles P-C4'-P energy: -45.056
tors. eta vs tors. theta energy: 13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1927.330408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.330408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.330408 (E_RNA)
where:
Base-Base interactions energy: -1314.741
where: short stacking energy: -577.318
Base-Backbone interact. energy: -1.703
local terms energy: -610.886112
where:
bonds (distance) C4'-P energy: -117.814
bonds (distance) P-C4' energy: -116.007
flat angles C4'-P-C4' energy: -124.828
flat angles P-C4'-P energy: -82.284
tors. eta vs tors. theta energy: -169.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1886.625065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.625065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.625065 (E_RNA)
where:
Base-Base interactions energy: -1297.594
where: short stacking energy: -549.599
Base-Backbone interact. energy: -0.440
local terms energy: -588.591121
where:
bonds (distance) C4'-P energy: -104.401
bonds (distance) P-C4' energy: -107.045
flat angles C4'-P-C4' energy: -116.544
flat angles P-C4'-P energy: -91.802
tors. eta vs tors. theta energy: -168.799
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: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1741.452551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.452551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.452551 (E_RNA)
where:
Base-Base interactions energy: -1210.512
where: short stacking energy: -538.451
Base-Backbone interact. energy: -2.202
local terms energy: -528.738354
where:
bonds (distance) C4'-P energy: -95.115
bonds (distance) P-C4' energy: -102.454
flat angles C4'-P-C4' energy: -108.721
flat angles P-C4'-P energy: -77.430
tors. eta vs tors. theta energy: -145.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1697.548932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.548932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.548932 (E_RNA)
where:
Base-Base interactions energy: -1168.371
where: short stacking energy: -478.992
Base-Backbone interact. energy: -0.978
local terms energy: -528.200139
where:
bonds (distance) C4'-P energy: -99.333
bonds (distance) P-C4' energy: -101.127
flat angles C4'-P-C4' energy: -112.382
flat angles P-C4'-P energy: -72.844
tors. eta vs tors. theta energy: -142.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1565.728545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.728545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.728545 (E_RNA)
where:
Base-Base interactions energy: -1078.137
where: short stacking energy: -466.953
Base-Backbone interact. energy: -2.312
local terms energy: -485.279678
where:
bonds (distance) C4'-P energy: -88.460
bonds (distance) P-C4' energy: -106.854
flat angles C4'-P-C4' energy: -101.028
flat angles P-C4'-P energy: -65.243
tors. eta vs tors. theta energy: -123.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1519.970793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.970793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.970793 (E_RNA)
where:
Base-Base interactions energy: -996.441
where: short stacking energy: -438.850
Base-Backbone interact. energy: 2.210
local terms energy: -525.740250
where:
bonds (distance) C4'-P energy: -101.287
bonds (distance) P-C4' energy: -120.015
flat angles C4'-P-C4' energy: -118.777
flat angles P-C4'-P energy: -69.878
tors. eta vs tors. theta energy: -115.782
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: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1365.574753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.574753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.574753 (E_RNA)
where:
Base-Base interactions energy: -912.079
where: short stacking energy: -379.449
Base-Backbone interact. energy: 0.206
local terms energy: -453.701888
where:
bonds (distance) C4'-P energy: -83.979
bonds (distance) P-C4' energy: -103.597
flat angles C4'-P-C4' energy: -105.398
flat angles P-C4'-P energy: -58.289
tors. eta vs tors. theta energy: -102.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1444.833220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.833220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.833220 (E_RNA)
where:
Base-Base interactions energy: -973.774
where: short stacking energy: -421.329
Base-Backbone interact. energy: 0.425
local terms energy: -471.484325
where:
bonds (distance) C4'-P energy: -101.047
bonds (distance) P-C4' energy: -105.388
flat angles C4'-P-C4' energy: -92.813
flat angles P-C4'-P energy: -61.422
tors. eta vs tors. theta energy: -110.814
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: 450
Temperature: 1.300000
Total energy: -814.453246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.453246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.453246 (E_RNA)
where:
Base-Base interactions energy: -435.559
where: short stacking energy: -223.078
Base-Backbone interact. energy: -2.548
local terms energy: -376.345385
where:
bonds (distance) C4'-P energy: -103.796
bonds (distance) P-C4' energy: -86.409
flat angles C4'-P-C4' energy: -92.564
flat angles P-C4'-P energy: -59.979
tors. eta vs tors. theta energy: -33.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -507.691731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.691731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.691731 (E_RNA)
where:
Base-Base interactions energy: -208.065
where: short stacking energy: -146.929
Base-Backbone interact. energy: -0.586
local terms energy: -299.041155
where:
bonds (distance) C4'-P energy: -96.381
bonds (distance) P-C4' energy: -71.629
flat angles C4'-P-C4' energy: -74.828
flat angles P-C4'-P energy: -65.761
tors. eta vs tors. theta energy: 9.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1890.178272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.178272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.178272 (E_RNA)
where:
Base-Base interactions energy: -1331.493
where: short stacking energy: -564.371
Base-Backbone interact. energy: -3.066
local terms energy: -555.619978
where:
bonds (distance) C4'-P energy: -112.973
bonds (distance) P-C4' energy: -88.873
flat angles C4'-P-C4' energy: -132.393
flat angles P-C4'-P energy: -63.401
tors. eta vs tors. theta energy: -157.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1879.426214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.426214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.426214 (E_RNA)
where:
Base-Base interactions energy: -1303.975
where: short stacking energy: -566.006
Base-Backbone interact. energy: -1.852
local terms energy: -573.599587
where:
bonds (distance) C4'-P energy: -110.062
bonds (distance) P-C4' energy: -94.690
flat angles C4'-P-C4' energy: -120.095
flat angles P-C4'-P energy: -82.718
tors. eta vs tors. theta energy: -166.035
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: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1742.412068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.412068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.412068 (E_RNA)
where:
Base-Base interactions energy: -1185.262
where: short stacking energy: -510.699
Base-Backbone interact. energy: 1.729
local terms energy: -558.879214
where:
bonds (distance) C4'-P energy: -88.668
bonds (distance) P-C4' energy: -109.139
flat angles C4'-P-C4' energy: -126.251
flat angles P-C4'-P energy: -88.758
tors. eta vs tors. theta energy: -146.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1724.169687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.169687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.169687 (E_RNA)
where:
Base-Base interactions energy: -1184.852
where: short stacking energy: -488.832
Base-Backbone interact. energy: -2.273
local terms energy: -537.044990
where:
bonds (distance) C4'-P energy: -113.930
bonds (distance) P-C4' energy: -110.934
flat angles C4'-P-C4' energy: -111.946
flat angles P-C4'-P energy: -60.395
tors. eta vs tors. theta energy: -139.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1548.424540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.424540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.424540 (E_RNA)
where:
Base-Base interactions energy: -1032.160
where: short stacking energy: -464.493
Base-Backbone interact. energy: 0.715
local terms energy: -516.979890
where:
bonds (distance) C4'-P energy: -107.664
bonds (distance) P-C4' energy: -111.127
flat angles C4'-P-C4' energy: -99.857
flat angles P-C4'-P energy: -74.298
tors. eta vs tors. theta energy: -124.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1557.900628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.900628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.900628 (E_RNA)
where:
Base-Base interactions energy: -1053.402
where: short stacking energy: -473.818
Base-Backbone interact. energy: -0.704
local terms energy: -503.794538
where:
bonds (distance) C4'-P energy: -88.532
bonds (distance) P-C4' energy: -116.693
flat angles C4'-P-C4' energy: -108.812
flat angles P-C4'-P energy: -59.040
tors. eta vs tors. theta energy: -130.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1357.194524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.194524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.194524 (E_RNA)
where:
Base-Base interactions energy: -925.227
where: short stacking energy: -384.120
Base-Backbone interact. energy: 1.020
local terms energy: -432.988133
where:
bonds (distance) C4'-P energy: -84.282
bonds (distance) P-C4' energy: -95.741
flat angles C4'-P-C4' energy: -98.649
flat angles P-C4'-P energy: -64.216
tors. eta vs tors. theta energy: -90.100
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: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1415.093012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.093012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.093012 (E_RNA)
where:
Base-Base interactions energy: -951.237
where: short stacking energy: -421.396
Base-Backbone interact. energy: -1.418
local terms energy: -462.438036
where:
bonds (distance) C4'-P energy: -93.670
bonds (distance) P-C4' energy: -103.606
flat angles C4'-P-C4' energy: -102.652
flat angles P-C4'-P energy: -61.117
tors. eta vs tors. theta energy: -101.393
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: 451
Temperature: 1.300000
Total energy: -851.939036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.939036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.939036 (E_RNA)
where:
Base-Base interactions energy: -496.623
where: short stacking energy: -231.246
Base-Backbone interact. energy: -0.401
local terms energy: -354.915447
where:
bonds (distance) C4'-P energy: -80.871
bonds (distance) P-C4' energy: -93.915
flat angles C4'-P-C4' energy: -86.813
flat angles P-C4'-P energy: -70.334
tors. eta vs tors. theta energy: -22.983
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: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -514.627644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.627644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.627644 (E_RNA)
where:
Base-Base interactions energy: -229.707
where: short stacking energy: -137.845
Base-Backbone interact. energy: 3.997
local terms energy: -288.916988
where:
bonds (distance) C4'-P energy: -82.604
bonds (distance) P-C4' energy: -95.527
flat angles C4'-P-C4' energy: -73.742
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: 12.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1908.139515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.139515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.139515 (E_RNA)
where:
Base-Base interactions energy: -1315.708
where: short stacking energy: -571.967
Base-Backbone interact. energy: -2.128
local terms energy: -590.303978
where:
bonds (distance) C4'-P energy: -90.374
bonds (distance) P-C4' energy: -107.447
flat angles C4'-P-C4' energy: -129.186
flat angles P-C4'-P energy: -93.951
tors. eta vs tors. theta energy: -169.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1850.367315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.367315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.367315 (E_RNA)
where:
Base-Base interactions energy: -1250.229
where: short stacking energy: -547.427
Base-Backbone interact. energy: -5.020
local terms energy: -595.117608
where:
bonds (distance) C4'-P energy: -106.352
bonds (distance) P-C4' energy: -113.833
flat angles C4'-P-C4' energy: -125.698
flat angles P-C4'-P energy: -79.352
tors. eta vs tors. theta energy: -169.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1725.167774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.167774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.167774 (E_RNA)
where:
Base-Base interactions energy: -1164.221
where: short stacking energy: -495.846
Base-Backbone interact. energy: -0.479
local terms energy: -560.467520
where:
bonds (distance) C4'-P energy: -96.083
bonds (distance) P-C4' energy: -118.482
flat angles C4'-P-C4' energy: -120.107
flat angles P-C4'-P energy: -82.229
tors. eta vs tors. theta energy: -143.567
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: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1731.669310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.669310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.669310 (E_RNA)
where:
Base-Base interactions energy: -1194.647
where: short stacking energy: -532.958
Base-Backbone interact. energy: -1.285
local terms energy: -535.737248
where:
bonds (distance) C4'-P energy: -93.935
bonds (distance) P-C4' energy: -98.061
flat angles C4'-P-C4' energy: -118.638
flat angles P-C4'-P energy: -73.790
tors. eta vs tors. theta energy: -151.314
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: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1583.827442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.827442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.827442 (E_RNA)
where:
Base-Base interactions energy: -1042.492
where: short stacking energy: -455.741
Base-Backbone interact. energy: 0.097
local terms energy: -541.432806
where:
bonds (distance) C4'-P energy: -101.234
bonds (distance) P-C4' energy: -94.626
flat angles C4'-P-C4' energy: -119.734
flat angles P-C4'-P energy: -88.099
tors. eta vs tors. theta energy: -137.740
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: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1494.116230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.116230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.116230 (E_RNA)
where:
Base-Base interactions energy: -989.441
where: short stacking energy: -415.088
Base-Backbone interact. energy: -3.545
local terms energy: -501.130578
where:
bonds (distance) C4'-P energy: -101.943
bonds (distance) P-C4' energy: -109.549
flat angles C4'-P-C4' energy: -111.337
flat angles P-C4'-P energy: -66.162
tors. eta vs tors. theta energy: -112.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1433.513359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.513359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.513359 (E_RNA)
where:
Base-Base interactions energy: -976.483
where: short stacking energy: -419.814
Base-Backbone interact. energy: -5.021
local terms energy: -452.009770
where:
bonds (distance) C4'-P energy: -98.146
bonds (distance) P-C4' energy: -87.160
flat angles C4'-P-C4' energy: -106.296
flat angles P-C4'-P energy: -52.883
tors. eta vs tors. theta energy: -107.524
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: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1310.614927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.614927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.614927 (E_RNA)
where:
Base-Base interactions energy: -875.345
where: short stacking energy: -354.087
Base-Backbone interact. energy: 0.918
local terms energy: -436.187723
where:
bonds (distance) C4'-P energy: -97.516
bonds (distance) P-C4' energy: -80.074
flat angles C4'-P-C4' energy: -106.972
flat angles P-C4'-P energy: -67.683
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: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -846.259303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.259303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.259303 (E_RNA)
where:
Base-Base interactions energy: -492.581
where: short stacking energy: -252.591
Base-Backbone interact. energy: 1.845
local terms energy: -355.523129
where:
bonds (distance) C4'-P energy: -88.385
bonds (distance) P-C4' energy: -97.288
flat angles C4'-P-C4' energy: -78.975
flat angles P-C4'-P energy: -49.470
tors. eta vs tors. theta energy: -41.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -552.455368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.455368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.455368 (E_RNA)
where:
Base-Base interactions energy: -243.140
where: short stacking energy: -158.563
Base-Backbone interact. energy: 0.205
local terms energy: -309.520018
where:
bonds (distance) C4'-P energy: -88.033
bonds (distance) P-C4' energy: -82.858
flat angles C4'-P-C4' energy: -93.841
flat angles P-C4'-P energy: -42.252
tors. eta vs tors. theta energy: -2.536
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: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1911.271725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.271725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.271725 (E_RNA)
where:
Base-Base interactions energy: -1320.747
where: short stacking energy: -583.365
Base-Backbone interact. energy: -0.403
local terms energy: -590.121020
where:
bonds (distance) C4'-P energy: -110.092
bonds (distance) P-C4' energy: -108.205
flat angles C4'-P-C4' energy: -128.912
flat angles P-C4'-P energy: -81.886
tors. eta vs tors. theta energy: -161.026
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: 453
Temperature: 0.950000
Total energy: -1884.719001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.719001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.719001 (E_RNA)
where:
Base-Base interactions energy: -1301.333
where: short stacking energy: -552.284
Base-Backbone interact. energy: -2.559
local terms energy: -580.827548
where:
bonds (distance) C4'-P energy: -105.939
bonds (distance) P-C4' energy: -113.801
flat angles C4'-P-C4' energy: -112.151
flat angles P-C4'-P energy: -76.702
tors. eta vs tors. theta energy: -172.235
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: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1755.997632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.997632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.997632 (E_RNA)
where:
Base-Base interactions energy: -1208.802
where: short stacking energy: -520.271
Base-Backbone interact. energy: -3.555
local terms energy: -543.640221
where:
bonds (distance) C4'-P energy: -106.257
bonds (distance) P-C4' energy: -98.575
flat angles C4'-P-C4' energy: -124.373
flat angles P-C4'-P energy: -72.319
tors. eta vs tors. theta energy: -142.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1699.168777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.168777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.168777 (E_RNA)
where:
Base-Base interactions energy: -1175.360
where: short stacking energy: -492.682
Base-Backbone interact. energy: -2.485
local terms energy: -521.323800
where:
bonds (distance) C4'-P energy: -91.899
bonds (distance) P-C4' energy: -97.336
flat angles C4'-P-C4' energy: -120.124
flat angles P-C4'-P energy: -73.910
tors. eta vs tors. theta energy: -138.055
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: 453
Temperature: 1.100000
Total energy: -1547.463515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.463515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.463515 (E_RNA)
where:
Base-Base interactions energy: -1038.792
where: short stacking energy: -451.028
Base-Backbone interact. energy: -0.556
local terms energy: -508.115922
where:
bonds (distance) C4'-P energy: -104.500
bonds (distance) P-C4' energy: -95.329
flat angles C4'-P-C4' energy: -113.461
flat angles P-C4'-P energy: -71.424
tors. eta vs tors. theta energy: -123.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1475.683366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.683366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.683366 (E_RNA)
where:
Base-Base interactions energy: -981.676
where: short stacking energy: -430.672
Base-Backbone interact. energy: 0.061
local terms energy: -494.069093
where:
bonds (distance) C4'-P energy: -96.042
bonds (distance) P-C4' energy: -76.470
flat angles C4'-P-C4' energy: -111.239
flat angles P-C4'-P energy: -88.844
tors. eta vs tors. theta energy: -121.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1445.684137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.684137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.684137 (E_RNA)
where:
Base-Base interactions energy: -983.938
where: short stacking energy: -426.595
Base-Backbone interact. energy: -1.029
local terms energy: -460.717211
where:
bonds (distance) C4'-P energy: -104.938
bonds (distance) P-C4' energy: -90.790
flat angles C4'-P-C4' energy: -91.314
flat angles P-C4'-P energy: -67.263
tors. eta vs tors. theta energy: -106.412
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: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1280.339585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.339585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.339585 (E_RNA)
where:
Base-Base interactions energy: -844.461
where: short stacking energy: -374.945
Base-Backbone interact. energy: -0.805
local terms energy: -435.073250
where:
bonds (distance) C4'-P energy: -76.533
bonds (distance) P-C4' energy: -105.583
flat angles C4'-P-C4' energy: -105.011
flat angles P-C4'-P energy: -64.078
tors. eta vs tors. theta energy: -83.868
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: 453
Temperature: 1.300000
Total energy: -860.649311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.649311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.649311 (E_RNA)
where:
Base-Base interactions energy: -487.581
where: short stacking energy: -232.360
Base-Backbone interact. energy: -2.215
local terms energy: -370.853728
where:
bonds (distance) C4'-P energy: -97.711
bonds (distance) P-C4' energy: -84.515
flat angles C4'-P-C4' energy: -87.122
flat angles P-C4'-P energy: -65.972
tors. eta vs tors. theta energy: -35.535
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: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -531.791409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.791409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.791409 (E_RNA)
where:
Base-Base interactions energy: -260.497
where: short stacking energy: -183.181
Base-Backbone interact. energy: 0.780
local terms energy: -272.074098
where:
bonds (distance) C4'-P energy: -77.450
bonds (distance) P-C4' energy: -89.267
flat angles C4'-P-C4' energy: -71.926
flat angles P-C4'-P energy: -42.518
tors. eta vs tors. theta energy: 9.088
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: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1931.920895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.920895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.920895 (E_RNA)
where:
Base-Base interactions energy: -1336.925
where: short stacking energy: -574.697
Base-Backbone interact. energy: 0.950
local terms energy: -595.946304
where:
bonds (distance) C4'-P energy: -102.415
bonds (distance) P-C4' energy: -102.485
flat angles C4'-P-C4' energy: -129.311
flat angles P-C4'-P energy: -78.119
tors. eta vs tors. theta energy: -183.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1872.130461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.130461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.130461 (E_RNA)
where:
Base-Base interactions energy: -1297.452
where: short stacking energy: -558.473
Base-Backbone interact. energy: -3.367
local terms energy: -571.311491
where:
bonds (distance) C4'-P energy: -91.221
bonds (distance) P-C4' energy: -104.147
flat angles C4'-P-C4' energy: -122.016
flat angles P-C4'-P energy: -84.110
tors. eta vs tors. theta energy: -169.818
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: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1731.142034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.142034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.142034 (E_RNA)
where:
Base-Base interactions energy: -1183.448
where: short stacking energy: -500.460
Base-Backbone interact. energy: -3.592
local terms energy: -544.102604
where:
bonds (distance) C4'-P energy: -106.977
bonds (distance) P-C4' energy: -111.339
flat angles C4'-P-C4' energy: -111.661
flat angles P-C4'-P energy: -74.469
tors. eta vs tors. theta energy: -139.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1667.650287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.650287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.650287 (E_RNA)
where:
Base-Base interactions energy: -1136.689
where: short stacking energy: -504.238
Base-Backbone interact. energy: -1.430
local terms energy: -529.530969
where:
bonds (distance) C4'-P energy: -92.746
bonds (distance) P-C4' energy: -110.121
flat angles C4'-P-C4' energy: -119.189
flat angles P-C4'-P energy: -76.347
tors. eta vs tors. theta energy: -131.128
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: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1589.017801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.017801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.017801 (E_RNA)
where:
Base-Base interactions energy: -1078.115
where: short stacking energy: -496.483
Base-Backbone interact. energy: -0.799
local terms energy: -510.104390
where:
bonds (distance) C4'-P energy: -85.488
bonds (distance) P-C4' energy: -90.132
flat angles C4'-P-C4' energy: -115.082
flat angles P-C4'-P energy: -83.440
tors. eta vs tors. theta energy: -135.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1478.332945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.332945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.332945 (E_RNA)
where:
Base-Base interactions energy: -985.753
where: short stacking energy: -417.881
Base-Backbone interact. energy: 1.804
local terms energy: -494.384565
where:
bonds (distance) C4'-P energy: -103.023
bonds (distance) P-C4' energy: -108.288
flat angles C4'-P-C4' energy: -103.092
flat angles P-C4'-P energy: -78.620
tors. eta vs tors. theta energy: -101.362
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: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1420.508245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.508245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.508245 (E_RNA)
where:
Base-Base interactions energy: -993.110
where: short stacking energy: -415.021
Base-Backbone interact. energy: 1.743
local terms energy: -429.140621
where:
bonds (distance) C4'-P energy: -94.026
bonds (distance) P-C4' energy: -71.865
flat angles C4'-P-C4' energy: -86.782
flat angles P-C4'-P energy: -70.947
tors. eta vs tors. theta energy: -105.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1259.531296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.531296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.531296 (E_RNA)
where:
Base-Base interactions energy: -851.178
where: short stacking energy: -351.891
Base-Backbone interact. energy: -3.731
local terms energy: -404.621979
where:
bonds (distance) C4'-P energy: -97.937
bonds (distance) P-C4' energy: -81.720
flat angles C4'-P-C4' energy: -107.442
flat angles P-C4'-P energy: -41.094
tors. eta vs tors. theta energy: -76.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -866.928743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.928743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.928743 (E_RNA)
where:
Base-Base interactions energy: -524.101
where: short stacking energy: -248.997
Base-Backbone interact. energy: -1.439
local terms energy: -341.388903
where:
bonds (distance) C4'-P energy: -74.175
bonds (distance) P-C4' energy: -93.003
flat angles C4'-P-C4' energy: -84.330
flat angles P-C4'-P energy: -57.879
tors. eta vs tors. theta energy: -32.002
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: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -495.744442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.744442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.744442 (E_RNA)
where:
Base-Base interactions energy: -223.082
where: short stacking energy: -156.702
Base-Backbone interact. energy: 0.688
local terms energy: -273.349877
where:
bonds (distance) C4'-P energy: -74.524
bonds (distance) P-C4' energy: -92.357
flat angles C4'-P-C4' energy: -68.303
flat angles P-C4'-P energy: -55.781
tors. eta vs tors. theta energy: 17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1917.361125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.361125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.361125 (E_RNA)
where:
Base-Base interactions energy: -1314.219
where: short stacking energy: -580.304
Base-Backbone interact. energy: -0.857
local terms energy: -602.284623
where:
bonds (distance) C4'-P energy: -108.763
bonds (distance) P-C4' energy: -101.689
flat angles C4'-P-C4' energy: -127.498
flat angles P-C4'-P energy: -87.358
tors. eta vs tors. theta energy: -176.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1866.324542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.324542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.324542 (E_RNA)
where:
Base-Base interactions energy: -1264.210
where: short stacking energy: -561.161
Base-Backbone interact. energy: -0.483
local terms energy: -601.631207
where:
bonds (distance) C4'-P energy: -107.144
bonds (distance) P-C4' energy: -107.150
flat angles C4'-P-C4' energy: -127.134
flat angles P-C4'-P energy: -90.931
tors. eta vs tors. theta energy: -169.272
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: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1770.297623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.297623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.297623 (E_RNA)
where:
Base-Base interactions energy: -1207.905
where: short stacking energy: -517.179
Base-Backbone interact. energy: -4.338
local terms energy: -558.054936
where:
bonds (distance) C4'-P energy: -110.204
bonds (distance) P-C4' energy: -107.207
flat angles C4'-P-C4' energy: -115.945
flat angles P-C4'-P energy: -77.813
tors. eta vs tors. theta energy: -146.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1636.398029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.398029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.398029 (E_RNA)
where:
Base-Base interactions energy: -1126.448
where: short stacking energy: -465.415
Base-Backbone interact. energy: -1.834
local terms energy: -508.116255
where:
bonds (distance) C4'-P energy: -87.573
bonds (distance) P-C4' energy: -104.948
flat angles C4'-P-C4' energy: -121.995
flat angles P-C4'-P energy: -57.853
tors. eta vs tors. theta energy: -135.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1564.753372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.753372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.753372 (E_RNA)
where:
Base-Base interactions energy: -1065.671
where: short stacking energy: -461.936
Base-Backbone interact. energy: -2.681
local terms energy: -496.400869
where:
bonds (distance) C4'-P energy: -88.934
bonds (distance) P-C4' energy: -96.124
flat angles C4'-P-C4' energy: -113.052
flat angles P-C4'-P energy: -71.685
tors. eta vs tors. theta energy: -126.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1531.147832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.147832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.147832 (E_RNA)
where:
Base-Base interactions energy: -1021.984
where: short stacking energy: -439.600
Base-Backbone interact. energy: -0.168
local terms energy: -508.995721
where:
bonds (distance) C4'-P energy: -98.774
bonds (distance) P-C4' energy: -100.815
flat angles C4'-P-C4' energy: -107.568
flat angles P-C4'-P energy: -65.922
tors. eta vs tors. theta energy: -135.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1379.717655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.717655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.717655 (E_RNA)
where:
Base-Base interactions energy: -917.367
where: short stacking energy: -375.666
Base-Backbone interact. energy: -1.910
local terms energy: -460.440695
where:
bonds (distance) C4'-P energy: -96.483
bonds (distance) P-C4' energy: -96.378
flat angles C4'-P-C4' energy: -97.808
flat angles P-C4'-P energy: -71.157
tors. eta vs tors. theta energy: -98.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1251.538554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.538554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.538554 (E_RNA)
where:
Base-Base interactions energy: -845.764
where: short stacking energy: -375.051
Base-Backbone interact. energy: 0.886
local terms energy: -406.660420
where:
bonds (distance) C4'-P energy: -64.901
bonds (distance) P-C4' energy: -83.338
flat angles C4'-P-C4' energy: -102.999
flat angles P-C4'-P energy: -70.188
tors. eta vs tors. theta energy: -85.235
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: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -829.677229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.677229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.677229 (E_RNA)
where:
Base-Base interactions energy: -480.138
where: short stacking energy: -221.187
Base-Backbone interact. energy: -1.962
local terms energy: -347.577562
where:
bonds (distance) C4'-P energy: -95.541
bonds (distance) P-C4' energy: -95.512
flat angles C4'-P-C4' energy: -85.626
flat angles P-C4'-P energy: -42.293
tors. eta vs tors. theta energy: -28.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -536.630255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.630255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.630255 (E_RNA)
where:
Base-Base interactions energy: -234.791
where: short stacking energy: -154.317
Base-Backbone interact. energy: 0.128
local terms energy: -301.966748
where:
bonds (distance) C4'-P energy: -94.650
bonds (distance) P-C4' energy: -91.836
flat angles C4'-P-C4' energy: -59.392
flat angles P-C4'-P energy: -54.508
tors. eta vs tors. theta energy: -1.580
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: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1916.104177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.104177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.104177 (E_RNA)
where:
Base-Base interactions energy: -1323.454
where: short stacking energy: -573.993
Base-Backbone interact. energy: -0.921
local terms energy: -591.729586
where:
bonds (distance) C4'-P energy: -101.152
bonds (distance) P-C4' energy: -108.231
flat angles C4'-P-C4' energy: -122.662
flat angles P-C4'-P energy: -83.789
tors. eta vs tors. theta energy: -175.894
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: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1854.672686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.672686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.672686 (E_RNA)
where:
Base-Base interactions energy: -1288.032
where: short stacking energy: -548.384
Base-Backbone interact. energy: 1.876
local terms energy: -568.516025
where:
bonds (distance) C4'-P energy: -118.885
bonds (distance) P-C4' energy: -94.863
flat angles C4'-P-C4' energy: -119.453
flat angles P-C4'-P energy: -77.385
tors. eta vs tors. theta energy: -157.931
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: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1788.536359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.536359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.536359 (E_RNA)
where:
Base-Base interactions energy: -1250.785
where: short stacking energy: -546.952
Base-Backbone interact. energy: 1.466
local terms energy: -539.217979
where:
bonds (distance) C4'-P energy: -102.913
bonds (distance) P-C4' energy: -95.082
flat angles C4'-P-C4' energy: -114.028
flat angles P-C4'-P energy: -72.158
tors. eta vs tors. theta energy: -155.038
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: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1645.958847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.958847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.958847 (E_RNA)
where:
Base-Base interactions energy: -1109.745
where: short stacking energy: -477.407
Base-Backbone interact. energy: -1.800
local terms energy: -534.413976
where:
bonds (distance) C4'-P energy: -95.975
bonds (distance) P-C4' energy: -115.754
flat angles C4'-P-C4' energy: -106.857
flat angles P-C4'-P energy: -82.613
tors. eta vs tors. theta energy: -133.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1566.423862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.423862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.423862 (E_RNA)
where:
Base-Base interactions energy: -1037.580
where: short stacking energy: -450.696
Base-Backbone interact. energy: -1.481
local terms energy: -527.362676
where:
bonds (distance) C4'-P energy: -106.242
bonds (distance) P-C4' energy: -111.009
flat angles C4'-P-C4' energy: -111.082
flat angles P-C4'-P energy: -70.507
tors. eta vs tors. theta energy: -128.522
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: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1557.682241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.682241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.682241 (E_RNA)
where:
Base-Base interactions energy: -1073.544
where: short stacking energy: -441.365
Base-Backbone interact. energy: -3.441
local terms energy: -480.697107
where:
bonds (distance) C4'-P energy: -88.161
bonds (distance) P-C4' energy: -101.635
flat angles C4'-P-C4' energy: -109.452
flat angles P-C4'-P energy: -63.401
tors. eta vs tors. theta energy: -118.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1468.695947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.695947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.695947 (E_RNA)
where:
Base-Base interactions energy: -1008.523
where: short stacking energy: -428.796
Base-Backbone interact. energy: -0.134
local terms energy: -460.039380
where:
bonds (distance) C4'-P energy: -90.751
bonds (distance) P-C4' energy: -74.213
flat angles C4'-P-C4' energy: -103.869
flat angles P-C4'-P energy: -70.251
tors. eta vs tors. theta energy: -120.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1238.565705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.565705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.565705 (E_RNA)
where:
Base-Base interactions energy: -812.942
where: short stacking energy: -363.090
Base-Backbone interact. energy: -2.122
local terms energy: -423.502038
where:
bonds (distance) C4'-P energy: -82.742
bonds (distance) P-C4' energy: -96.423
flat angles C4'-P-C4' energy: -106.499
flat angles P-C4'-P energy: -58.635
tors. eta vs tors. theta energy: -79.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -824.996794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.996794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.996794 (E_RNA)
where:
Base-Base interactions energy: -472.143
where: short stacking energy: -215.211
Base-Backbone interact. energy: 0.478
local terms energy: -353.332569
where:
bonds (distance) C4'-P energy: -69.383
bonds (distance) P-C4' energy: -90.962
flat angles C4'-P-C4' energy: -103.389
flat angles P-C4'-P energy: -46.676
tors. eta vs tors. theta energy: -42.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -515.682591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.682591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.682591 (E_RNA)
where:
Base-Base interactions energy: -250.101
where: short stacking energy: -148.251
Base-Backbone interact. energy: -2.224
local terms energy: -263.357973
where:
bonds (distance) C4'-P energy: -84.331
bonds (distance) P-C4' energy: -82.831
flat angles C4'-P-C4' energy: -71.642
flat angles P-C4'-P energy: -37.634
tors. eta vs tors. theta energy: 13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1917.428273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.428273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.428273 (E_RNA)
where:
Base-Base interactions energy: -1333.426
where: short stacking energy: -590.978
Base-Backbone interact. energy: -1.906
local terms energy: -582.096921
where:
bonds (distance) C4'-P energy: -88.670
bonds (distance) P-C4' energy: -111.790
flat angles C4'-P-C4' energy: -126.211
flat angles P-C4'-P energy: -73.882
tors. eta vs tors. theta energy: -181.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1876.913706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.913706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.913706 (E_RNA)
where:
Base-Base interactions energy: -1300.215
where: short stacking energy: -560.359
Base-Backbone interact. energy: 1.400
local terms energy: -578.098980
where:
bonds (distance) C4'-P energy: -107.512
bonds (distance) P-C4' energy: -101.138
flat angles C4'-P-C4' energy: -119.825
flat angles P-C4'-P energy: -80.568
tors. eta vs tors. theta energy: -169.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1740.266561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.266561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.266561 (E_RNA)
where:
Base-Base interactions energy: -1198.019
where: short stacking energy: -491.588
Base-Backbone interact. energy: -0.635
local terms energy: -541.612394
where:
bonds (distance) C4'-P energy: -109.079
bonds (distance) P-C4' energy: -106.344
flat angles C4'-P-C4' energy: -121.248
flat angles P-C4'-P energy: -59.742
tors. eta vs tors. theta energy: -145.199
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: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1700.275713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.275713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.275713 (E_RNA)
where:
Base-Base interactions energy: -1184.990
where: short stacking energy: -504.752
Base-Backbone interact. energy: -2.286
local terms energy: -513.000357
where:
bonds (distance) C4'-P energy: -87.861
bonds (distance) P-C4' energy: -88.588
flat angles C4'-P-C4' energy: -109.279
flat angles P-C4'-P energy: -79.946
tors. eta vs tors. theta energy: -147.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1593.320533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.320533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.320533 (E_RNA)
where:
Base-Base interactions energy: -1068.667
where: short stacking energy: -481.015
Base-Backbone interact. energy: -1.492
local terms energy: -523.162035
where:
bonds (distance) C4'-P energy: -91.990
bonds (distance) P-C4' energy: -113.924
flat angles C4'-P-C4' energy: -119.487
flat angles P-C4'-P energy: -61.679
tors. eta vs tors. theta energy: -136.082
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: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1561.074435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.074435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.074435 (E_RNA)
where:
Base-Base interactions energy: -1091.269
where: short stacking energy: -462.833
Base-Backbone interact. energy: -0.031
local terms energy: -469.773966
where:
bonds (distance) C4'-P energy: -88.996
bonds (distance) P-C4' energy: -83.964
flat angles C4'-P-C4' energy: -103.823
flat angles P-C4'-P energy: -72.047
tors. eta vs tors. theta energy: -120.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1402.079527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.079527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.079527 (E_RNA)
where:
Base-Base interactions energy: -910.512
where: short stacking energy: -401.871
Base-Backbone interact. energy: -1.539
local terms energy: -490.028945
where:
bonds (distance) C4'-P energy: -97.237
bonds (distance) P-C4' energy: -96.721
flat angles C4'-P-C4' energy: -117.853
flat angles P-C4'-P energy: -71.826
tors. eta vs tors. theta energy: -106.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1260.722816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.722816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.722816 (E_RNA)
where:
Base-Base interactions energy: -810.095
where: short stacking energy: -362.755
Base-Backbone interact. energy: -0.395
local terms energy: -450.232973
where:
bonds (distance) C4'-P energy: -103.303
bonds (distance) P-C4' energy: -93.153
flat angles C4'-P-C4' energy: -108.543
flat angles P-C4'-P energy: -56.934
tors. eta vs tors. theta energy: -88.300
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: 457
Temperature: 1.300000
Total energy: -829.908632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.908632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.908632 (E_RNA)
where:
Base-Base interactions energy: -503.758
where: short stacking energy: -224.523
Base-Backbone interact. energy: 1.846
local terms energy: -327.995842
where:
bonds (distance) C4'-P energy: -76.550
bonds (distance) P-C4' energy: -93.248
flat angles C4'-P-C4' energy: -89.684
flat angles P-C4'-P energy: -38.164
tors. eta vs tors. theta energy: -30.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -480.632651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.632651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.632651 (E_RNA)
where:
Base-Base interactions energy: -205.123
where: short stacking energy: -154.961
Base-Backbone interact. energy: 1.675
local terms energy: -277.184572
where:
bonds (distance) C4'-P energy: -73.435
bonds (distance) P-C4' energy: -79.210
flat angles C4'-P-C4' energy: -86.223
flat angles P-C4'-P energy: -33.880
tors. eta vs tors. theta energy: -4.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1928.395332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.395332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.395332 (E_RNA)
where:
Base-Base interactions energy: -1319.363
where: short stacking energy: -535.829
Base-Backbone interact. energy: -3.856
local terms energy: -605.176103
where:
bonds (distance) C4'-P energy: -114.810
bonds (distance) P-C4' energy: -108.480
flat angles C4'-P-C4' energy: -127.488
flat angles P-C4'-P energy: -84.662
tors. eta vs tors. theta energy: -169.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1881.082430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.082430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.082430 (E_RNA)
where:
Base-Base interactions energy: -1293.933
where: short stacking energy: -555.588
Base-Backbone interact. energy: -3.016
local terms energy: -584.133168
where:
bonds (distance) C4'-P energy: -113.086
bonds (distance) P-C4' energy: -91.703
flat angles C4'-P-C4' energy: -127.332
flat angles P-C4'-P energy: -84.058
tors. eta vs tors. theta energy: -167.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1743.006459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.006459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.006459 (E_RNA)
where:
Base-Base interactions energy: -1199.427
where: short stacking energy: -508.029
Base-Backbone interact. energy: -3.830
local terms energy: -539.749796
where:
bonds (distance) C4'-P energy: -101.495
bonds (distance) P-C4' energy: -91.324
flat angles C4'-P-C4' energy: -124.564
flat angles P-C4'-P energy: -64.079
tors. eta vs tors. theta energy: -158.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1711.414253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.414253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.414253 (E_RNA)
where:
Base-Base interactions energy: -1163.466
where: short stacking energy: -516.959
Base-Backbone interact. energy: -2.211
local terms energy: -545.737070
where:
bonds (distance) C4'-P energy: -92.946
bonds (distance) P-C4' energy: -97.144
flat angles C4'-P-C4' energy: -124.352
flat angles P-C4'-P energy: -83.329
tors. eta vs tors. theta energy: -147.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1587.401652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.401652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.401652 (E_RNA)
where:
Base-Base interactions energy: -1076.723
where: short stacking energy: -460.482
Base-Backbone interact. energy: 1.578
local terms energy: -512.256448
where:
bonds (distance) C4'-P energy: -103.063
bonds (distance) P-C4' energy: -101.401
flat angles C4'-P-C4' energy: -109.294
flat angles P-C4'-P energy: -69.107
tors. eta vs tors. theta energy: -129.391
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: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1524.800026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.800026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.800026 (E_RNA)
where:
Base-Base interactions energy: -1034.242
where: short stacking energy: -446.562
Base-Backbone interact. energy: -1.577
local terms energy: -488.981104
where:
bonds (distance) C4'-P energy: -85.478
bonds (distance) P-C4' energy: -89.940
flat angles C4'-P-C4' energy: -108.673
flat angles P-C4'-P energy: -83.557
tors. eta vs tors. theta energy: -121.333
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: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1455.817765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.817765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.817765 (E_RNA)
where:
Base-Base interactions energy: -969.257
where: short stacking energy: -428.178
Base-Backbone interact. energy: -2.108
local terms energy: -484.453148
where:
bonds (distance) C4'-P energy: -93.098
bonds (distance) P-C4' energy: -100.146
flat angles C4'-P-C4' energy: -101.146
flat angles P-C4'-P energy: -63.274
tors. eta vs tors. theta energy: -126.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1241.908599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.908599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.908599 (E_RNA)
where:
Base-Base interactions energy: -827.059
where: short stacking energy: -341.515
Base-Backbone interact. energy: -2.998
local terms energy: -411.851635
where:
bonds (distance) C4'-P energy: -89.902
bonds (distance) P-C4' energy: -79.757
flat angles C4'-P-C4' energy: -99.796
flat angles P-C4'-P energy: -68.481
tors. eta vs tors. theta energy: -73.916
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: 458
Temperature: 1.300000
Total energy: -854.226398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.226398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.226398 (E_RNA)
where:
Base-Base interactions energy: -510.274
where: short stacking energy: -244.848
Base-Backbone interact. energy: 2.004
local terms energy: -345.956874
where:
bonds (distance) C4'-P energy: -99.218
bonds (distance) P-C4' energy: -83.462
flat angles C4'-P-C4' energy: -93.737
flat angles P-C4'-P energy: -50.892
tors. eta vs tors. theta energy: -18.648
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: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -500.185234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.185234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.185234 (E_RNA)
where:
Base-Base interactions energy: -204.159
where: short stacking energy: -138.784
Base-Backbone interact. energy: 0.959
local terms energy: -296.985007
where:
bonds (distance) C4'-P energy: -97.731
bonds (distance) P-C4' energy: -112.241
flat angles C4'-P-C4' energy: -61.998
flat angles P-C4'-P energy: -35.302
tors. eta vs tors. theta energy: 10.286
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: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1959.068673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.068673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.068673 (E_RNA)
where:
Base-Base interactions energy: -1346.320
where: short stacking energy: -563.710
Base-Backbone interact. energy: -3.568
local terms energy: -609.180759
where:
bonds (distance) C4'-P energy: -107.592
bonds (distance) P-C4' energy: -118.648
flat angles C4'-P-C4' energy: -132.674
flat angles P-C4'-P energy: -82.048
tors. eta vs tors. theta energy: -168.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1887.301663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.301663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.301663 (E_RNA)
where:
Base-Base interactions energy: -1309.122
where: short stacking energy: -575.846
Base-Backbone interact. energy: -3.373
local terms energy: -574.807111
where:
bonds (distance) C4'-P energy: -103.625
bonds (distance) P-C4' energy: -109.275
flat angles C4'-P-C4' energy: -119.744
flat angles P-C4'-P energy: -78.657
tors. eta vs tors. theta energy: -163.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1748.462795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.462795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.462795 (E_RNA)
where:
Base-Base interactions energy: -1181.807
where: short stacking energy: -528.407
Base-Backbone interact. energy: -0.908
local terms energy: -565.748215
where:
bonds (distance) C4'-P energy: -96.262
bonds (distance) P-C4' energy: -120.629
flat angles C4'-P-C4' energy: -108.120
flat angles P-C4'-P energy: -81.516
tors. eta vs tors. theta energy: -159.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1704.054136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.054136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.054136 (E_RNA)
where:
Base-Base interactions energy: -1171.016
where: short stacking energy: -500.870
Base-Backbone interact. energy: -0.480
local terms energy: -532.558439
where:
bonds (distance) C4'-P energy: -84.562
bonds (distance) P-C4' energy: -101.695
flat angles C4'-P-C4' energy: -123.097
flat angles P-C4'-P energy: -74.353
tors. eta vs tors. theta energy: -148.853
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: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1632.718186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.718186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.718186 (E_RNA)
where:
Base-Base interactions energy: -1113.542
where: short stacking energy: -487.746
Base-Backbone interact. energy: 1.796
local terms energy: -520.971475
where:
bonds (distance) C4'-P energy: -90.543
bonds (distance) P-C4' energy: -90.826
flat angles C4'-P-C4' energy: -119.245
flat angles P-C4'-P energy: -77.211
tors. eta vs tors. theta energy: -143.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1519.811076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.811076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.811076 (E_RNA)
where:
Base-Base interactions energy: -1018.332
where: short stacking energy: -441.990
Base-Backbone interact. energy: -1.425
local terms energy: -500.054170
where:
bonds (distance) C4'-P energy: -90.047
bonds (distance) P-C4' energy: -112.239
flat angles C4'-P-C4' energy: -105.474
flat angles P-C4'-P energy: -71.155
tors. eta vs tors. theta energy: -121.140
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: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1462.969421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.969421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.969421 (E_RNA)
where:
Base-Base interactions energy: -1000.687
where: short stacking energy: -421.900
Base-Backbone interact. energy: 2.010
local terms energy: -464.293146
where:
bonds (distance) C4'-P energy: -91.318
bonds (distance) P-C4' energy: -79.094
flat angles C4'-P-C4' energy: -100.610
flat angles P-C4'-P energy: -81.253
tors. eta vs tors. theta energy: -112.019
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: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1278.966574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.966574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.966574 (E_RNA)
where:
Base-Base interactions energy: -853.390
where: short stacking energy: -350.521
Base-Backbone interact. energy: -3.407
local terms energy: -422.169910
where:
bonds (distance) C4'-P energy: -81.821
bonds (distance) P-C4' energy: -87.102
flat angles C4'-P-C4' energy: -98.377
flat angles P-C4'-P energy: -53.590
tors. eta vs tors. theta energy: -101.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -892.947590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.947590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.947590 (E_RNA)
where:
Base-Base interactions energy: -507.749
where: short stacking energy: -249.591
Base-Backbone interact. energy: -0.906
local terms energy: -384.292620
where:
bonds (distance) C4'-P energy: -106.389
bonds (distance) P-C4' energy: -94.766
flat angles C4'-P-C4' energy: -86.615
flat angles P-C4'-P energy: -52.934
tors. eta vs tors. theta energy: -43.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -501.122906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.122906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.122906 (E_RNA)
where:
Base-Base interactions energy: -201.717
where: short stacking energy: -140.226
Base-Backbone interact. energy: -0.113
local terms energy: -299.293676
where:
bonds (distance) C4'-P energy: -91.197
bonds (distance) P-C4' energy: -95.467
flat angles C4'-P-C4' energy: -82.565
flat angles P-C4'-P energy: -42.123
tors. eta vs tors. theta energy: 12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1957.289544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.289544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.289544 (E_RNA)
where:
Base-Base interactions energy: -1367.511
where: short stacking energy: -590.864
Base-Backbone interact. energy: -4.746
local terms energy: -585.032705
where:
bonds (distance) C4'-P energy: -100.987
bonds (distance) P-C4' energy: -101.099
flat angles C4'-P-C4' energy: -125.286
flat angles P-C4'-P energy: -83.550
tors. eta vs tors. theta energy: -174.110
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: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1883.946750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.946750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.946750 (E_RNA)
where:
Base-Base interactions energy: -1302.038
where: short stacking energy: -560.818
Base-Backbone interact. energy: -1.908
local terms energy: -580.000491
where:
bonds (distance) C4'-P energy: -98.655
bonds (distance) P-C4' energy: -104.665
flat angles C4'-P-C4' energy: -124.758
flat angles P-C4'-P energy: -77.290
tors. eta vs tors. theta energy: -174.633
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: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1751.781505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.781505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.781505 (E_RNA)
where:
Base-Base interactions energy: -1216.499
where: short stacking energy: -512.684
Base-Backbone interact. energy: -4.025
local terms energy: -531.257553
where:
bonds (distance) C4'-P energy: -97.817
bonds (distance) P-C4' energy: -100.544
flat angles C4'-P-C4' energy: -115.763
flat angles P-C4'-P energy: -79.628
tors. eta vs tors. theta energy: -137.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1677.416852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.416852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.416852 (E_RNA)
where:
Base-Base interactions energy: -1150.239
where: short stacking energy: -499.634
Base-Backbone interact. energy: -0.430
local terms energy: -526.748443
where:
bonds (distance) C4'-P energy: -102.060
bonds (distance) P-C4' energy: -97.055
flat angles C4'-P-C4' energy: -105.269
flat angles P-C4'-P energy: -81.984
tors. eta vs tors. theta energy: -140.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1662.467343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.467343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.467343 (E_RNA)
where:
Base-Base interactions energy: -1158.920
where: short stacking energy: -486.691
Base-Backbone interact. energy: 0.504
local terms energy: -504.052078
where:
bonds (distance) C4'-P energy: -106.059
bonds (distance) P-C4' energy: -89.318
flat angles C4'-P-C4' energy: -104.070
flat angles P-C4'-P energy: -80.358
tors. eta vs tors. theta energy: -124.248
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: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1490.381306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.381306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.381306 (E_RNA)
where:
Base-Base interactions energy: -1025.249
where: short stacking energy: -409.320
Base-Backbone interact. energy: -3.142
local terms energy: -461.990291
where:
bonds (distance) C4'-P energy: -82.824
bonds (distance) P-C4' energy: -93.307
flat angles C4'-P-C4' energy: -108.469
flat angles P-C4'-P energy: -58.184
tors. eta vs tors. theta energy: -119.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1422.800332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.800332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.800332 (E_RNA)
where:
Base-Base interactions energy: -957.337
where: short stacking energy: -401.863
Base-Backbone interact. energy: -0.960
local terms energy: -464.503730
where:
bonds (distance) C4'-P energy: -98.034
bonds (distance) P-C4' energy: -96.254
flat angles C4'-P-C4' energy: -90.228
flat angles P-C4'-P energy: -74.339
tors. eta vs tors. theta energy: -105.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1269.162856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.162856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.162856 (E_RNA)
where:
Base-Base interactions energy: -874.914
where: short stacking energy: -362.071
Base-Backbone interact. energy: -1.145
local terms energy: -393.104525
where:
bonds (distance) C4'-P energy: -86.479
bonds (distance) P-C4' energy: -84.403
flat angles C4'-P-C4' energy: -82.725
flat angles P-C4'-P energy: -62.033
tors. eta vs tors. theta energy: -77.465
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: 460
Temperature: 1.300000
Total energy: -828.014761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.014761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.014761 (E_RNA)
where:
Base-Base interactions energy: -486.830
where: short stacking energy: -232.328
Base-Backbone interact. energy: -0.850
local terms energy: -340.334947
where:
bonds (distance) C4'-P energy: -76.216
bonds (distance) P-C4' energy: -82.838
flat angles C4'-P-C4' energy: -93.338
flat angles P-C4'-P energy: -56.953
tors. eta vs tors. theta energy: -30.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -487.283503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.283503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.283503 (E_RNA)
where:
Base-Base interactions energy: -239.577
where: short stacking energy: -132.539
Base-Backbone interact. energy: 3.345
local terms energy: -251.051718
where:
bonds (distance) C4'-P energy: -72.092
bonds (distance) P-C4' energy: -87.052
flat angles C4'-P-C4' energy: -70.866
flat angles P-C4'-P energy: -40.040
tors. eta vs tors. theta energy: 18.998
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: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1955.045151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.045151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.045151 (E_RNA)
where:
Base-Base interactions energy: -1347.926
where: short stacking energy: -583.449
Base-Backbone interact. energy: 1.340
local terms energy: -608.458973
where:
bonds (distance) C4'-P energy: -110.216
bonds (distance) P-C4' energy: -106.426
flat angles C4'-P-C4' energy: -130.989
flat angles P-C4'-P energy: -85.233
tors. eta vs tors. theta energy: -175.594
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: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1860.808995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.808995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.808995 (E_RNA)
where:
Base-Base interactions energy: -1256.763
where: short stacking energy: -549.163
Base-Backbone interact. energy: -2.286
local terms energy: -601.760422
where:
bonds (distance) C4'-P energy: -113.326
bonds (distance) P-C4' energy: -107.936
flat angles C4'-P-C4' energy: -114.275
flat angles P-C4'-P energy: -96.182
tors. eta vs tors. theta energy: -170.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1767.782193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.782193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.782193 (E_RNA)
where:
Base-Base interactions energy: -1204.273
where: short stacking energy: -523.279
Base-Backbone interact. energy: -2.881
local terms energy: -560.627903
where:
bonds (distance) C4'-P energy: -102.471
bonds (distance) P-C4' energy: -110.516
flat angles C4'-P-C4' energy: -119.421
flat angles P-C4'-P energy: -75.373
tors. eta vs tors. theta energy: -152.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1683.932272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.932272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.932272 (E_RNA)
where:
Base-Base interactions energy: -1139.664
where: short stacking energy: -518.812
Base-Backbone interact. energy: -3.718
local terms energy: -540.550493
where:
bonds (distance) C4'-P energy: -90.707
bonds (distance) P-C4' energy: -91.983
flat angles C4'-P-C4' energy: -118.530
flat angles P-C4'-P energy: -92.246
tors. eta vs tors. theta energy: -147.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1697.857692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.857692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.857692 (E_RNA)
where:
Base-Base interactions energy: -1178.538
where: short stacking energy: -501.547
Base-Backbone interact. energy: 0.592
local terms energy: -519.912020
where:
bonds (distance) C4'-P energy: -86.696
bonds (distance) P-C4' energy: -99.674
flat angles C4'-P-C4' energy: -107.971
flat angles P-C4'-P energy: -73.862
tors. eta vs tors. theta energy: -151.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1552.200449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.200449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.200449 (E_RNA)
where:
Base-Base interactions energy: -1050.794
where: short stacking energy: -463.039
Base-Backbone interact. energy: -1.935
local terms energy: -499.471270
where:
bonds (distance) C4'-P energy: -84.700
bonds (distance) P-C4' energy: -103.906
flat angles C4'-P-C4' energy: -94.931
flat angles P-C4'-P energy: -74.988
tors. eta vs tors. theta energy: -140.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1459.135226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.135226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.135226 (E_RNA)
where:
Base-Base interactions energy: -988.219
where: short stacking energy: -420.197
Base-Backbone interact. energy: 3.371
local terms energy: -474.287937
where:
bonds (distance) C4'-P energy: -94.437
bonds (distance) P-C4' energy: -92.332
flat angles C4'-P-C4' energy: -102.281
flat angles P-C4'-P energy: -62.789
tors. eta vs tors. theta energy: -122.448
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: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1216.870818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.870818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.870818 (E_RNA)
where:
Base-Base interactions energy: -807.640
where: short stacking energy: -358.796
Base-Backbone interact. energy: 1.648
local terms energy: -410.878821
where:
bonds (distance) C4'-P energy: -76.589
bonds (distance) P-C4' energy: -94.343
flat angles C4'-P-C4' energy: -102.030
flat angles P-C4'-P energy: -47.964
tors. eta vs tors. theta energy: -89.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -824.883230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.883230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.883230 (E_RNA)
where:
Base-Base interactions energy: -476.531
where: short stacking energy: -242.989
Base-Backbone interact. energy: 0.094
local terms energy: -348.446536
where:
bonds (distance) C4'-P energy: -99.781
bonds (distance) P-C4' energy: -84.057
flat angles C4'-P-C4' energy: -96.296
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: -39.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -539.460215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.460215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.460215 (E_RNA)
where:
Base-Base interactions energy: -259.589
where: short stacking energy: -141.177
Base-Backbone interact. energy: -0.686
local terms energy: -279.184690
where:
bonds (distance) C4'-P energy: -75.351
bonds (distance) P-C4' energy: -87.951
flat angles C4'-P-C4' energy: -78.271
flat angles P-C4'-P energy: -60.198
tors. eta vs tors. theta energy: 22.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1930.132830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.132830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.132830 (E_RNA)
where:
Base-Base interactions energy: -1325.844
where: short stacking energy: -570.168
Base-Backbone interact. energy: -2.537
local terms energy: -601.752384
where:
bonds (distance) C4'-P energy: -104.570
bonds (distance) P-C4' energy: -120.779
flat angles C4'-P-C4' energy: -132.950
flat angles P-C4'-P energy: -70.661
tors. eta vs tors. theta energy: -172.792
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: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1863.229215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.229215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.229215 (E_RNA)
where:
Base-Base interactions energy: -1294.566
where: short stacking energy: -555.547
Base-Backbone interact. energy: -3.103
local terms energy: -565.559923
where:
bonds (distance) C4'-P energy: -105.448
bonds (distance) P-C4' energy: -101.818
flat angles C4'-P-C4' energy: -118.806
flat angles P-C4'-P energy: -85.003
tors. eta vs tors. theta energy: -154.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1759.120875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.120875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.120875 (E_RNA)
where:
Base-Base interactions energy: -1214.250
where: short stacking energy: -491.346
Base-Backbone interact. energy: -4.397
local terms energy: -540.474386
where:
bonds (distance) C4'-P energy: -95.195
bonds (distance) P-C4' energy: -103.466
flat angles C4'-P-C4' energy: -122.817
flat angles P-C4'-P energy: -79.497
tors. eta vs tors. theta energy: -139.501
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: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1669.138976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.138976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.138976 (E_RNA)
where:
Base-Base interactions energy: -1113.169
where: short stacking energy: -482.121
Base-Backbone interact. energy: -2.888
local terms energy: -553.081344
where:
bonds (distance) C4'-P energy: -106.210
bonds (distance) P-C4' energy: -101.132
flat angles C4'-P-C4' energy: -117.331
flat angles P-C4'-P energy: -86.477
tors. eta vs tors. theta energy: -141.932
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: 462
Temperature: 1.100000
Total energy: -1730.242681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.242681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.242681 (E_RNA)
where:
Base-Base interactions energy: -1181.079
where: short stacking energy: -499.316
Base-Backbone interact. energy: -3.074
local terms energy: -546.089365
where:
bonds (distance) C4'-P energy: -106.564
bonds (distance) P-C4' energy: -93.999
flat angles C4'-P-C4' energy: -113.987
flat angles P-C4'-P energy: -81.251
tors. eta vs tors. theta energy: -150.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1545.942287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.942287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.942287 (E_RNA)
where:
Base-Base interactions energy: -1069.266
where: short stacking energy: -475.871
Base-Backbone interact. energy: -1.290
local terms energy: -475.386374
where:
bonds (distance) C4'-P energy: -74.448
bonds (distance) P-C4' energy: -82.650
flat angles C4'-P-C4' energy: -112.134
flat angles P-C4'-P energy: -68.311
tors. eta vs tors. theta energy: -137.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1473.628420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.628420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.628420 (E_RNA)
where:
Base-Base interactions energy: -1006.559
where: short stacking energy: -420.822
Base-Backbone interact. energy: -1.285
local terms energy: -465.784263
where:
bonds (distance) C4'-P energy: -95.931
bonds (distance) P-C4' energy: -80.112
flat angles C4'-P-C4' energy: -104.088
flat angles P-C4'-P energy: -71.550
tors. eta vs tors. theta energy: -114.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1167.198495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.198495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.198495 (E_RNA)
where:
Base-Base interactions energy: -787.928
where: short stacking energy: -331.119
Base-Backbone interact. energy: -2.523
local terms energy: -376.748098
where:
bonds (distance) C4'-P energy: -75.488
bonds (distance) P-C4' energy: -96.121
flat angles C4'-P-C4' energy: -75.126
flat angles P-C4'-P energy: -70.280
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: 9, replica: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -822.197459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.197459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.197459 (E_RNA)
where:
Base-Base interactions energy: -467.961
where: short stacking energy: -221.979
Base-Backbone interact. energy: -0.131
local terms energy: -354.106026
where:
bonds (distance) C4'-P energy: -89.594
bonds (distance) P-C4' energy: -97.668
flat angles C4'-P-C4' energy: -86.713
flat angles P-C4'-P energy: -54.273
tors. eta vs tors. theta energy: -25.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -502.952618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.952618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.952618 (E_RNA)
where:
Base-Base interactions energy: -212.433
where: short stacking energy: -158.613
Base-Backbone interact. energy: -2.543
local terms energy: -287.976277
where:
bonds (distance) C4'-P energy: -76.471
bonds (distance) P-C4' energy: -88.001
flat angles C4'-P-C4' energy: -84.088
flat angles P-C4'-P energy: -42.219
tors. eta vs tors. theta energy: 2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1933.027296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.027296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.027296 (E_RNA)
where:
Base-Base interactions energy: -1342.017
where: short stacking energy: -570.850
Base-Backbone interact. energy: 0.943
local terms energy: -591.952755
where:
bonds (distance) C4'-P energy: -106.050
bonds (distance) P-C4' energy: -102.406
flat angles C4'-P-C4' energy: -125.011
flat angles P-C4'-P energy: -85.305
tors. eta vs tors. theta energy: -173.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1861.811420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.811420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.811420 (E_RNA)
where:
Base-Base interactions energy: -1280.701
where: short stacking energy: -553.498
Base-Backbone interact. energy: -0.619
local terms energy: -580.491073
where:
bonds (distance) C4'-P energy: -104.179
bonds (distance) P-C4' energy: -101.663
flat angles C4'-P-C4' energy: -128.088
flat angles P-C4'-P energy: -78.855
tors. eta vs tors. theta energy: -167.706
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: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1735.975594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.975594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.975594 (E_RNA)
where:
Base-Base interactions energy: -1186.821
where: short stacking energy: -516.404
Base-Backbone interact. energy: -1.174
local terms energy: -547.981070
where:
bonds (distance) C4'-P energy: -103.725
bonds (distance) P-C4' energy: -98.259
flat angles C4'-P-C4' energy: -116.591
flat angles P-C4'-P energy: -82.523
tors. eta vs tors. theta energy: -146.882
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: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1687.365112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.365112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.365112 (E_RNA)
where:
Base-Base interactions energy: -1137.834
where: short stacking energy: -468.006
Base-Backbone interact. energy: -3.653
local terms energy: -545.878023
where:
bonds (distance) C4'-P energy: -116.613
bonds (distance) P-C4' energy: -103.321
flat angles C4'-P-C4' energy: -115.138
flat angles P-C4'-P energy: -69.282
tors. eta vs tors. theta energy: -141.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1681.216856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.216856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.216856 (E_RNA)
where:
Base-Base interactions energy: -1143.031
where: short stacking energy: -498.505
Base-Backbone interact. energy: 1.721
local terms energy: -539.906447
where:
bonds (distance) C4'-P energy: -91.497
bonds (distance) P-C4' energy: -115.321
flat angles C4'-P-C4' energy: -113.852
flat angles P-C4'-P energy: -79.491
tors. eta vs tors. theta energy: -139.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1525.165217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.165217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.165217 (E_RNA)
where:
Base-Base interactions energy: -1014.364
where: short stacking energy: -438.587
Base-Backbone interact. energy: -3.701
local terms energy: -507.100334
where:
bonds (distance) C4'-P energy: -100.832
bonds (distance) P-C4' energy: -103.982
flat angles C4'-P-C4' energy: -106.016
flat angles P-C4'-P energy: -73.906
tors. eta vs tors. theta energy: -122.364
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: 463
Temperature: 1.200000
Total energy: -1454.085720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.085720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.085720 (E_RNA)
where:
Base-Base interactions energy: -990.033
where: short stacking energy: -414.522
Base-Backbone interact. energy: 1.183
local terms energy: -465.235743
where:
bonds (distance) C4'-P energy: -96.500
bonds (distance) P-C4' energy: -108.954
flat angles C4'-P-C4' energy: -103.862
flat angles P-C4'-P energy: -61.283
tors. eta vs tors. theta energy: -94.636
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: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1130.666241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.666241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.666241 (E_RNA)
where:
Base-Base interactions energy: -730.313
where: short stacking energy: -315.583
Base-Backbone interact. energy: -1.698
local terms energy: -398.655261
where:
bonds (distance) C4'-P energy: -81.030
bonds (distance) P-C4' energy: -93.377
flat angles C4'-P-C4' energy: -96.122
flat angles P-C4'-P energy: -61.717
tors. eta vs tors. theta energy: -66.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -796.575990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.575990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.575990 (E_RNA)
where:
Base-Base interactions energy: -433.421
where: short stacking energy: -208.152
Base-Backbone interact. energy: 0.920
local terms energy: -364.074877
where:
bonds (distance) C4'-P energy: -97.492
bonds (distance) P-C4' energy: -90.958
flat angles C4'-P-C4' energy: -89.030
flat angles P-C4'-P energy: -60.738
tors. eta vs tors. theta energy: -25.857
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: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -489.703090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.703090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.703090 (E_RNA)
where:
Base-Base interactions energy: -210.115
where: short stacking energy: -155.660
Base-Backbone interact. energy: 0.611
local terms energy: -280.199059
where:
bonds (distance) C4'-P energy: -70.974
bonds (distance) P-C4' energy: -95.130
flat angles C4'-P-C4' energy: -66.807
flat angles P-C4'-P energy: -56.615
tors. eta vs tors. theta energy: 9.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1946.850044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.850044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.850044 (E_RNA)
where:
Base-Base interactions energy: -1333.600
where: short stacking energy: -578.403
Base-Backbone interact. energy: -2.993
local terms energy: -610.257466
where:
bonds (distance) C4'-P energy: -111.649
bonds (distance) P-C4' energy: -109.648
flat angles C4'-P-C4' energy: -126.901
flat angles P-C4'-P energy: -91.521
tors. eta vs tors. theta energy: -170.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1884.843892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.843892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.843892 (E_RNA)
where:
Base-Base interactions energy: -1283.834
where: short stacking energy: -568.936
Base-Backbone interact. energy: -3.646
local terms energy: -597.364726
where:
bonds (distance) C4'-P energy: -104.154
bonds (distance) P-C4' energy: -107.299
flat angles C4'-P-C4' energy: -124.668
flat angles P-C4'-P energy: -87.371
tors. eta vs tors. theta energy: -173.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1735.515573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.515573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.515573 (E_RNA)
where:
Base-Base interactions energy: -1161.903
where: short stacking energy: -493.777
Base-Backbone interact. energy: -3.971
local terms energy: -569.641477
where:
bonds (distance) C4'-P energy: -94.509
bonds (distance) P-C4' energy: -113.191
flat angles C4'-P-C4' energy: -123.968
flat angles P-C4'-P energy: -87.384
tors. eta vs tors. theta energy: -150.589
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: 464
Temperature: 1.050000
Total energy: -1715.787779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.787779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.787779 (E_RNA)
where:
Base-Base interactions energy: -1182.435
where: short stacking energy: -507.161
Base-Backbone interact. energy: 0.521
local terms energy: -533.872823
where:
bonds (distance) C4'-P energy: -97.560
bonds (distance) P-C4' energy: -89.392
flat angles C4'-P-C4' energy: -124.092
flat angles P-C4'-P energy: -76.614
tors. eta vs tors. theta energy: -146.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1639.349733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.349733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.349733 (E_RNA)
where:
Base-Base interactions energy: -1140.028
where: short stacking energy: -492.943
Base-Backbone interact. energy: -0.976
local terms energy: -498.345948
where:
bonds (distance) C4'-P energy: -89.582
bonds (distance) P-C4' energy: -95.343
flat angles C4'-P-C4' energy: -101.138
flat angles P-C4'-P energy: -74.579
tors. eta vs tors. theta energy: -137.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1528.503550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.503550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.503550 (E_RNA)
where:
Base-Base interactions energy: -1050.519
where: short stacking energy: -449.914
Base-Backbone interact. energy: 1.684
local terms energy: -479.667873
where:
bonds (distance) C4'-P energy: -85.314
bonds (distance) P-C4' energy: -100.835
flat angles C4'-P-C4' energy: -110.688
flat angles P-C4'-P energy: -62.706
tors. eta vs tors. theta energy: -120.126
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: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1446.608019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.608019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.608019 (E_RNA)
where:
Base-Base interactions energy: -989.490
where: short stacking energy: -422.253
Base-Backbone interact. energy: -0.867
local terms energy: -456.251766
where:
bonds (distance) C4'-P energy: -78.461
bonds (distance) P-C4' energy: -99.149
flat angles C4'-P-C4' energy: -104.485
flat angles P-C4'-P energy: -66.266
tors. eta vs tors. theta energy: -107.892
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: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1143.356436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.356436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.356436 (E_RNA)
where:
Base-Base interactions energy: -730.293
where: short stacking energy: -323.530
Base-Backbone interact. energy: 1.534
local terms energy: -414.596781
where:
bonds (distance) C4'-P energy: -110.516
bonds (distance) P-C4' energy: -85.511
flat angles C4'-P-C4' energy: -90.528
flat angles P-C4'-P energy: -65.689
tors. eta vs tors. theta energy: -62.352
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: 464
Temperature: 1.300000
Total energy: -823.799303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.799303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.799303 (E_RNA)
where:
Base-Base interactions energy: -487.609
where: short stacking energy: -237.909
Base-Backbone interact. energy: -0.911
local terms energy: -335.279342
where:
bonds (distance) C4'-P energy: -87.894
bonds (distance) P-C4' energy: -87.202
flat angles C4'-P-C4' energy: -82.411
flat angles P-C4'-P energy: -63.436
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -478.329723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.329723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.329723 (E_RNA)
where:
Base-Base interactions energy: -226.131
where: short stacking energy: -137.606
Base-Backbone interact. energy: 12.034
local terms energy: -264.232830
where:
bonds (distance) C4'-P energy: -82.874
bonds (distance) P-C4' energy: -88.530
flat angles C4'-P-C4' energy: -79.148
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: 9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1903.209812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.209812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.209812 (E_RNA)
where:
Base-Base interactions energy: -1330.745
where: short stacking energy: -549.278
Base-Backbone interact. energy: -2.560
local terms energy: -569.904353
where:
bonds (distance) C4'-P energy: -103.173
bonds (distance) P-C4' energy: -110.393
flat angles C4'-P-C4' energy: -117.996
flat angles P-C4'-P energy: -82.258
tors. eta vs tors. theta energy: -156.085
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: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1882.504894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.504894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.504894 (E_RNA)
where:
Base-Base interactions energy: -1285.398
where: short stacking energy: -558.335
Base-Backbone interact. energy: -0.627
local terms energy: -596.479722
where:
bonds (distance) C4'-P energy: -107.995
bonds (distance) P-C4' energy: -104.472
flat angles C4'-P-C4' energy: -119.148
flat angles P-C4'-P energy: -90.897
tors. eta vs tors. theta energy: -173.968
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: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1780.861943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.861943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.861943 (E_RNA)
where:
Base-Base interactions energy: -1212.156
where: short stacking energy: -515.182
Base-Backbone interact. energy: -1.813
local terms energy: -566.893636
where:
bonds (distance) C4'-P energy: -96.892
bonds (distance) P-C4' energy: -114.651
flat angles C4'-P-C4' energy: -114.410
flat angles P-C4'-P energy: -91.375
tors. eta vs tors. theta energy: -149.566
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: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1685.607636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.607636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.607636 (E_RNA)
where:
Base-Base interactions energy: -1162.209
where: short stacking energy: -476.012
Base-Backbone interact. energy: -3.770
local terms energy: -519.628372
where:
bonds (distance) C4'-P energy: -95.357
bonds (distance) P-C4' energy: -105.804
flat angles C4'-P-C4' energy: -110.194
flat angles P-C4'-P energy: -77.243
tors. eta vs tors. theta energy: -131.030
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: 465
Temperature: 1.100000
Total energy: -1687.856519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.856519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.856519 (E_RNA)
where:
Base-Base interactions energy: -1136.627
where: short stacking energy: -495.288
Base-Backbone interact. energy: 0.828
local terms energy: -552.057353
where:
bonds (distance) C4'-P energy: -102.484
bonds (distance) P-C4' energy: -97.472
flat angles C4'-P-C4' energy: -114.898
flat angles P-C4'-P energy: -81.966
tors. eta vs tors. theta energy: -155.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1505.499774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.499774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.499774 (E_RNA)
where:
Base-Base interactions energy: -1028.367
where: short stacking energy: -442.489
Base-Backbone interact. energy: -1.669
local terms energy: -475.463437
where:
bonds (distance) C4'-P energy: -92.420
bonds (distance) P-C4' energy: -97.354
flat angles C4'-P-C4' energy: -101.821
flat angles P-C4'-P energy: -60.084
tors. eta vs tors. theta energy: -123.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1446.720002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.720002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.720002 (E_RNA)
where:
Base-Base interactions energy: -983.688
where: short stacking energy: -420.973
Base-Backbone interact. energy: -2.223
local terms energy: -460.808441
where:
bonds (distance) C4'-P energy: -96.893
bonds (distance) P-C4' energy: -79.278
flat angles C4'-P-C4' energy: -102.019
flat angles P-C4'-P energy: -64.445
tors. eta vs tors. theta energy: -118.174
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: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1136.285551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.285551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.285551 (E_RNA)
where:
Base-Base interactions energy: -714.322
where: short stacking energy: -325.827
Base-Backbone interact. energy: 0.505
local terms energy: -422.468149
where:
bonds (distance) C4'-P energy: -87.491
bonds (distance) P-C4' energy: -98.383
flat angles C4'-P-C4' energy: -93.034
flat angles P-C4'-P energy: -65.170
tors. eta vs tors. theta energy: -78.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -790.690565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.690565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.690565 (E_RNA)
where:
Base-Base interactions energy: -473.743
where: short stacking energy: -224.065
Base-Backbone interact. energy: -2.436
local terms energy: -314.511456
where:
bonds (distance) C4'-P energy: -68.750
bonds (distance) P-C4' energy: -93.981
flat angles C4'-P-C4' energy: -84.160
flat angles P-C4'-P energy: -37.514
tors. eta vs tors. theta energy: -30.107
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: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -531.697609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.697609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.697609 (E_RNA)
where:
Base-Base interactions energy: -245.685
where: short stacking energy: -147.045
Base-Backbone interact. energy: 2.376
local terms energy: -288.389351
where:
bonds (distance) C4'-P energy: -82.849
bonds (distance) P-C4' energy: -104.975
flat angles C4'-P-C4' energy: -77.378
flat angles P-C4'-P energy: -40.880
tors. eta vs tors. theta energy: 17.693
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: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1934.393257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.393257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.393257 (E_RNA)
where:
Base-Base interactions energy: -1343.249
where: short stacking energy: -566.423
Base-Backbone interact. energy: -0.507
local terms energy: -590.636478
where:
bonds (distance) C4'-P energy: -110.353
bonds (distance) P-C4' energy: -106.990
flat angles C4'-P-C4' energy: -123.367
flat angles P-C4'-P energy: -86.847
tors. eta vs tors. theta energy: -163.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1890.696168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.696168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.696168 (E_RNA)
where:
Base-Base interactions energy: -1301.725
where: short stacking energy: -569.188
Base-Backbone interact. energy: -3.043
local terms energy: -585.927650
where:
bonds (distance) C4'-P energy: -111.359
bonds (distance) P-C4' energy: -104.825
flat angles C4'-P-C4' energy: -118.442
flat angles P-C4'-P energy: -75.520
tors. eta vs tors. theta energy: -175.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1745.716132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.716132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.716132 (E_RNA)
where:
Base-Base interactions energy: -1218.516
where: short stacking energy: -524.453
Base-Backbone interact. energy: -1.883
local terms energy: -525.317298
where:
bonds (distance) C4'-P energy: -82.747
bonds (distance) P-C4' energy: -105.008
flat angles C4'-P-C4' energy: -110.879
flat angles P-C4'-P energy: -71.089
tors. eta vs tors. theta energy: -155.594
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: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1641.635066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.635066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.635066 (E_RNA)
where:
Base-Base interactions energy: -1138.498
where: short stacking energy: -501.670
Base-Backbone interact. energy: -1.983
local terms energy: -501.154895
where:
bonds (distance) C4'-P energy: -97.470
bonds (distance) P-C4' energy: -97.794
flat angles C4'-P-C4' energy: -108.562
flat angles P-C4'-P energy: -62.277
tors. eta vs tors. theta energy: -135.052
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: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1697.430443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.430443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.430443 (E_RNA)
where:
Base-Base interactions energy: -1177.231
where: short stacking energy: -490.135
Base-Backbone interact. energy: -1.297
local terms energy: -518.902214
where:
bonds (distance) C4'-P energy: -92.378
bonds (distance) P-C4' energy: -83.939
flat angles C4'-P-C4' energy: -116.191
flat angles P-C4'-P energy: -71.933
tors. eta vs tors. theta energy: -154.463
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: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1488.212788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.212788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.212788 (E_RNA)
where:
Base-Base interactions energy: -1001.778
where: short stacking energy: -439.623
Base-Backbone interact. energy: -2.757
local terms energy: -483.678138
where:
bonds (distance) C4'-P energy: -85.910
bonds (distance) P-C4' energy: -96.014
flat angles C4'-P-C4' energy: -116.215
flat angles P-C4'-P energy: -75.066
tors. eta vs tors. theta energy: -110.474
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: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1494.255372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.255372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.255372 (E_RNA)
where:
Base-Base interactions energy: -1034.308
where: short stacking energy: -434.750
Base-Backbone interact. energy: -1.255
local terms energy: -458.691812
where:
bonds (distance) C4'-P energy: -101.260
bonds (distance) P-C4' energy: -95.627
flat angles C4'-P-C4' energy: -91.719
flat angles P-C4'-P energy: -53.338
tors. eta vs tors. theta energy: -116.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1116.041334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.041334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.041334 (E_RNA)
where:
Base-Base interactions energy: -723.436
where: short stacking energy: -308.228
Base-Backbone interact. energy: -0.497
local terms energy: -392.108965
where:
bonds (distance) C4'-P energy: -76.208
bonds (distance) P-C4' energy: -96.263
flat angles C4'-P-C4' energy: -86.130
flat angles P-C4'-P energy: -62.092
tors. eta vs tors. theta energy: -71.416
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: 466
Temperature: 1.300000
Total energy: -828.737954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.737954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.737954 (E_RNA)
where:
Base-Base interactions energy: -494.421
where: short stacking energy: -237.601
Base-Backbone interact. energy: 1.965
local terms energy: -336.281463
where:
bonds (distance) C4'-P energy: -88.669
bonds (distance) P-C4' energy: -92.565
flat angles C4'-P-C4' energy: -96.623
flat angles P-C4'-P energy: -33.939
tors. eta vs tors. theta energy: -24.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -520.982817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.982817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.982817 (E_RNA)
where:
Base-Base interactions energy: -248.968
where: short stacking energy: -149.660
Base-Backbone interact. energy: -1.831
local terms energy: -270.184324
where:
bonds (distance) C4'-P energy: -74.965
bonds (distance) P-C4' energy: -99.098
flat angles C4'-P-C4' energy: -73.190
flat angles P-C4'-P energy: -36.505
tors. eta vs tors. theta energy: 13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1928.141779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.141779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.141779 (E_RNA)
where:
Base-Base interactions energy: -1331.651
where: short stacking energy: -544.124
Base-Backbone interact. energy: -3.056
local terms energy: -593.434765
where:
bonds (distance) C4'-P energy: -117.903
bonds (distance) P-C4' energy: -105.451
flat angles C4'-P-C4' energy: -123.260
flat angles P-C4'-P energy: -87.075
tors. eta vs tors. theta energy: -159.746
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: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1894.981830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.981830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.981830 (E_RNA)
where:
Base-Base interactions energy: -1312.026
where: short stacking energy: -574.424
Base-Backbone interact. energy: -2.421
local terms energy: -580.534828
where:
bonds (distance) C4'-P energy: -104.769
bonds (distance) P-C4' energy: -100.294
flat angles C4'-P-C4' energy: -124.538
flat angles P-C4'-P energy: -72.828
tors. eta vs tors. theta energy: -178.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1781.190064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.190064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.190064 (E_RNA)
where:
Base-Base interactions energy: -1214.344
where: short stacking energy: -505.721
Base-Backbone interact. energy: -5.425
local terms energy: -561.421085
where:
bonds (distance) C4'-P energy: -84.887
bonds (distance) P-C4' energy: -111.455
flat angles C4'-P-C4' energy: -113.236
flat angles P-C4'-P energy: -95.275
tors. eta vs tors. theta energy: -156.569
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: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1719.642408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.642408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.642408 (E_RNA)
where:
Base-Base interactions energy: -1170.508
where: short stacking energy: -521.136
Base-Backbone interact. energy: -0.378
local terms energy: -548.755810
where:
bonds (distance) C4'-P energy: -104.014
bonds (distance) P-C4' energy: -107.631
flat angles C4'-P-C4' energy: -109.433
flat angles P-C4'-P energy: -75.105
tors. eta vs tors. theta energy: -152.573
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: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1610.293600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.293600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.293600 (E_RNA)
where:
Base-Base interactions energy: -1108.746
where: short stacking energy: -479.125
Base-Backbone interact. energy: 0.187
local terms energy: -501.734186
where:
bonds (distance) C4'-P energy: -87.247
bonds (distance) P-C4' energy: -90.498
flat angles C4'-P-C4' energy: -115.532
flat angles P-C4'-P energy: -81.206
tors. eta vs tors. theta energy: -127.251
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: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1549.452691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.452691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.452691 (E_RNA)
where:
Base-Base interactions energy: -1063.002
where: short stacking energy: -462.148
Base-Backbone interact. energy: -2.726
local terms energy: -483.725069
where:
bonds (distance) C4'-P energy: -81.006
bonds (distance) P-C4' energy: -89.743
flat angles C4'-P-C4' energy: -112.977
flat angles P-C4'-P energy: -76.185
tors. eta vs tors. theta energy: -123.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1463.600566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.600566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.600566 (E_RNA)
where:
Base-Base interactions energy: -989.976
where: short stacking energy: -417.511
Base-Backbone interact. energy: -1.356
local terms energy: -472.267736
where:
bonds (distance) C4'-P energy: -92.465
bonds (distance) P-C4' energy: -91.952
flat angles C4'-P-C4' energy: -102.114
flat angles P-C4'-P energy: -75.555
tors. eta vs tors. theta energy: -110.181
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: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1119.785290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.785290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.785290 (E_RNA)
where:
Base-Base interactions energy: -730.016
where: short stacking energy: -315.009
Base-Backbone interact. energy: 0.695
local terms energy: -390.464383
where:
bonds (distance) C4'-P energy: -95.396
bonds (distance) P-C4' energy: -88.073
flat angles C4'-P-C4' energy: -94.657
flat angles P-C4'-P energy: -50.037
tors. eta vs tors. theta energy: -62.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -835.038330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.038330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.038330 (E_RNA)
where:
Base-Base interactions energy: -484.617
where: short stacking energy: -256.122
Base-Backbone interact. energy: -1.846
local terms energy: -348.575701
where:
bonds (distance) C4'-P energy: -86.901
bonds (distance) P-C4' energy: -94.497
flat angles C4'-P-C4' energy: -76.460
flat angles P-C4'-P energy: -52.882
tors. eta vs tors. theta energy: -37.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -486.421109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.421109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.421109 (E_RNA)
where:
Base-Base interactions energy: -204.778
where: short stacking energy: -136.751
Base-Backbone interact. energy: -1.968
local terms energy: -279.674373
where:
bonds (distance) C4'-P energy: -88.232
bonds (distance) P-C4' energy: -102.733
flat angles C4'-P-C4' energy: -72.540
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: 10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1938.514300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.514300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.514300 (E_RNA)
where:
Base-Base interactions energy: -1343.031
where: short stacking energy: -570.274
Base-Backbone interact. energy: -4.133
local terms energy: -591.349969
where:
bonds (distance) C4'-P energy: -101.450
bonds (distance) P-C4' energy: -106.050
flat angles C4'-P-C4' energy: -126.075
flat angles P-C4'-P energy: -89.098
tors. eta vs tors. theta energy: -168.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1864.051724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.051724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.051724 (E_RNA)
where:
Base-Base interactions energy: -1285.331
where: short stacking energy: -545.734
Base-Backbone interact. energy: -2.540
local terms energy: -576.180907
where:
bonds (distance) C4'-P energy: -109.241
bonds (distance) P-C4' energy: -97.969
flat angles C4'-P-C4' energy: -113.113
flat angles P-C4'-P energy: -85.921
tors. eta vs tors. theta energy: -169.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1792.657595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.657595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.657595 (E_RNA)
where:
Base-Base interactions energy: -1229.584
where: short stacking energy: -512.913
Base-Backbone interact. energy: -1.291
local terms energy: -561.782913
where:
bonds (distance) C4'-P energy: -111.666
bonds (distance) P-C4' energy: -106.833
flat angles C4'-P-C4' energy: -114.700
flat angles P-C4'-P energy: -80.112
tors. eta vs tors. theta energy: -148.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1739.656593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.656593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.656593 (E_RNA)
where:
Base-Base interactions energy: -1209.386
where: short stacking energy: -526.707
Base-Backbone interact. energy: -3.660
local terms energy: -526.610576
where:
bonds (distance) C4'-P energy: -80.301
bonds (distance) P-C4' energy: -108.453
flat angles C4'-P-C4' energy: -115.225
flat angles P-C4'-P energy: -65.844
tors. eta vs tors. theta energy: -156.787
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: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1629.052454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.052454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.052454 (E_RNA)
where:
Base-Base interactions energy: -1121.862
where: short stacking energy: -483.947
Base-Backbone interact. energy: -1.580
local terms energy: -505.609605
where:
bonds (distance) C4'-P energy: -85.503
bonds (distance) P-C4' energy: -107.457
flat angles C4'-P-C4' energy: -112.505
flat angles P-C4'-P energy: -68.157
tors. eta vs tors. theta energy: -131.989
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: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1550.750599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.750599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.750599 (E_RNA)
where:
Base-Base interactions energy: -1075.738
where: short stacking energy: -462.496
Base-Backbone interact. energy: -2.471
local terms energy: -472.541568
where:
bonds (distance) C4'-P energy: -88.991
bonds (distance) P-C4' energy: -92.886
flat angles C4'-P-C4' energy: -101.375
flat angles P-C4'-P energy: -70.343
tors. eta vs tors. theta energy: -118.947
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: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1428.906897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.906897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.906897 (E_RNA)
where:
Base-Base interactions energy: -996.966
where: short stacking energy: -397.868
Base-Backbone interact. energy: -1.746
local terms energy: -430.194533
where:
bonds (distance) C4'-P energy: -87.154
bonds (distance) P-C4' energy: -87.188
flat angles C4'-P-C4' energy: -103.810
flat angles P-C4'-P energy: -54.509
tors. eta vs tors. theta energy: -97.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1122.796068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.796068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.796068 (E_RNA)
where:
Base-Base interactions energy: -718.928
where: short stacking energy: -310.655
Base-Backbone interact. energy: -3.005
local terms energy: -400.862290
where:
bonds (distance) C4'-P energy: -95.179
bonds (distance) P-C4' energy: -86.741
flat angles C4'-P-C4' energy: -91.451
flat angles P-C4'-P energy: -53.889
tors. eta vs tors. theta energy: -73.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -802.709011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.709011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.709011 (E_RNA)
where:
Base-Base interactions energy: -477.789
where: short stacking energy: -220.500
Base-Backbone interact. energy: -0.519
local terms energy: -324.400562
where:
bonds (distance) C4'-P energy: -86.441
bonds (distance) P-C4' energy: -76.311
flat angles C4'-P-C4' energy: -86.897
flat angles P-C4'-P energy: -56.667
tors. eta vs tors. theta energy: -18.084
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: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -516.936367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.936367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.936367 (E_RNA)
where:
Base-Base interactions energy: -228.745
where: short stacking energy: -145.989
Base-Backbone interact. energy: 3.849
local terms energy: -292.040007
where:
bonds (distance) C4'-P energy: -99.047
bonds (distance) P-C4' energy: -86.633
flat angles C4'-P-C4' energy: -73.960
flat angles P-C4'-P energy: -52.624
tors. eta vs tors. theta energy: 20.225
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: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1924.398837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.398837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.398837 (E_RNA)
where:
Base-Base interactions energy: -1327.271
where: short stacking energy: -568.602
Base-Backbone interact. energy: -1.442
local terms energy: -595.685894
where:
bonds (distance) C4'-P energy: -106.739
bonds (distance) P-C4' energy: -105.541
flat angles C4'-P-C4' energy: -137.278
flat angles P-C4'-P energy: -81.830
tors. eta vs tors. theta energy: -164.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1877.228009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.228009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.228009 (E_RNA)
where:
Base-Base interactions energy: -1290.781
where: short stacking energy: -566.891
Base-Backbone interact. energy: -1.721
local terms energy: -584.725562
where:
bonds (distance) C4'-P energy: -108.380
bonds (distance) P-C4' energy: -104.445
flat angles C4'-P-C4' energy: -118.864
flat angles P-C4'-P energy: -75.995
tors. eta vs tors. theta energy: -177.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1787.620609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.620609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.620609 (E_RNA)
where:
Base-Base interactions energy: -1241.544
where: short stacking energy: -524.772
Base-Backbone interact. energy: -1.403
local terms energy: -544.674072
where:
bonds (distance) C4'-P energy: -102.402
bonds (distance) P-C4' energy: -112.722
flat angles C4'-P-C4' energy: -107.519
flat angles P-C4'-P energy: -80.395
tors. eta vs tors. theta energy: -141.637
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: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1719.608722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.608722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.608722 (E_RNA)
where:
Base-Base interactions energy: -1179.744
where: short stacking energy: -499.100
Base-Backbone interact. energy: -0.868
local terms energy: -538.995877
where:
bonds (distance) C4'-P energy: -103.187
bonds (distance) P-C4' energy: -97.303
flat angles C4'-P-C4' energy: -119.073
flat angles P-C4'-P energy: -71.181
tors. eta vs tors. theta energy: -148.252
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: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1621.059865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.059865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.059865 (E_RNA)
where:
Base-Base interactions energy: -1125.138
where: short stacking energy: -461.002
Base-Backbone interact. energy: -1.840
local terms energy: -494.081947
where:
bonds (distance) C4'-P energy: -100.269
bonds (distance) P-C4' energy: -92.357
flat angles C4'-P-C4' energy: -99.876
flat angles P-C4'-P energy: -78.198
tors. eta vs tors. theta energy: -123.383
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: 6, replica: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1566.561291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.561291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.561291 (E_RNA)
where:
Base-Base interactions energy: -1056.371
where: short stacking energy: -454.556
Base-Backbone interact. energy: 0.135
local terms energy: -510.325828
where:
bonds (distance) C4'-P energy: -104.785
bonds (distance) P-C4' energy: -104.090
flat angles C4'-P-C4' energy: -113.586
flat angles P-C4'-P energy: -62.561
tors. eta vs tors. theta energy: -125.304
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: 469
Temperature: 1.200000
Total energy: -1382.080793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.080793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.080793 (E_RNA)
where:
Base-Base interactions energy: -923.210
where: short stacking energy: -367.533
Base-Backbone interact. energy: 1.052
local terms energy: -459.922579
where:
bonds (distance) C4'-P energy: -91.335
bonds (distance) P-C4' energy: -94.429
flat angles C4'-P-C4' energy: -111.914
flat angles P-C4'-P energy: -68.963
tors. eta vs tors. theta energy: -93.281
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: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1122.498680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.498680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.498680 (E_RNA)
where:
Base-Base interactions energy: -714.846
where: short stacking energy: -307.911
Base-Backbone interact. energy: 0.466
local terms energy: -408.118774
where:
bonds (distance) C4'-P energy: -88.336
bonds (distance) P-C4' energy: -90.223
flat angles C4'-P-C4' energy: -103.450
flat angles P-C4'-P energy: -66.034
tors. eta vs tors. theta energy: -60.075
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: 469
Temperature: 1.300000
Total energy: -823.717770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.717770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.717770 (E_RNA)
where:
Base-Base interactions energy: -448.383
where: short stacking energy: -221.508
Base-Backbone interact. energy: 3.870
local terms energy: -379.205155
where:
bonds (distance) C4'-P energy: -104.333
bonds (distance) P-C4' energy: -86.705
flat angles C4'-P-C4' energy: -103.501
flat angles P-C4'-P energy: -50.821
tors. eta vs tors. theta energy: -33.845
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: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -517.627809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.627809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.627809 (E_RNA)
where:
Base-Base interactions energy: -248.240
where: short stacking energy: -142.742
Base-Backbone interact. energy: 3.739
local terms energy: -273.126789
where:
bonds (distance) C4'-P energy: -106.607
bonds (distance) P-C4' energy: -79.251
flat angles C4'-P-C4' energy: -57.154
flat angles P-C4'-P energy: -36.261
tors. eta vs tors. theta energy: 6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1924.222510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.222510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.222510 (E_RNA)
where:
Base-Base interactions energy: -1316.930
where: short stacking energy: -568.507
Base-Backbone interact. energy: -0.784
local terms energy: -606.509209
where:
bonds (distance) C4'-P energy: -113.363
bonds (distance) P-C4' energy: -120.473
flat angles C4'-P-C4' energy: -125.247
flat angles P-C4'-P energy: -72.673
tors. eta vs tors. theta energy: -174.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1885.261644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.261644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.261644 (E_RNA)
where:
Base-Base interactions energy: -1295.480
where: short stacking energy: -549.856
Base-Backbone interact. energy: 1.506
local terms energy: -591.287185
where:
bonds (distance) C4'-P energy: -101.794
bonds (distance) P-C4' energy: -110.205
flat angles C4'-P-C4' energy: -116.414
flat angles P-C4'-P energy: -88.554
tors. eta vs tors. theta energy: -174.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1781.879694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.879694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.879694 (E_RNA)
where:
Base-Base interactions energy: -1231.993
where: short stacking energy: -530.840
Base-Backbone interact. energy: -0.187
local terms energy: -549.699429
where:
bonds (distance) C4'-P energy: -89.755
bonds (distance) P-C4' energy: -111.019
flat angles C4'-P-C4' energy: -121.457
flat angles P-C4'-P energy: -82.203
tors. eta vs tors. theta energy: -145.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1739.709179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.709179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.709179 (E_RNA)
where:
Base-Base interactions energy: -1202.516
where: short stacking energy: -505.418
Base-Backbone interact. energy: -1.012
local terms energy: -536.180252
where:
bonds (distance) C4'-P energy: -96.561
bonds (distance) P-C4' energy: -98.118
flat angles C4'-P-C4' energy: -121.789
flat angles P-C4'-P energy: -76.363
tors. eta vs tors. theta energy: -143.349
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: 470
Temperature: 1.100000
Total energy: -1618.799004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.799004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.799004 (E_RNA)
where:
Base-Base interactions energy: -1102.237
where: short stacking energy: -477.990
Base-Backbone interact. energy: -0.206
local terms energy: -516.355878
where:
bonds (distance) C4'-P energy: -89.125
bonds (distance) P-C4' energy: -110.916
flat angles C4'-P-C4' energy: -106.703
flat angles P-C4'-P energy: -71.207
tors. eta vs tors. theta energy: -138.404
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: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1534.968295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.968295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.968295 (E_RNA)
where:
Base-Base interactions energy: -1068.402
where: short stacking energy: -479.564
Base-Backbone interact. energy: -1.936
local terms energy: -464.629751
where:
bonds (distance) C4'-P energy: -85.057
bonds (distance) P-C4' energy: -89.249
flat angles C4'-P-C4' energy: -92.581
flat angles P-C4'-P energy: -62.600
tors. eta vs tors. theta energy: -135.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1401.153907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.153907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.153907 (E_RNA)
where:
Base-Base interactions energy: -956.334
where: short stacking energy: -363.829
Base-Backbone interact. energy: -1.644
local terms energy: -443.175850
where:
bonds (distance) C4'-P energy: -77.478
bonds (distance) P-C4' energy: -95.532
flat angles C4'-P-C4' energy: -103.363
flat angles P-C4'-P energy: -74.439
tors. eta vs tors. theta energy: -92.363
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: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1141.233233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.233233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.233233 (E_RNA)
where:
Base-Base interactions energy: -733.161
where: short stacking energy: -326.244
Base-Backbone interact. energy: 2.494
local terms energy: -410.566830
where:
bonds (distance) C4'-P energy: -86.319
bonds (distance) P-C4' energy: -99.674
flat angles C4'-P-C4' energy: -94.272
flat angles P-C4'-P energy: -70.508
tors. eta vs tors. theta energy: -59.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -838.168872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.168872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.168872 (E_RNA)
where:
Base-Base interactions energy: -493.161
where: short stacking energy: -238.799
Base-Backbone interact. energy: 3.037
local terms energy: -348.044437
where:
bonds (distance) C4'-P energy: -80.096
bonds (distance) P-C4' energy: -103.244
flat angles C4'-P-C4' energy: -92.263
flat angles P-C4'-P energy: -44.917
tors. eta vs tors. theta energy: -27.524
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: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -515.649194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.649194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.649194 (E_RNA)
where:
Base-Base interactions energy: -257.298
where: short stacking energy: -147.264
Base-Backbone interact. energy: -0.663
local terms energy: -257.687895
where:
bonds (distance) C4'-P energy: -93.303
bonds (distance) P-C4' energy: -81.725
flat angles C4'-P-C4' energy: -65.720
flat angles P-C4'-P energy: -48.333
tors. eta vs tors. theta energy: 31.394
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: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1927.846061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.846061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.846061 (E_RNA)
where:
Base-Base interactions energy: -1329.639
where: short stacking energy: -575.168
Base-Backbone interact. energy: 1.323
local terms energy: -599.530446
where:
bonds (distance) C4'-P energy: -106.910
bonds (distance) P-C4' energy: -111.089
flat angles C4'-P-C4' energy: -126.613
flat angles P-C4'-P energy: -89.244
tors. eta vs tors. theta energy: -165.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1885.476520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.476520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.476520 (E_RNA)
where:
Base-Base interactions energy: -1275.478
where: short stacking energy: -536.945
Base-Backbone interact. energy: -5.735
local terms energy: -604.264005
where:
bonds (distance) C4'-P energy: -114.997
bonds (distance) P-C4' energy: -107.660
flat angles C4'-P-C4' energy: -122.088
flat angles P-C4'-P energy: -88.211
tors. eta vs tors. theta energy: -171.309
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: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1772.080314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.080314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.080314 (E_RNA)
where:
Base-Base interactions energy: -1207.900
where: short stacking energy: -529.452
Base-Backbone interact. energy: -2.689
local terms energy: -561.492046
where:
bonds (distance) C4'-P energy: -108.797
bonds (distance) P-C4' energy: -105.105
flat angles C4'-P-C4' energy: -121.883
flat angles P-C4'-P energy: -81.655
tors. eta vs tors. theta energy: -144.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1718.584405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.584405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.584405 (E_RNA)
where:
Base-Base interactions energy: -1197.377
where: short stacking energy: -482.626
Base-Backbone interact. energy: -3.812
local terms energy: -517.396042
where:
bonds (distance) C4'-P energy: -102.877
bonds (distance) P-C4' energy: -106.474
flat angles C4'-P-C4' energy: -106.853
flat angles P-C4'-P energy: -64.276
tors. eta vs tors. theta energy: -136.916
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: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1598.047215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.047215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.047215 (E_RNA)
where:
Base-Base interactions energy: -1084.613
where: short stacking energy: -470.741
Base-Backbone interact. energy: -1.073
local terms energy: -512.361754
where:
bonds (distance) C4'-P energy: -95.807
bonds (distance) P-C4' energy: -98.737
flat angles C4'-P-C4' energy: -105.913
flat angles P-C4'-P energy: -81.812
tors. eta vs tors. theta energy: -130.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1511.167917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.167917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.167917 (E_RNA)
where:
Base-Base interactions energy: -1013.600
where: short stacking energy: -429.517
Base-Backbone interact. energy: -2.673
local terms energy: -494.895642
where:
bonds (distance) C4'-P energy: -103.740
bonds (distance) P-C4' energy: -90.730
flat angles C4'-P-C4' energy: -105.545
flat angles P-C4'-P energy: -67.688
tors. eta vs tors. theta energy: -127.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1407.340116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.340116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.340116 (E_RNA)
where:
Base-Base interactions energy: -962.220
where: short stacking energy: -401.058
Base-Backbone interact. energy: 4.563
local terms energy: -449.682545
where:
bonds (distance) C4'-P energy: -76.411
bonds (distance) P-C4' energy: -102.617
flat angles C4'-P-C4' energy: -103.046
flat angles P-C4'-P energy: -70.826
tors. eta vs tors. theta energy: -96.783
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: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1157.216425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.216425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.216425 (E_RNA)
where:
Base-Base interactions energy: -770.480
where: short stacking energy: -330.033
Base-Backbone interact. energy: -1.961
local terms energy: -384.774723
where:
bonds (distance) C4'-P energy: -72.843
bonds (distance) P-C4' energy: -90.621
flat angles C4'-P-C4' energy: -93.445
flat angles P-C4'-P energy: -56.038
tors. eta vs tors. theta energy: -71.829
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: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -782.835030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.835030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.835030 (E_RNA)
where:
Base-Base interactions energy: -465.309
where: short stacking energy: -230.855
Base-Backbone interact. energy: -3.113
local terms energy: -314.413447
where:
bonds (distance) C4'-P energy: -78.999
bonds (distance) P-C4' energy: -89.552
flat angles C4'-P-C4' energy: -80.981
flat angles P-C4'-P energy: -45.977
tors. eta vs tors. theta energy: -18.905
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: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -447.393204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.393204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.393204 (E_RNA)
where:
Base-Base interactions energy: -181.151
where: short stacking energy: -137.312
Base-Backbone interact. energy: -1.549
local terms energy: -264.692999
where:
bonds (distance) C4'-P energy: -80.534
bonds (distance) P-C4' energy: -82.785
flat angles C4'-P-C4' energy: -75.397
flat angles P-C4'-P energy: -41.756
tors. eta vs tors. theta energy: 15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1951.157270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.157270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.157270 (E_RNA)
where:
Base-Base interactions energy: -1363.906
where: short stacking energy: -581.146
Base-Backbone interact. energy: -3.238
local terms energy: -584.013249
where:
bonds (distance) C4'-P energy: -103.211
bonds (distance) P-C4' energy: -104.837
flat angles C4'-P-C4' energy: -119.997
flat angles P-C4'-P energy: -86.115
tors. eta vs tors. theta energy: -169.853
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: 472
Temperature: 0.950000
Total energy: -1883.789444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.789444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.789444 (E_RNA)
where:
Base-Base interactions energy: -1301.812
where: short stacking energy: -576.981
Base-Backbone interact. energy: -3.827
local terms energy: -578.150365
where:
bonds (distance) C4'-P energy: -90.056
bonds (distance) P-C4' energy: -96.041
flat angles C4'-P-C4' energy: -124.433
flat angles P-C4'-P energy: -92.166
tors. eta vs tors. theta energy: -175.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1809.014464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.014464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.014464 (E_RNA)
where:
Base-Base interactions energy: -1236.645
where: short stacking energy: -548.366
Base-Backbone interact. energy: -1.487
local terms energy: -570.882634
where:
bonds (distance) C4'-P energy: -100.853
bonds (distance) P-C4' energy: -106.138
flat angles C4'-P-C4' energy: -127.582
flat angles P-C4'-P energy: -79.619
tors. eta vs tors. theta energy: -156.691
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: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1752.329005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.329005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.329005 (E_RNA)
where:
Base-Base interactions energy: -1212.882
where: short stacking energy: -535.084
Base-Backbone interact. energy: -2.310
local terms energy: -537.136320
where:
bonds (distance) C4'-P energy: -97.447
bonds (distance) P-C4' energy: -91.526
flat angles C4'-P-C4' energy: -116.942
flat angles P-C4'-P energy: -79.274
tors. eta vs tors. theta energy: -151.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1602.964094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.964094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.964094 (E_RNA)
where:
Base-Base interactions energy: -1101.732
where: short stacking energy: -488.051
Base-Backbone interact. energy: -0.949
local terms energy: -500.283520
where:
bonds (distance) C4'-P energy: -84.719
bonds (distance) P-C4' energy: -90.128
flat angles C4'-P-C4' energy: -116.460
flat angles P-C4'-P energy: -69.729
tors. eta vs tors. theta energy: -139.248
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: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1507.999421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.999421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.999421 (E_RNA)
where:
Base-Base interactions energy: -1017.708
where: short stacking energy: -456.859
Base-Backbone interact. energy: -1.228
local terms energy: -489.063183
where:
bonds (distance) C4'-P energy: -94.731
bonds (distance) P-C4' energy: -88.804
flat angles C4'-P-C4' energy: -109.942
flat angles P-C4'-P energy: -65.184
tors. eta vs tors. theta energy: -130.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1412.998901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.998901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.998901 (E_RNA)
where:
Base-Base interactions energy: -976.220
where: short stacking energy: -413.332
Base-Backbone interact. energy: -1.219
local terms energy: -435.559557
where:
bonds (distance) C4'-P energy: -81.046
bonds (distance) P-C4' energy: -92.844
flat angles C4'-P-C4' energy: -95.485
flat angles P-C4'-P energy: -61.912
tors. eta vs tors. theta energy: -104.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1148.645906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.645906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.645906 (E_RNA)
where:
Base-Base interactions energy: -722.977
where: short stacking energy: -305.173
Base-Backbone interact. energy: -1.344
local terms energy: -424.325270
where:
bonds (distance) C4'-P energy: -87.058
bonds (distance) P-C4' energy: -90.809
flat angles C4'-P-C4' energy: -109.834
flat angles P-C4'-P energy: -71.774
tors. eta vs tors. theta energy: -64.852
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: 472
Temperature: 1.300000
Total energy: -715.599308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.599308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.599308 (E_RNA)
where:
Base-Base interactions energy: -388.246
where: short stacking energy: -185.823
Base-Backbone interact. energy: -2.757
local terms energy: -324.596303
where:
bonds (distance) C4'-P energy: -82.277
bonds (distance) P-C4' energy: -88.406
flat angles C4'-P-C4' energy: -96.498
flat angles P-C4'-P energy: -55.366
tors. eta vs tors. theta energy: -2.049
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: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -487.095702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.095702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.095702 (E_RNA)
where:
Base-Base interactions energy: -212.221
where: short stacking energy: -144.681
Base-Backbone interact. energy: -1.521
local terms energy: -273.353575
where:
bonds (distance) C4'-P energy: -86.501
bonds (distance) P-C4' energy: -84.422
flat angles C4'-P-C4' energy: -62.178
flat angles P-C4'-P energy: -51.705
tors. eta vs tors. theta energy: 11.452
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: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1937.625863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.625863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.625863 (E_RNA)
where:
Base-Base interactions energy: -1350.344
where: short stacking energy: -563.792
Base-Backbone interact. energy: -1.335
local terms energy: -585.946607
where:
bonds (distance) C4'-P energy: -115.542
bonds (distance) P-C4' energy: -96.860
flat angles C4'-P-C4' energy: -112.898
flat angles P-C4'-P energy: -91.331
tors. eta vs tors. theta energy: -169.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1876.269399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.269399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.269399 (E_RNA)
where:
Base-Base interactions energy: -1306.292
where: short stacking energy: -546.005
Base-Backbone interact. energy: -0.624
local terms energy: -569.353661
where:
bonds (distance) C4'-P energy: -98.144
bonds (distance) P-C4' energy: -104.838
flat angles C4'-P-C4' energy: -112.919
flat angles P-C4'-P energy: -81.340
tors. eta vs tors. theta energy: -172.113
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: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1809.317216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.317216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.317216 (E_RNA)
where:
Base-Base interactions energy: -1228.436
where: short stacking energy: -523.400
Base-Backbone interact. energy: -2.183
local terms energy: -578.698787
where:
bonds (distance) C4'-P energy: -108.127
bonds (distance) P-C4' energy: -103.597
flat angles C4'-P-C4' energy: -128.840
flat angles P-C4'-P energy: -72.836
tors. eta vs tors. theta energy: -165.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1726.404370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.404370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.404370 (E_RNA)
where:
Base-Base interactions energy: -1183.428
where: short stacking energy: -513.279
Base-Backbone interact. energy: -3.976
local terms energy: -539.000413
where:
bonds (distance) C4'-P energy: -107.948
bonds (distance) P-C4' energy: -89.860
flat angles C4'-P-C4' energy: -118.216
flat angles P-C4'-P energy: -81.617
tors. eta vs tors. theta energy: -141.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1621.550866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.550866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.550866 (E_RNA)
where:
Base-Base interactions energy: -1117.709
where: short stacking energy: -476.429
Base-Backbone interact. energy: -1.398
local terms energy: -502.444030
where:
bonds (distance) C4'-P energy: -92.066
bonds (distance) P-C4' energy: -89.453
flat angles C4'-P-C4' energy: -108.411
flat angles P-C4'-P energy: -80.646
tors. eta vs tors. theta energy: -131.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1466.505077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.505077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.505077 (E_RNA)
where:
Base-Base interactions energy: -990.927
where: short stacking energy: -411.860
Base-Backbone interact. energy: -1.408
local terms energy: -474.169130
where:
bonds (distance) C4'-P energy: -99.491
bonds (distance) P-C4' energy: -103.884
flat angles C4'-P-C4' energy: -95.285
flat angles P-C4'-P energy: -70.022
tors. eta vs tors. theta energy: -105.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1461.741452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.741452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.741452 (E_RNA)
where:
Base-Base interactions energy: -990.266
where: short stacking energy: -417.822
Base-Backbone interact. energy: -1.750
local terms energy: -469.725954
where:
bonds (distance) C4'-P energy: -92.890
bonds (distance) P-C4' energy: -100.633
flat angles C4'-P-C4' energy: -86.798
flat angles P-C4'-P energy: -77.471
tors. eta vs tors. theta energy: -111.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1182.560670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.560670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.560670 (E_RNA)
where:
Base-Base interactions energy: -750.341
where: short stacking energy: -321.639
Base-Backbone interact. energy: -0.371
local terms energy: -431.849058
where:
bonds (distance) C4'-P energy: -108.727
bonds (distance) P-C4' energy: -94.266
flat angles C4'-P-C4' energy: -95.505
flat angles P-C4'-P energy: -64.050
tors. eta vs tors. theta energy: -69.301
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: 473
Temperature: 1.300000
Total energy: -786.280882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.280882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.280882 (E_RNA)
where:
Base-Base interactions energy: -450.645
where: short stacking energy: -230.041
Base-Backbone interact. energy: -1.770
local terms energy: -333.865401
where:
bonds (distance) C4'-P energy: -88.926
bonds (distance) P-C4' energy: -94.318
flat angles C4'-P-C4' energy: -70.741
flat angles P-C4'-P energy: -61.920
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -467.005199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.005199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.005199 (E_RNA)
where:
Base-Base interactions energy: -181.958
where: short stacking energy: -142.845
Base-Backbone interact. energy: -2.146
local terms energy: -282.901928
where:
bonds (distance) C4'-P energy: -85.784
bonds (distance) P-C4' energy: -105.012
flat angles C4'-P-C4' energy: -70.018
flat angles P-C4'-P energy: -38.481
tors. eta vs tors. theta energy: 16.394
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: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1949.064418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.064418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.064418 (E_RNA)
where:
Base-Base interactions energy: -1338.643
where: short stacking energy: -575.852
Base-Backbone interact. energy: -1.082
local terms energy: -609.339304
where:
bonds (distance) C4'-P energy: -99.756
bonds (distance) P-C4' energy: -110.836
flat angles C4'-P-C4' energy: -127.770
flat angles P-C4'-P energy: -96.144
tors. eta vs tors. theta energy: -174.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1885.221792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.221792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.221792 (E_RNA)
where:
Base-Base interactions energy: -1313.258
where: short stacking energy: -569.655
Base-Backbone interact. energy: -2.521
local terms energy: -569.442862
where:
bonds (distance) C4'-P energy: -101.687
bonds (distance) P-C4' energy: -87.309
flat angles C4'-P-C4' energy: -116.848
flat angles P-C4'-P energy: -91.372
tors. eta vs tors. theta energy: -172.227
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: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1755.433570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.433570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.433570 (E_RNA)
where:
Base-Base interactions energy: -1202.904
where: short stacking energy: -516.989
Base-Backbone interact. energy: 0.039
local terms energy: -552.568997
where:
bonds (distance) C4'-P energy: -98.847
bonds (distance) P-C4' energy: -111.629
flat angles C4'-P-C4' energy: -116.475
flat angles P-C4'-P energy: -77.692
tors. eta vs tors. theta energy: -147.926
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: 3
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1669.288639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.288639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.288639 (E_RNA)
where:
Base-Base interactions energy: -1149.433
where: short stacking energy: -498.009
Base-Backbone interact. energy: -3.220
local terms energy: -516.635513
where:
bonds (distance) C4'-P energy: -88.684
bonds (distance) P-C4' energy: -97.832
flat angles C4'-P-C4' energy: -118.289
flat angles P-C4'-P energy: -64.960
tors. eta vs tors. theta energy: -146.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1583.529006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.529006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.529006 (E_RNA)
where:
Base-Base interactions energy: -1070.135
where: short stacking energy: -457.046
Base-Backbone interact. energy: -3.179
local terms energy: -510.214685
where:
bonds (distance) C4'-P energy: -99.725
bonds (distance) P-C4' energy: -100.190
flat angles C4'-P-C4' energy: -115.727
flat angles P-C4'-P energy: -69.594
tors. eta vs tors. theta energy: -124.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1420.436042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.436042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.436042 (E_RNA)
where:
Base-Base interactions energy: -964.790
where: short stacking energy: -386.403
Base-Backbone interact. energy: -0.777
local terms energy: -454.868494
where:
bonds (distance) C4'-P energy: -111.889
bonds (distance) P-C4' energy: -72.017
flat angles C4'-P-C4' energy: -105.016
flat angles P-C4'-P energy: -72.466
tors. eta vs tors. theta energy: -93.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1458.882148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.882148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.882148 (E_RNA)
where:
Base-Base interactions energy: -987.312
where: short stacking energy: -408.804
Base-Backbone interact. energy: -1.939
local terms energy: -469.631424
where:
bonds (distance) C4'-P energy: -77.506
bonds (distance) P-C4' energy: -89.238
flat angles C4'-P-C4' energy: -115.569
flat angles P-C4'-P energy: -70.056
tors. eta vs tors. theta energy: -117.263
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: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1167.062168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.062168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.062168 (E_RNA)
where:
Base-Base interactions energy: -761.204
where: short stacking energy: -315.679
Base-Backbone interact. energy: -3.021
local terms energy: -402.837125
where:
bonds (distance) C4'-P energy: -84.965
bonds (distance) P-C4' energy: -90.032
flat angles C4'-P-C4' energy: -85.455
flat angles P-C4'-P energy: -69.641
tors. eta vs tors. theta energy: -72.744
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: 474
Temperature: 1.300000
Total energy: -837.848070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.848070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.848070 (E_RNA)
where:
Base-Base interactions energy: -493.656
where: short stacking energy: -240.242
Base-Backbone interact. energy: 6.993
local terms energy: -351.184717
where:
bonds (distance) C4'-P energy: -89.023
bonds (distance) P-C4' energy: -96.495
flat angles C4'-P-C4' energy: -80.092
flat angles P-C4'-P energy: -47.688
tors. eta vs tors. theta energy: -37.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -415.244320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.244320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.244320 (E_RNA)
where:
Base-Base interactions energy: -169.197
where: short stacking energy: -133.156
Base-Backbone interact. energy: -2.127
local terms energy: -243.920374
where:
bonds (distance) C4'-P energy: -70.646
bonds (distance) P-C4' energy: -80.217
flat angles C4'-P-C4' energy: -73.608
flat angles P-C4'-P energy: -39.822
tors. eta vs tors. theta energy: 20.373
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: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1914.983945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.983945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.983945 (E_RNA)
where:
Base-Base interactions energy: -1330.176
where: short stacking energy: -575.496
Base-Backbone interact. energy: -1.961
local terms energy: -582.846708
where:
bonds (distance) C4'-P energy: -103.470
bonds (distance) P-C4' energy: -109.610
flat angles C4'-P-C4' energy: -119.931
flat angles P-C4'-P energy: -75.938
tors. eta vs tors. theta energy: -173.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1886.594810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.594810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.594810 (E_RNA)
where:
Base-Base interactions energy: -1298.035
where: short stacking energy: -571.091
Base-Backbone interact. energy: -3.353
local terms energy: -585.206775
where:
bonds (distance) C4'-P energy: -113.539
bonds (distance) P-C4' energy: -97.730
flat angles C4'-P-C4' energy: -119.016
flat angles P-C4'-P energy: -78.412
tors. eta vs tors. theta energy: -176.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1779.798481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.798481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.798481 (E_RNA)
where:
Base-Base interactions energy: -1201.721
where: short stacking energy: -532.985
Base-Backbone interact. energy: -1.951
local terms energy: -576.126206
where:
bonds (distance) C4'-P energy: -97.803
bonds (distance) P-C4' energy: -110.107
flat angles C4'-P-C4' energy: -127.421
flat angles P-C4'-P energy: -81.777
tors. eta vs tors. theta energy: -159.019
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: 475
Temperature: 1.050000
Total energy: -1663.150830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.150830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.150830 (E_RNA)
where:
Base-Base interactions energy: -1131.509
where: short stacking energy: -486.328
Base-Backbone interact. energy: -2.418
local terms energy: -529.223553
where:
bonds (distance) C4'-P energy: -99.752
bonds (distance) P-C4' energy: -99.194
flat angles C4'-P-C4' energy: -116.047
flat angles P-C4'-P energy: -70.053
tors. eta vs tors. theta energy: -144.178
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: 475
Temperature: 1.100000
Total energy: -1639.842973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.842973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.842973 (E_RNA)
where:
Base-Base interactions energy: -1123.004
where: short stacking energy: -485.480
Base-Backbone interact. energy: -3.806
local terms energy: -513.033447
where:
bonds (distance) C4'-P energy: -109.617
bonds (distance) P-C4' energy: -87.860
flat angles C4'-P-C4' energy: -117.057
flat angles P-C4'-P energy: -59.531
tors. eta vs tors. theta energy: -138.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1488.229535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.229535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.229535 (E_RNA)
where:
Base-Base interactions energy: -1014.099
where: short stacking energy: -440.869
Base-Backbone interact. energy: -1.877
local terms energy: -472.252997
where:
bonds (distance) C4'-P energy: -88.746
bonds (distance) P-C4' energy: -92.762
flat angles C4'-P-C4' energy: -114.165
flat angles P-C4'-P energy: -68.349
tors. eta vs tors. theta energy: -108.231
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: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1469.940698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.940698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.940698 (E_RNA)
where:
Base-Base interactions energy: -1021.083
where: short stacking energy: -432.695
Base-Backbone interact. energy: 3.453
local terms energy: -452.310488
where:
bonds (distance) C4'-P energy: -82.340
bonds (distance) P-C4' energy: -89.596
flat angles C4'-P-C4' energy: -109.318
flat angles P-C4'-P energy: -69.656
tors. eta vs tors. theta energy: -101.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1182.965861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.965861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.965861 (E_RNA)
where:
Base-Base interactions energy: -782.368
where: short stacking energy: -362.866
Base-Backbone interact. energy: -0.199
local terms energy: -400.398967
where:
bonds (distance) C4'-P energy: -79.099
bonds (distance) P-C4' energy: -90.240
flat angles C4'-P-C4' energy: -76.903
flat angles P-C4'-P energy: -59.981
tors. eta vs tors. theta energy: -94.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -805.761735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.761735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.761735 (E_RNA)
where:
Base-Base interactions energy: -485.199
where: short stacking energy: -233.289
Base-Backbone interact. energy: -1.277
local terms energy: -319.285130
where:
bonds (distance) C4'-P energy: -82.827
bonds (distance) P-C4' energy: -96.158
flat angles C4'-P-C4' energy: -71.506
flat angles P-C4'-P energy: -54.139
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -461.692051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.692051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.692051 (E_RNA)
where:
Base-Base interactions energy: -190.064
where: short stacking energy: -126.424
Base-Backbone interact. energy: -2.934
local terms energy: -268.693550
where:
bonds (distance) C4'-P energy: -74.953
bonds (distance) P-C4' energy: -98.892
flat angles C4'-P-C4' energy: -77.470
flat angles P-C4'-P energy: -29.342
tors. eta vs tors. theta energy: 11.964
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: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1928.964963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.964963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.964963 (E_RNA)
where:
Base-Base interactions energy: -1318.525
where: short stacking energy: -572.942
Base-Backbone interact. energy: -2.685
local terms energy: -607.754620
where:
bonds (distance) C4'-P energy: -104.597
bonds (distance) P-C4' energy: -115.925
flat angles C4'-P-C4' energy: -126.871
flat angles P-C4'-P energy: -91.338
tors. eta vs tors. theta energy: -169.024
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: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1896.296345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.296345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.296345 (E_RNA)
where:
Base-Base interactions energy: -1285.323
where: short stacking energy: -552.766
Base-Backbone interact. energy: -2.148
local terms energy: -608.826206
where:
bonds (distance) C4'-P energy: -122.939
bonds (distance) P-C4' energy: -104.952
flat angles C4'-P-C4' energy: -117.273
flat angles P-C4'-P energy: -83.696
tors. eta vs tors. theta energy: -179.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1772.633253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.633253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.633253 (E_RNA)
where:
Base-Base interactions energy: -1233.279
where: short stacking energy: -533.260
Base-Backbone interact. energy: -2.414
local terms energy: -536.939721
where:
bonds (distance) C4'-P energy: -103.165
bonds (distance) P-C4' energy: -97.171
flat angles C4'-P-C4' energy: -112.576
flat angles P-C4'-P energy: -71.102
tors. eta vs tors. theta energy: -152.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1704.716716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.716716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.716716 (E_RNA)
where:
Base-Base interactions energy: -1167.784
where: short stacking energy: -529.739
Base-Backbone interact. energy: -0.855
local terms energy: -536.077478
where:
bonds (distance) C4'-P energy: -92.631
bonds (distance) P-C4' energy: -112.053
flat angles C4'-P-C4' energy: -112.399
flat angles P-C4'-P energy: -72.026
tors. eta vs tors. theta energy: -146.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1663.734965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.734965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.734965 (E_RNA)
where:
Base-Base interactions energy: -1155.485
where: short stacking energy: -491.483
Base-Backbone interact. energy: -1.586
local terms energy: -506.664582
where:
bonds (distance) C4'-P energy: -88.920
bonds (distance) P-C4' energy: -82.749
flat angles C4'-P-C4' energy: -114.477
flat angles P-C4'-P energy: -82.844
tors. eta vs tors. theta energy: -137.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1530.688422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.688422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.688422 (E_RNA)
where:
Base-Base interactions energy: -1046.996
where: short stacking energy: -424.366
Base-Backbone interact. energy: -0.782
local terms energy: -482.910964
where:
bonds (distance) C4'-P energy: -87.975
bonds (distance) P-C4' energy: -96.967
flat angles C4'-P-C4' energy: -113.035
flat angles P-C4'-P energy: -67.597
tors. eta vs tors. theta energy: -117.337
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: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1381.844460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.844460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.844460 (E_RNA)
where:
Base-Base interactions energy: -926.139
where: short stacking energy: -380.633
Base-Backbone interact. energy: -0.183
local terms energy: -455.522326
where:
bonds (distance) C4'-P energy: -90.892
bonds (distance) P-C4' energy: -79.117
flat angles C4'-P-C4' energy: -102.176
flat angles P-C4'-P energy: -79.846
tors. eta vs tors. theta energy: -103.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1166.709009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.709009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.709009 (E_RNA)
where:
Base-Base interactions energy: -757.462
where: short stacking energy: -337.098
Base-Backbone interact. energy: -0.125
local terms energy: -409.122484
where:
bonds (distance) C4'-P energy: -102.672
bonds (distance) P-C4' energy: -91.980
flat angles C4'-P-C4' energy: -76.138
flat angles P-C4'-P energy: -63.002
tors. eta vs tors. theta energy: -75.330
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: 476
Temperature: 1.300000
Total energy: -903.926355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.926355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.926355 (E_RNA)
where:
Base-Base interactions energy: -522.217
where: short stacking energy: -264.410
Base-Backbone interact. energy: -2.079
local terms energy: -379.631222
where:
bonds (distance) C4'-P energy: -95.693
bonds (distance) P-C4' energy: -89.500
flat angles C4'-P-C4' energy: -91.405
flat angles P-C4'-P energy: -51.341
tors. eta vs tors. theta energy: -51.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -456.964305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.964305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.964305 (E_RNA)
where:
Base-Base interactions energy: -188.543
where: short stacking energy: -134.476
Base-Backbone interact. energy: 6.272
local terms energy: -274.692826
where:
bonds (distance) C4'-P energy: -91.960
bonds (distance) P-C4' energy: -79.997
flat angles C4'-P-C4' energy: -91.290
flat angles P-C4'-P energy: -25.314
tors. eta vs tors. theta energy: 13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1909.760221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.760221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.760221 (E_RNA)
where:
Base-Base interactions energy: -1323.825
where: short stacking energy: -568.476
Base-Backbone interact. energy: -6.094
local terms energy: -579.841280
where:
bonds (distance) C4'-P energy: -101.517
bonds (distance) P-C4' energy: -104.542
flat angles C4'-P-C4' energy: -124.861
flat angles P-C4'-P energy: -78.238
tors. eta vs tors. theta energy: -170.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1876.937257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.937257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.937257 (E_RNA)
where:
Base-Base interactions energy: -1299.148
where: short stacking energy: -558.525
Base-Backbone interact. energy: -3.831
local terms energy: -573.958585
where:
bonds (distance) C4'-P energy: -99.048
bonds (distance) P-C4' energy: -105.239
flat angles C4'-P-C4' energy: -105.820
flat angles P-C4'-P energy: -93.667
tors. eta vs tors. theta energy: -170.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1790.711129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.711129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.711129 (E_RNA)
where:
Base-Base interactions energy: -1250.516
where: short stacking energy: -541.198
Base-Backbone interact. energy: 4.021
local terms energy: -544.215998
where:
bonds (distance) C4'-P energy: -84.708
bonds (distance) P-C4' energy: -104.482
flat angles C4'-P-C4' energy: -119.563
flat angles P-C4'-P energy: -79.264
tors. eta vs tors. theta energy: -156.199
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: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1648.170534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.170534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.170534 (E_RNA)
where:
Base-Base interactions energy: -1107.001
where: short stacking energy: -504.047
Base-Backbone interact. energy: -0.319
local terms energy: -540.850384
where:
bonds (distance) C4'-P energy: -100.533
bonds (distance) P-C4' energy: -102.547
flat angles C4'-P-C4' energy: -106.553
flat angles P-C4'-P energy: -88.390
tors. eta vs tors. theta energy: -142.828
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: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1643.540389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.540389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.540389 (E_RNA)
where:
Base-Base interactions energy: -1108.158
where: short stacking energy: -471.137
Base-Backbone interact. energy: -3.195
local terms energy: -532.187162
where:
bonds (distance) C4'-P energy: -107.320
bonds (distance) P-C4' energy: -105.938
flat angles C4'-P-C4' energy: -104.312
flat angles P-C4'-P energy: -76.671
tors. eta vs tors. theta energy: -137.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1500.683538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.683538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.683538 (E_RNA)
where:
Base-Base interactions energy: -1015.482
where: short stacking energy: -466.518
Base-Backbone interact. energy: -0.664
local terms energy: -484.537569
where:
bonds (distance) C4'-P energy: -83.158
bonds (distance) P-C4' energy: -99.612
flat angles C4'-P-C4' energy: -101.961
flat angles P-C4'-P energy: -74.564
tors. eta vs tors. theta energy: -125.244
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: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1370.078162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.078162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.078162 (E_RNA)
where:
Base-Base interactions energy: -914.346
where: short stacking energy: -389.065
Base-Backbone interact. energy: -0.924
local terms energy: -454.807340
where:
bonds (distance) C4'-P energy: -98.516
bonds (distance) P-C4' energy: -93.117
flat angles C4'-P-C4' energy: -88.983
flat angles P-C4'-P energy: -61.687
tors. eta vs tors. theta energy: -112.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1144.424570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.424570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.424570 (E_RNA)
where:
Base-Base interactions energy: -749.629
where: short stacking energy: -337.457
Base-Backbone interact. energy: -1.497
local terms energy: -393.298878
where:
bonds (distance) C4'-P energy: -88.876
bonds (distance) P-C4' energy: -73.583
flat angles C4'-P-C4' energy: -87.135
flat angles P-C4'-P energy: -61.345
tors. eta vs tors. theta energy: -82.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -854.814754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.814754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.814754 (E_RNA)
where:
Base-Base interactions energy: -491.955
where: short stacking energy: -239.932
Base-Backbone interact. energy: -1.513
local terms energy: -361.347251
where:
bonds (distance) C4'-P energy: -92.829
bonds (distance) P-C4' energy: -95.396
flat angles C4'-P-C4' energy: -89.822
flat angles P-C4'-P energy: -47.225
tors. eta vs tors. theta energy: -36.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -479.873389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.873389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.873389 (E_RNA)
where:
Base-Base interactions energy: -193.326
where: short stacking energy: -144.292
Base-Backbone interact. energy: -1.679
local terms energy: -284.868102
where:
bonds (distance) C4'-P energy: -86.399
bonds (distance) P-C4' energy: -113.415
flat angles C4'-P-C4' energy: -59.376
flat angles P-C4'-P energy: -33.138
tors. eta vs tors. theta energy: 7.460
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: 478
Temperature: 0.900000
Total energy: -1896.992737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.992737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.992737 (E_RNA)
where:
Base-Base interactions energy: -1307.655
where: short stacking energy: -568.944
Base-Backbone interact. energy: -3.030
local terms energy: -586.306837
where:
bonds (distance) C4'-P energy: -114.414
bonds (distance) P-C4' energy: -103.221
flat angles C4'-P-C4' energy: -114.767
flat angles P-C4'-P energy: -90.588
tors. eta vs tors. theta energy: -163.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1885.428213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.428213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.428213 (E_RNA)
where:
Base-Base interactions energy: -1288.108
where: short stacking energy: -567.340
Base-Backbone interact. energy: -3.032
local terms energy: -594.287979
where:
bonds (distance) C4'-P energy: -109.749
bonds (distance) P-C4' energy: -99.104
flat angles C4'-P-C4' energy: -122.696
flat angles P-C4'-P energy: -83.763
tors. eta vs tors. theta energy: -178.976
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: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1765.385296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.385296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.385296 (E_RNA)
where:
Base-Base interactions energy: -1197.753
where: short stacking energy: -518.481
Base-Backbone interact. energy: -1.663
local terms energy: -565.968508
where:
bonds (distance) C4'-P energy: -101.856
bonds (distance) P-C4' energy: -112.578
flat angles C4'-P-C4' energy: -107.786
flat angles P-C4'-P energy: -87.161
tors. eta vs tors. theta energy: -156.586
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: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1687.510399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.510399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.510399 (E_RNA)
where:
Base-Base interactions energy: -1145.108
where: short stacking energy: -488.508
Base-Backbone interact. energy: 0.321
local terms energy: -542.724146
where:
bonds (distance) C4'-P energy: -103.662
bonds (distance) P-C4' energy: -110.538
flat angles C4'-P-C4' energy: -116.839
flat angles P-C4'-P energy: -62.347
tors. eta vs tors. theta energy: -149.338
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: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1650.155134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.155134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.155134 (E_RNA)
where:
Base-Base interactions energy: -1142.012
where: short stacking energy: -501.883
Base-Backbone interact. energy: -0.507
local terms energy: -507.636371
where:
bonds (distance) C4'-P energy: -89.344
bonds (distance) P-C4' energy: -102.095
flat angles C4'-P-C4' energy: -104.310
flat angles P-C4'-P energy: -61.381
tors. eta vs tors. theta energy: -150.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1520.949614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.949614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.949614 (E_RNA)
where:
Base-Base interactions energy: -1063.345
where: short stacking energy: -443.427
Base-Backbone interact. energy: -1.548
local terms energy: -456.056568
where:
bonds (distance) C4'-P energy: -70.173
bonds (distance) P-C4' energy: -101.441
flat angles C4'-P-C4' energy: -97.250
flat angles P-C4'-P energy: -66.553
tors. eta vs tors. theta energy: -120.640
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: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1491.787011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.787011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.787011 (E_RNA)
where:
Base-Base interactions energy: -1004.354
where: short stacking energy: -430.808
Base-Backbone interact. energy: 3.124
local terms energy: -490.557051
where:
bonds (distance) C4'-P energy: -98.451
bonds (distance) P-C4' energy: -101.458
flat angles C4'-P-C4' energy: -96.756
flat angles P-C4'-P energy: -71.978
tors. eta vs tors. theta energy: -121.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1202.237645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.237645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.237645 (E_RNA)
where:
Base-Base interactions energy: -787.457
where: short stacking energy: -330.704
Base-Backbone interact. energy: -3.028
local terms energy: -411.752275
where:
bonds (distance) C4'-P energy: -95.168
bonds (distance) P-C4' energy: -86.082
flat angles C4'-P-C4' energy: -87.070
flat angles P-C4'-P energy: -53.853
tors. eta vs tors. theta energy: -89.579
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: 478
Temperature: 1.300000
Total energy: -844.553300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.553300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.553300 (E_RNA)
where:
Base-Base interactions energy: -477.108
where: short stacking energy: -225.325
Base-Backbone interact. energy: -0.508
local terms energy: -366.937990
where:
bonds (distance) C4'-P energy: -100.689
bonds (distance) P-C4' energy: -84.131
flat angles C4'-P-C4' energy: -83.957
flat angles P-C4'-P energy: -54.551
tors. eta vs tors. theta energy: -43.609
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: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -454.090468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.090468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.090468 (E_RNA)
where:
Base-Base interactions energy: -187.760
where: short stacking energy: -127.556
Base-Backbone interact. energy: -0.370
local terms energy: -265.960641
where:
bonds (distance) C4'-P energy: -76.056
bonds (distance) P-C4' energy: -89.272
flat angles C4'-P-C4' energy: -66.548
flat angles P-C4'-P energy: -52.646
tors. eta vs tors. theta energy: 18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1922.709863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.709863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.709863 (E_RNA)
where:
Base-Base interactions energy: -1318.760
where: short stacking energy: -575.943
Base-Backbone interact. energy: -1.995
local terms energy: -601.954082
where:
bonds (distance) C4'-P energy: -109.361
bonds (distance) P-C4' energy: -115.093
flat angles C4'-P-C4' energy: -126.338
flat angles P-C4'-P energy: -78.248
tors. eta vs tors. theta energy: -172.914
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: 479
Temperature: 0.950000
Total energy: -1862.187580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.187580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.187580 (E_RNA)
where:
Base-Base interactions energy: -1264.064
where: short stacking energy: -557.206
Base-Backbone interact. energy: -5.720
local terms energy: -592.404069
where:
bonds (distance) C4'-P energy: -108.619
bonds (distance) P-C4' energy: -111.006
flat angles C4'-P-C4' energy: -110.509
flat angles P-C4'-P energy: -87.301
tors. eta vs tors. theta energy: -174.970
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: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1766.893274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.893274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.893274 (E_RNA)
where:
Base-Base interactions energy: -1203.101
where: short stacking energy: -541.384
Base-Backbone interact. energy: -3.881
local terms energy: -559.911532
where:
bonds (distance) C4'-P energy: -99.626
bonds (distance) P-C4' energy: -105.135
flat angles C4'-P-C4' energy: -115.082
flat angles P-C4'-P energy: -86.745
tors. eta vs tors. theta energy: -153.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1678.276963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.276963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.276963 (E_RNA)
where:
Base-Base interactions energy: -1157.615
where: short stacking energy: -493.446
Base-Backbone interact. energy: -2.655
local terms energy: -518.007463
where:
bonds (distance) C4'-P energy: -103.317
bonds (distance) P-C4' energy: -98.663
flat angles C4'-P-C4' energy: -102.254
flat angles P-C4'-P energy: -79.704
tors. eta vs tors. theta energy: -134.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1643.796510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.796510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.796510 (E_RNA)
where:
Base-Base interactions energy: -1153.119
where: short stacking energy: -502.068
Base-Backbone interact. energy: -0.344
local terms energy: -490.333560
where:
bonds (distance) C4'-P energy: -84.961
bonds (distance) P-C4' energy: -78.544
flat angles C4'-P-C4' energy: -107.720
flat angles P-C4'-P energy: -71.225
tors. eta vs tors. theta energy: -147.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1494.765016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.765016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.765016 (E_RNA)
where:
Base-Base interactions energy: -1012.935
where: short stacking energy: -423.354
Base-Backbone interact. energy: -0.530
local terms energy: -481.299918
where:
bonds (distance) C4'-P energy: -87.137
bonds (distance) P-C4' energy: -101.873
flat angles C4'-P-C4' energy: -112.964
flat angles P-C4'-P energy: -67.019
tors. eta vs tors. theta energy: -112.308
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: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1475.900672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.900672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.900672 (E_RNA)
where:
Base-Base interactions energy: -1045.174
where: short stacking energy: -454.082
Base-Backbone interact. energy: -1.214
local terms energy: -429.512854
where:
bonds (distance) C4'-P energy: -72.987
bonds (distance) P-C4' energy: -68.678
flat angles C4'-P-C4' energy: -99.549
flat angles P-C4'-P energy: -64.250
tors. eta vs tors. theta energy: -124.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1151.834293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.834293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.834293 (E_RNA)
where:
Base-Base interactions energy: -754.629
where: short stacking energy: -334.917
Base-Backbone interact. energy: 3.789
local terms energy: -400.994004
where:
bonds (distance) C4'-P energy: -92.499
bonds (distance) P-C4' energy: -105.819
flat angles C4'-P-C4' energy: -82.501
flat angles P-C4'-P energy: -64.493
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: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -816.127370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.127370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.127370 (E_RNA)
where:
Base-Base interactions energy: -460.806
where: short stacking energy: -237.674
Base-Backbone interact. energy: -1.472
local terms energy: -353.848965
where:
bonds (distance) C4'-P energy: -100.480
bonds (distance) P-C4' energy: -78.817
flat angles C4'-P-C4' energy: -97.481
flat angles P-C4'-P energy: -45.839
tors. eta vs tors. theta energy: -31.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -469.394116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.394116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.394116 (E_RNA)
where:
Base-Base interactions energy: -221.538
where: short stacking energy: -133.559
Base-Backbone interact. energy: -1.508
local terms energy: -246.348011
where:
bonds (distance) C4'-P energy: -82.092
bonds (distance) P-C4' energy: -74.924
flat angles C4'-P-C4' energy: -63.489
flat angles P-C4'-P energy: -40.722
tors. eta vs tors. theta energy: 14.879
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: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1906.232826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.232826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.232826 (E_RNA)
where:
Base-Base interactions energy: -1308.893
where: short stacking energy: -571.363
Base-Backbone interact. energy: -2.106
local terms energy: -595.234281
where:
bonds (distance) C4'-P energy: -102.996
bonds (distance) P-C4' energy: -122.376
flat angles C4'-P-C4' energy: -113.218
flat angles P-C4'-P energy: -83.309
tors. eta vs tors. theta energy: -173.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1861.136778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.136778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.136778 (E_RNA)
where:
Base-Base interactions energy: -1280.672
where: short stacking energy: -575.910
Base-Backbone interact. energy: 0.191
local terms energy: -580.656007
where:
bonds (distance) C4'-P energy: -96.503
bonds (distance) P-C4' energy: -98.687
flat angles C4'-P-C4' energy: -128.620
flat angles P-C4'-P energy: -87.256
tors. eta vs tors. theta energy: -169.589
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: 480
Temperature: 1.000000
Total energy: -1794.681891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.681891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.681891 (E_RNA)
where:
Base-Base interactions energy: -1238.512
where: short stacking energy: -522.417
Base-Backbone interact. energy: -2.799
local terms energy: -553.371132
where:
bonds (distance) C4'-P energy: -104.166
bonds (distance) P-C4' energy: -102.587
flat angles C4'-P-C4' energy: -117.644
flat angles P-C4'-P energy: -70.449
tors. eta vs tors. theta energy: -158.525
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: 480
Temperature: 1.050000
Total energy: -1656.550675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.550675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.550675 (E_RNA)
where:
Base-Base interactions energy: -1141.650
where: short stacking energy: -499.672
Base-Backbone interact. energy: 0.569
local terms energy: -515.469404
where:
bonds (distance) C4'-P energy: -89.107
bonds (distance) P-C4' energy: -104.533
flat angles C4'-P-C4' energy: -122.079
flat angles P-C4'-P energy: -63.713
tors. eta vs tors. theta energy: -136.038
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: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1623.861709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.861709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.861709 (E_RNA)
where:
Base-Base interactions energy: -1109.310
where: short stacking energy: -484.182
Base-Backbone interact. energy: -2.489
local terms energy: -512.062205
where:
bonds (distance) C4'-P energy: -94.260
bonds (distance) P-C4' energy: -96.331
flat angles C4'-P-C4' energy: -107.300
flat angles P-C4'-P energy: -79.660
tors. eta vs tors. theta energy: -134.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1556.265268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.265268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.265268 (E_RNA)
where:
Base-Base interactions energy: -1056.684
where: short stacking energy: -448.525
Base-Backbone interact. energy: 1.695
local terms energy: -501.276859
where:
bonds (distance) C4'-P energy: -90.332
bonds (distance) P-C4' energy: -99.785
flat angles C4'-P-C4' energy: -112.796
flat angles P-C4'-P energy: -73.713
tors. eta vs tors. theta energy: -124.652
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: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1472.458395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.458395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.458395 (E_RNA)
where:
Base-Base interactions energy: -1000.925
where: short stacking energy: -423.272
Base-Backbone interact. energy: -2.553
local terms energy: -468.980026
where:
bonds (distance) C4'-P energy: -102.744
bonds (distance) P-C4' energy: -85.344
flat angles C4'-P-C4' energy: -102.766
flat angles P-C4'-P energy: -62.371
tors. eta vs tors. theta energy: -115.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1157.742647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.742647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.742647 (E_RNA)
where:
Base-Base interactions energy: -735.102
where: short stacking energy: -338.809
Base-Backbone interact. energy: -0.745
local terms energy: -421.895864
where:
bonds (distance) C4'-P energy: -75.043
bonds (distance) P-C4' energy: -102.596
flat angles C4'-P-C4' energy: -102.886
flat angles P-C4'-P energy: -69.732
tors. eta vs tors. theta energy: -71.639
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: 480
Temperature: 1.300000
Total energy: -843.103731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.103731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.103731 (E_RNA)
where:
Base-Base interactions energy: -475.371
where: short stacking energy: -238.069
Base-Backbone interact. energy: 3.005
local terms energy: -370.737706
where:
bonds (distance) C4'-P energy: -93.069
bonds (distance) P-C4' energy: -98.095
flat angles C4'-P-C4' energy: -96.145
flat angles P-C4'-P energy: -54.779
tors. eta vs tors. theta energy: -28.650
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: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -429.185998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.185998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.185998 (E_RNA)
where:
Base-Base interactions energy: -147.538
where: short stacking energy: -110.603
Base-Backbone interact. energy: -1.462
local terms energy: -280.186012
where:
bonds (distance) C4'-P energy: -94.353
bonds (distance) P-C4' energy: -84.118
flat angles C4'-P-C4' energy: -73.596
flat angles P-C4'-P energy: -44.349
tors. eta vs tors. theta energy: 16.229
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: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1922.377839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.377839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.377839 (E_RNA)
where:
Base-Base interactions energy: -1342.355
where: short stacking energy: -582.012
Base-Backbone interact. energy: 1.710
local terms energy: -581.732461
where:
bonds (distance) C4'-P energy: -112.502
bonds (distance) P-C4' energy: -99.467
flat angles C4'-P-C4' energy: -120.465
flat angles P-C4'-P energy: -81.048
tors. eta vs tors. theta energy: -168.250
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: 2, replica: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1893.000510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.000510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.000510 (E_RNA)
where:
Base-Base interactions energy: -1295.570
where: short stacking energy: -572.500
Base-Backbone interact. energy: 0.128
local terms energy: -597.557570
where:
bonds (distance) C4'-P energy: -105.252
bonds (distance) P-C4' energy: -113.293
flat angles C4'-P-C4' energy: -120.259
flat angles P-C4'-P energy: -83.687
tors. eta vs tors. theta energy: -175.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1772.411486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.411486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.411486 (E_RNA)
where:
Base-Base interactions energy: -1203.087
where: short stacking energy: -523.681
Base-Backbone interact. energy: 0.207
local terms energy: -569.531710
where:
bonds (distance) C4'-P energy: -115.465
bonds (distance) P-C4' energy: -115.789
flat angles C4'-P-C4' energy: -118.828
flat angles P-C4'-P energy: -73.732
tors. eta vs tors. theta energy: -145.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1628.974623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.974623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.974623 (E_RNA)
where:
Base-Base interactions energy: -1103.410
where: short stacking energy: -475.622
Base-Backbone interact. energy: -2.159
local terms energy: -523.405893
where:
bonds (distance) C4'-P energy: -96.577
bonds (distance) P-C4' energy: -116.453
flat angles C4'-P-C4' energy: -101.568
flat angles P-C4'-P energy: -74.342
tors. eta vs tors. theta energy: -134.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1606.747239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.747239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.747239 (E_RNA)
where:
Base-Base interactions energy: -1109.502
where: short stacking energy: -462.589
Base-Backbone interact. energy: 2.164
local terms energy: -499.409786
where:
bonds (distance) C4'-P energy: -92.685
bonds (distance) P-C4' energy: -102.848
flat angles C4'-P-C4' energy: -111.817
flat angles P-C4'-P energy: -62.435
tors. eta vs tors. theta energy: -129.624
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: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1525.929071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.929071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.929071 (E_RNA)
where:
Base-Base interactions energy: -1019.488
where: short stacking energy: -455.610
Base-Backbone interact. energy: -1.018
local terms energy: -505.423034
where:
bonds (distance) C4'-P energy: -97.252
bonds (distance) P-C4' energy: -93.761
flat angles C4'-P-C4' energy: -105.349
flat angles P-C4'-P energy: -79.090
tors. eta vs tors. theta energy: -129.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1519.453051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.453051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.453051 (E_RNA)
where:
Base-Base interactions energy: -1067.001
where: short stacking energy: -428.702
Base-Backbone interact. energy: -1.545
local terms energy: -450.906606
where:
bonds (distance) C4'-P energy: -80.371
bonds (distance) P-C4' energy: -88.812
flat angles C4'-P-C4' energy: -95.963
flat angles P-C4'-P energy: -62.811
tors. eta vs tors. theta energy: -122.949
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: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1168.095374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.095374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.095374 (E_RNA)
where:
Base-Base interactions energy: -762.053
where: short stacking energy: -313.027
Base-Backbone interact. energy: -0.611
local terms energy: -405.431492
where:
bonds (distance) C4'-P energy: -92.498
bonds (distance) P-C4' energy: -92.935
flat angles C4'-P-C4' energy: -89.403
flat angles P-C4'-P energy: -59.024
tors. eta vs tors. theta energy: -71.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -896.747940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.747940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.747940 (E_RNA)
where:
Base-Base interactions energy: -524.430
where: short stacking energy: -247.497
Base-Backbone interact. energy: -2.098
local terms energy: -370.219819
where:
bonds (distance) C4'-P energy: -89.698
bonds (distance) P-C4' energy: -102.996
flat angles C4'-P-C4' energy: -85.542
flat angles P-C4'-P energy: -48.885
tors. eta vs tors. theta energy: -43.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -488.976543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.976543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.976543 (E_RNA)
where:
Base-Base interactions energy: -196.965
where: short stacking energy: -145.273
Base-Backbone interact. energy: 0.328
local terms energy: -292.339350
where:
bonds (distance) C4'-P energy: -93.931
bonds (distance) P-C4' energy: -94.214
flat angles C4'-P-C4' energy: -73.447
flat angles P-C4'-P energy: -52.436
tors. eta vs tors. theta energy: 21.689
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: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1945.279487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.279487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.279487 (E_RNA)
where:
Base-Base interactions energy: -1339.996
where: short stacking energy: -571.489
Base-Backbone interact. energy: 3.587
local terms energy: -608.870168
where:
bonds (distance) C4'-P energy: -115.517
bonds (distance) P-C4' energy: -117.695
flat angles C4'-P-C4' energy: -125.761
flat angles P-C4'-P energy: -80.501
tors. eta vs tors. theta energy: -169.396
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: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1863.055890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.055890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.055890 (E_RNA)
where:
Base-Base interactions energy: -1263.433
where: short stacking energy: -558.872
Base-Backbone interact. energy: -2.866
local terms energy: -596.757771
where:
bonds (distance) C4'-P energy: -106.193
bonds (distance) P-C4' energy: -113.394
flat angles C4'-P-C4' energy: -109.826
flat angles P-C4'-P energy: -87.765
tors. eta vs tors. theta energy: -179.580
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: 482
Temperature: 1.000000
Total energy: -1793.357585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.357585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.357585 (E_RNA)
where:
Base-Base interactions energy: -1234.032
where: short stacking energy: -538.723
Base-Backbone interact. energy: -2.497
local terms energy: -556.828681
where:
bonds (distance) C4'-P energy: -104.041
bonds (distance) P-C4' energy: -101.503
flat angles C4'-P-C4' energy: -121.693
flat angles P-C4'-P energy: -80.198
tors. eta vs tors. theta energy: -149.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1625.820394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.820394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.820394 (E_RNA)
where:
Base-Base interactions energy: -1123.259
where: short stacking energy: -478.299
Base-Backbone interact. energy: -1.702
local terms energy: -500.860142
where:
bonds (distance) C4'-P energy: -110.222
bonds (distance) P-C4' energy: -84.255
flat angles C4'-P-C4' energy: -100.204
flat angles P-C4'-P energy: -72.149
tors. eta vs tors. theta energy: -134.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1637.120870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.120870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.120870 (E_RNA)
where:
Base-Base interactions energy: -1120.604
where: short stacking energy: -481.516
Base-Backbone interact. energy: -2.615
local terms energy: -513.901860
where:
bonds (distance) C4'-P energy: -101.958
bonds (distance) P-C4' energy: -86.979
flat angles C4'-P-C4' energy: -112.564
flat angles P-C4'-P energy: -74.262
tors. eta vs tors. theta energy: -138.138
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: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1550.826688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.826688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.826688 (E_RNA)
where:
Base-Base interactions energy: -1049.798
where: short stacking energy: -458.702
Base-Backbone interact. energy: -1.325
local terms energy: -499.703769
where:
bonds (distance) C4'-P energy: -100.031
bonds (distance) P-C4' energy: -92.361
flat angles C4'-P-C4' energy: -108.715
flat angles P-C4'-P energy: -75.678
tors. eta vs tors. theta energy: -122.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1455.960243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.960243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.960243 (E_RNA)
where:
Base-Base interactions energy: -994.591
where: short stacking energy: -423.440
Base-Backbone interact. energy: 1.324
local terms energy: -462.693044
where:
bonds (distance) C4'-P energy: -108.827
bonds (distance) P-C4' energy: -82.675
flat angles C4'-P-C4' energy: -96.152
flat angles P-C4'-P energy: -62.573
tors. eta vs tors. theta energy: -112.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1203.399699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.399699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.399699 (E_RNA)
where:
Base-Base interactions energy: -770.281
where: short stacking energy: -348.422
Base-Backbone interact. energy: 0.345
local terms energy: -433.463314
where:
bonds (distance) C4'-P energy: -86.755
bonds (distance) P-C4' energy: -115.730
flat angles C4'-P-C4' energy: -88.542
flat angles P-C4'-P energy: -72.596
tors. eta vs tors. theta energy: -69.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -884.131665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.131665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.131665 (E_RNA)
where:
Base-Base interactions energy: -565.178
where: short stacking energy: -268.219
Base-Backbone interact. energy: 2.234
local terms energy: -321.187187
where:
bonds (distance) C4'-P energy: -77.418
bonds (distance) P-C4' energy: -86.785
flat angles C4'-P-C4' energy: -70.350
flat angles P-C4'-P energy: -50.292
tors. eta vs tors. theta energy: -36.343
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: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -502.019930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.019930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.019930 (E_RNA)
where:
Base-Base interactions energy: -198.601
where: short stacking energy: -146.409
Base-Backbone interact. energy: 1.176
local terms energy: -304.595215
where:
bonds (distance) C4'-P energy: -73.851
bonds (distance) P-C4' energy: -102.818
flat angles C4'-P-C4' energy: -82.760
flat angles P-C4'-P energy: -38.758
tors. eta vs tors. theta energy: -6.408
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: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1934.254469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.254469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.254469 (E_RNA)
where:
Base-Base interactions energy: -1324.082
where: short stacking energy: -585.532
Base-Backbone interact. energy: -3.482
local terms energy: -606.689832
where:
bonds (distance) C4'-P energy: -116.115
bonds (distance) P-C4' energy: -103.730
flat angles C4'-P-C4' energy: -116.648
flat angles P-C4'-P energy: -97.353
tors. eta vs tors. theta energy: -172.844
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: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1876.367797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.367797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.367797 (E_RNA)
where:
Base-Base interactions energy: -1282.215
where: short stacking energy: -565.961
Base-Backbone interact. energy: -4.480
local terms energy: -589.672402
where:
bonds (distance) C4'-P energy: -112.563
bonds (distance) P-C4' energy: -107.435
flat angles C4'-P-C4' energy: -117.118
flat angles P-C4'-P energy: -83.296
tors. eta vs tors. theta energy: -169.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1763.033531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.033531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.033531 (E_RNA)
where:
Base-Base interactions energy: -1204.044
where: short stacking energy: -515.676
Base-Backbone interact. energy: -1.475
local terms energy: -557.515178
where:
bonds (distance) C4'-P energy: -106.514
bonds (distance) P-C4' energy: -108.448
flat angles C4'-P-C4' energy: -122.099
flat angles P-C4'-P energy: -69.089
tors. eta vs tors. theta energy: -151.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1667.813842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.813842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.813842 (E_RNA)
where:
Base-Base interactions energy: -1131.507
where: short stacking energy: -487.133
Base-Backbone interact. energy: -3.115
local terms energy: -533.191744
where:
bonds (distance) C4'-P energy: -111.909
bonds (distance) P-C4' energy: -101.520
flat angles C4'-P-C4' energy: -104.153
flat angles P-C4'-P energy: -82.040
tors. eta vs tors. theta energy: -133.570
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: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1622.418859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.418859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.418859 (E_RNA)
where:
Base-Base interactions energy: -1122.009
where: short stacking energy: -484.150
Base-Backbone interact. energy: -0.971
local terms energy: -499.438002
where:
bonds (distance) C4'-P energy: -76.803
bonds (distance) P-C4' energy: -89.797
flat angles C4'-P-C4' energy: -116.825
flat angles P-C4'-P energy: -72.877
tors. eta vs tors. theta energy: -143.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1558.890633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.890633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.890633 (E_RNA)
where:
Base-Base interactions energy: -1077.146
where: short stacking energy: -465.660
Base-Backbone interact. energy: -2.835
local terms energy: -478.909683
where:
bonds (distance) C4'-P energy: -99.051
bonds (distance) P-C4' energy: -80.901
flat angles C4'-P-C4' energy: -112.084
flat angles P-C4'-P energy: -56.706
tors. eta vs tors. theta energy: -130.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1491.965083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.965083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.965083 (E_RNA)
where:
Base-Base interactions energy: -1036.951
where: short stacking energy: -443.318
Base-Backbone interact. energy: -0.033
local terms energy: -454.980777
where:
bonds (distance) C4'-P energy: -89.188
bonds (distance) P-C4' energy: -105.790
flat angles C4'-P-C4' energy: -83.837
flat angles P-C4'-P energy: -56.130
tors. eta vs tors. theta energy: -120.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1202.626394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.626394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.626394 (E_RNA)
where:
Base-Base interactions energy: -787.581
where: short stacking energy: -349.887
Base-Backbone interact. energy: 1.388
local terms energy: -416.433885
where:
bonds (distance) C4'-P energy: -77.033
bonds (distance) P-C4' energy: -102.917
flat angles C4'-P-C4' energy: -105.890
flat angles P-C4'-P energy: -50.282
tors. eta vs tors. theta energy: -80.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -965.666875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.666875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.666875 (E_RNA)
where:
Base-Base interactions energy: -562.256
where: short stacking energy: -266.730
Base-Backbone interact. energy: -3.613
local terms energy: -399.797558
where:
bonds (distance) C4'-P energy: -94.989
bonds (distance) P-C4' energy: -94.807
flat angles C4'-P-C4' energy: -112.381
flat angles P-C4'-P energy: -47.782
tors. eta vs tors. theta energy: -49.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -492.103077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.103077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.103077 (E_RNA)
where:
Base-Base interactions energy: -226.661
where: short stacking energy: -152.490
Base-Backbone interact. energy: 1.250
local terms energy: -266.691742
where:
bonds (distance) C4'-P energy: -98.891
bonds (distance) P-C4' energy: -81.465
flat angles C4'-P-C4' energy: -55.490
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: 13.202
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: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1909.301375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.301375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.301375 (E_RNA)
where:
Base-Base interactions energy: -1303.933
where: short stacking energy: -567.396
Base-Backbone interact. energy: -2.264
local terms energy: -603.104250
where:
bonds (distance) C4'-P energy: -113.965
bonds (distance) P-C4' energy: -120.561
flat angles C4'-P-C4' energy: -130.977
flat angles P-C4'-P energy: -75.933
tors. eta vs tors. theta energy: -161.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1854.844999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.844999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.844999 (E_RNA)
where:
Base-Base interactions energy: -1276.441
where: short stacking energy: -564.865
Base-Backbone interact. energy: -2.077
local terms energy: -576.326877
where:
bonds (distance) C4'-P energy: -68.439
bonds (distance) P-C4' energy: -111.544
flat angles C4'-P-C4' energy: -132.808
flat angles P-C4'-P energy: -89.645
tors. eta vs tors. theta energy: -173.891
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: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1761.145411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.145411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.145411 (E_RNA)
where:
Base-Base interactions energy: -1197.289
where: short stacking energy: -509.240
Base-Backbone interact. energy: -1.093
local terms energy: -562.763041
where:
bonds (distance) C4'-P energy: -105.106
bonds (distance) P-C4' energy: -115.882
flat angles C4'-P-C4' energy: -115.491
flat angles P-C4'-P energy: -73.566
tors. eta vs tors. theta energy: -152.718
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: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1720.121212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.121212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.121212 (E_RNA)
where:
Base-Base interactions energy: -1169.764
where: short stacking energy: -491.535
Base-Backbone interact. energy: -2.421
local terms energy: -547.935845
where:
bonds (distance) C4'-P energy: -107.632
bonds (distance) P-C4' energy: -101.203
flat angles C4'-P-C4' energy: -120.417
flat angles P-C4'-P energy: -79.379
tors. eta vs tors. theta energy: -139.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1582.832487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.832487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.832487 (E_RNA)
where:
Base-Base interactions energy: -1087.761
where: short stacking energy: -468.953
Base-Backbone interact. energy: -0.145
local terms energy: -494.926237
where:
bonds (distance) C4'-P energy: -100.847
bonds (distance) P-C4' energy: -101.643
flat angles C4'-P-C4' energy: -97.625
flat angles P-C4'-P energy: -64.617
tors. eta vs tors. theta energy: -130.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1512.283534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.283534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.283534 (E_RNA)
where:
Base-Base interactions energy: -1003.139
where: short stacking energy: -433.645
Base-Backbone interact. energy: -1.418
local terms energy: -507.726954
where:
bonds (distance) C4'-P energy: -107.455
bonds (distance) P-C4' energy: -107.527
flat angles C4'-P-C4' energy: -96.773
flat angles P-C4'-P energy: -60.260
tors. eta vs tors. theta energy: -135.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1489.990470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.990470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.990470 (E_RNA)
where:
Base-Base interactions energy: -1048.653
where: short stacking energy: -448.831
Base-Backbone interact. energy: 1.892
local terms energy: -443.228773
where:
bonds (distance) C4'-P energy: -74.055
bonds (distance) P-C4' energy: -76.935
flat angles C4'-P-C4' energy: -103.870
flat angles P-C4'-P energy: -67.608
tors. eta vs tors. theta energy: -120.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1251.717941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.717941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.717941 (E_RNA)
where:
Base-Base interactions energy: -814.025
where: short stacking energy: -386.531
Base-Backbone interact. energy: -1.972
local terms energy: -435.720182
where:
bonds (distance) C4'-P energy: -93.677
bonds (distance) P-C4' energy: -78.069
flat angles C4'-P-C4' energy: -109.643
flat angles P-C4'-P energy: -55.105
tors. eta vs tors. theta energy: -99.227
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: 484
Temperature: 1.300000
Total energy: -895.571382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.571382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.571382 (E_RNA)
where:
Base-Base interactions energy: -549.380
where: short stacking energy: -257.539
Base-Backbone interact. energy: -0.980
local terms energy: -345.210871
where:
bonds (distance) C4'-P energy: -82.050
bonds (distance) P-C4' energy: -78.353
flat angles C4'-P-C4' energy: -74.669
flat angles P-C4'-P energy: -57.124
tors. eta vs tors. theta energy: -53.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -507.121388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.121388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.121388 (E_RNA)
where:
Base-Base interactions energy: -220.582
where: short stacking energy: -134.489
Base-Backbone interact. energy: -2.413
local terms energy: -284.126117
where:
bonds (distance) C4'-P energy: -97.649
bonds (distance) P-C4' energy: -72.442
flat angles C4'-P-C4' energy: -72.373
flat angles P-C4'-P energy: -48.135
tors. eta vs tors. theta energy: 6.473
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: 485
Temperature: 0.900000
Total energy: -1881.314061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.314061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.314061 (E_RNA)
where:
Base-Base interactions energy: -1292.494
where: short stacking energy: -580.026
Base-Backbone interact. energy: -4.420
local terms energy: -584.399307
where:
bonds (distance) C4'-P energy: -100.696
bonds (distance) P-C4' energy: -112.549
flat angles C4'-P-C4' energy: -118.658
flat angles P-C4'-P energy: -91.139
tors. eta vs tors. theta energy: -161.358
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: 485
Temperature: 0.950000
Total energy: -1868.243566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.243566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.243566 (E_RNA)
where:
Base-Base interactions energy: -1294.695
where: short stacking energy: -551.762
Base-Backbone interact. energy: -3.132
local terms energy: -570.415895
where:
bonds (distance) C4'-P energy: -90.677
bonds (distance) P-C4' energy: -112.800
flat angles C4'-P-C4' energy: -121.884
flat angles P-C4'-P energy: -80.572
tors. eta vs tors. theta energy: -164.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1752.872317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.872317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.872317 (E_RNA)
where:
Base-Base interactions energy: -1196.013
where: short stacking energy: -526.796
Base-Backbone interact. energy: -1.333
local terms energy: -555.526060
where:
bonds (distance) C4'-P energy: -99.999
bonds (distance) P-C4' energy: -107.945
flat angles C4'-P-C4' energy: -117.229
flat angles P-C4'-P energy: -83.286
tors. eta vs tors. theta energy: -147.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1688.858495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.858495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.858495 (E_RNA)
where:
Base-Base interactions energy: -1156.823
where: short stacking energy: -467.310
Base-Backbone interact. energy: -3.505
local terms energy: -528.530758
where:
bonds (distance) C4'-P energy: -102.007
bonds (distance) P-C4' energy: -96.486
flat angles C4'-P-C4' energy: -112.636
flat angles P-C4'-P energy: -77.912
tors. eta vs tors. theta energy: -139.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1573.928334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.928334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.928334 (E_RNA)
where:
Base-Base interactions energy: -1069.806
where: short stacking energy: -471.302
Base-Backbone interact. energy: 9.818
local terms energy: -513.940286
where:
bonds (distance) C4'-P energy: -103.883
bonds (distance) P-C4' energy: -100.422
flat angles C4'-P-C4' energy: -105.329
flat angles P-C4'-P energy: -76.546
tors. eta vs tors. theta energy: -127.759
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: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1505.551450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.551450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.551450 (E_RNA)
where:
Base-Base interactions energy: -1027.688
where: short stacking energy: -448.935
Base-Backbone interact. energy: -0.739
local terms energy: -477.123725
where:
bonds (distance) C4'-P energy: -93.157
bonds (distance) P-C4' energy: -93.130
flat angles C4'-P-C4' energy: -103.977
flat angles P-C4'-P energy: -65.809
tors. eta vs tors. theta energy: -121.050
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: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1468.982678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.982678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.982678 (E_RNA)
where:
Base-Base interactions energy: -996.643
where: short stacking energy: -429.019
Base-Backbone interact. energy: -3.415
local terms energy: -468.924012
where:
bonds (distance) C4'-P energy: -89.178
bonds (distance) P-C4' energy: -77.826
flat angles C4'-P-C4' energy: -102.759
flat angles P-C4'-P energy: -85.729
tors. eta vs tors. theta energy: -113.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1214.824509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.824509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.824509 (E_RNA)
where:
Base-Base interactions energy: -750.106
where: short stacking energy: -335.556
Base-Backbone interact. energy: -1.182
local terms energy: -463.536204
where:
bonds (distance) C4'-P energy: -111.806
bonds (distance) P-C4' energy: -105.627
flat angles C4'-P-C4' energy: -95.550
flat angles P-C4'-P energy: -62.922
tors. eta vs tors. theta energy: -87.631
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: 485
Temperature: 1.300000
Total energy: -916.223958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.223958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.223958 (E_RNA)
where:
Base-Base interactions energy: -555.971
where: short stacking energy: -264.574
Base-Backbone interact. energy: 0.185
local terms energy: -360.437984
where:
bonds (distance) C4'-P energy: -77.554
bonds (distance) P-C4' energy: -82.908
flat angles C4'-P-C4' energy: -103.394
flat angles P-C4'-P energy: -52.252
tors. eta vs tors. theta energy: -44.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -515.144722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.144722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.144722 (E_RNA)
where:
Base-Base interactions energy: -244.601
where: short stacking energy: -169.079
Base-Backbone interact. energy: 4.845
local terms energy: -275.389003
where:
bonds (distance) C4'-P energy: -72.299
bonds (distance) P-C4' energy: -102.352
flat angles C4'-P-C4' energy: -51.753
flat angles P-C4'-P energy: -49.022
tors. eta vs tors. theta energy: 0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1904.044474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.044474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.044474 (E_RNA)
where:
Base-Base interactions energy: -1292.439
where: short stacking energy: -556.514
Base-Backbone interact. energy: -2.490
local terms energy: -609.114730
where:
bonds (distance) C4'-P energy: -112.610
bonds (distance) P-C4' energy: -107.043
flat angles C4'-P-C4' energy: -124.829
flat angles P-C4'-P energy: -87.067
tors. eta vs tors. theta energy: -177.565
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: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1874.974644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.974644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.974644 (E_RNA)
where:
Base-Base interactions energy: -1290.347
where: short stacking energy: -541.078
Base-Backbone interact. energy: -0.886
local terms energy: -583.741508
where:
bonds (distance) C4'-P energy: -117.926
bonds (distance) P-C4' energy: -106.188
flat angles C4'-P-C4' energy: -119.025
flat angles P-C4'-P energy: -76.921
tors. eta vs tors. theta energy: -163.682
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: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1770.356873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.356873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.356873 (E_RNA)
where:
Base-Base interactions energy: -1204.091
where: short stacking energy: -542.761
Base-Backbone interact. energy: -1.805
local terms energy: -564.460875
where:
bonds (distance) C4'-P energy: -110.888
bonds (distance) P-C4' energy: -110.374
flat angles C4'-P-C4' energy: -115.568
flat angles P-C4'-P energy: -76.342
tors. eta vs tors. theta energy: -151.290
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: 486
Temperature: 1.050000
Total energy: -1659.032227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.032227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.032227 (E_RNA)
where:
Base-Base interactions energy: -1156.551
where: short stacking energy: -497.063
Base-Backbone interact. energy: -2.550
local terms energy: -499.931743
where:
bonds (distance) C4'-P energy: -90.577
bonds (distance) P-C4' energy: -96.431
flat angles C4'-P-C4' energy: -108.270
flat angles P-C4'-P energy: -75.421
tors. eta vs tors. theta energy: -129.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1624.380629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.380629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.380629 (E_RNA)
where:
Base-Base interactions energy: -1130.656
where: short stacking energy: -485.887
Base-Backbone interact. energy: -1.191
local terms energy: -492.533363
where:
bonds (distance) C4'-P energy: -97.814
bonds (distance) P-C4' energy: -87.661
flat angles C4'-P-C4' energy: -102.018
flat angles P-C4'-P energy: -73.426
tors. eta vs tors. theta energy: -131.614
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: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1561.503893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.503893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.503893 (E_RNA)
where:
Base-Base interactions energy: -1049.422
where: short stacking energy: -450.579
Base-Backbone interact. energy: -2.866
local terms energy: -509.215447
where:
bonds (distance) C4'-P energy: -93.270
bonds (distance) P-C4' energy: -104.093
flat angles C4'-P-C4' energy: -107.947
flat angles P-C4'-P energy: -67.886
tors. eta vs tors. theta energy: -136.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1511.052148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.052148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.052148 (E_RNA)
where:
Base-Base interactions energy: -1050.267
where: short stacking energy: -446.992
Base-Backbone interact. energy: 4.140
local terms energy: -464.925980
where:
bonds (distance) C4'-P energy: -78.070
bonds (distance) P-C4' energy: -98.762
flat angles C4'-P-C4' energy: -105.048
flat angles P-C4'-P energy: -62.482
tors. eta vs tors. theta energy: -120.564
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: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1189.157646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.157646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.157646 (E_RNA)
where:
Base-Base interactions energy: -766.851
where: short stacking energy: -332.925
Base-Backbone interact. energy: -0.619
local terms energy: -421.688220
where:
bonds (distance) C4'-P energy: -82.588
bonds (distance) P-C4' energy: -87.809
flat angles C4'-P-C4' energy: -108.199
flat angles P-C4'-P energy: -60.231
tors. eta vs tors. theta energy: -82.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -872.418619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.418619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.418619 (E_RNA)
where:
Base-Base interactions energy: -527.996
where: short stacking energy: -254.667
Base-Backbone interact. energy: -1.214
local terms energy: -343.208129
where:
bonds (distance) C4'-P energy: -78.182
bonds (distance) P-C4' energy: -89.146
flat angles C4'-P-C4' energy: -74.206
flat angles P-C4'-P energy: -67.361
tors. eta vs tors. theta energy: -34.313
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: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -488.303738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.303738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.303738 (E_RNA)
where:
Base-Base interactions energy: -206.965
where: short stacking energy: -122.993
Base-Backbone interact. energy: 1.554
local terms energy: -282.892468
where:
bonds (distance) C4'-P energy: -94.100
bonds (distance) P-C4' energy: -88.419
flat angles C4'-P-C4' energy: -67.286
flat angles P-C4'-P energy: -43.536
tors. eta vs tors. theta energy: 10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1908.472693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.472693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.472693 (E_RNA)
where:
Base-Base interactions energy: -1287.121
where: short stacking energy: -578.311
Base-Backbone interact. energy: -3.074
local terms energy: -618.277408
where:
bonds (distance) C4'-P energy: -95.426
bonds (distance) P-C4' energy: -115.116
flat angles C4'-P-C4' energy: -126.295
flat angles P-C4'-P energy: -96.864
tors. eta vs tors. theta energy: -184.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1907.732437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.732437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.732437 (E_RNA)
where:
Base-Base interactions energy: -1324.584
where: short stacking energy: -564.376
Base-Backbone interact. energy: -1.321
local terms energy: -581.827576
where:
bonds (distance) C4'-P energy: -113.439
bonds (distance) P-C4' energy: -107.947
flat angles C4'-P-C4' energy: -116.328
flat angles P-C4'-P energy: -82.449
tors. eta vs tors. theta energy: -161.665
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: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1759.244812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.244812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.244812 (E_RNA)
where:
Base-Base interactions energy: -1198.600
where: short stacking energy: -542.906
Base-Backbone interact. energy: -0.403
local terms energy: -560.241389
where:
bonds (distance) C4'-P energy: -100.208
bonds (distance) P-C4' energy: -107.532
flat angles C4'-P-C4' energy: -116.338
flat angles P-C4'-P energy: -80.520
tors. eta vs tors. theta energy: -155.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1648.274470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.274470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.274470 (E_RNA)
where:
Base-Base interactions energy: -1142.041
where: short stacking energy: -519.874
Base-Backbone interact. energy: -0.305
local terms energy: -505.928037
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -87.054
flat angles C4'-P-C4' energy: -115.565
flat angles P-C4'-P energy: -71.613
tors. eta vs tors. theta energy: -137.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1636.445239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.445239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.445239 (E_RNA)
where:
Base-Base interactions energy: -1113.458
where: short stacking energy: -481.353
Base-Backbone interact. energy: -1.958
local terms energy: -521.029182
where:
bonds (distance) C4'-P energy: -96.779
bonds (distance) P-C4' energy: -88.988
flat angles C4'-P-C4' energy: -117.942
flat angles P-C4'-P energy: -74.956
tors. eta vs tors. theta energy: -142.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1499.454244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.454244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.454244 (E_RNA)
where:
Base-Base interactions energy: -1018.775
where: short stacking energy: -410.879
Base-Backbone interact. energy: 1.361
local terms energy: -482.040418
where:
bonds (distance) C4'-P energy: -95.272
bonds (distance) P-C4' energy: -94.661
flat angles C4'-P-C4' energy: -97.513
flat angles P-C4'-P energy: -71.598
tors. eta vs tors. theta energy: -122.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1494.751535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.751535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.751535 (E_RNA)
where:
Base-Base interactions energy: -1037.982
where: short stacking energy: -450.638
Base-Backbone interact. energy: -1.234
local terms energy: -455.535243
where:
bonds (distance) C4'-P energy: -71.281
bonds (distance) P-C4' energy: -86.881
flat angles C4'-P-C4' energy: -103.656
flat angles P-C4'-P energy: -73.806
tors. eta vs tors. theta energy: -119.910
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: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1183.684579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.684579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.684579 (E_RNA)
where:
Base-Base interactions energy: -758.061
where: short stacking energy: -331.905
Base-Backbone interact. energy: -1.789
local terms energy: -423.834585
where:
bonds (distance) C4'-P energy: -83.074
bonds (distance) P-C4' energy: -90.737
flat angles C4'-P-C4' energy: -110.409
flat angles P-C4'-P energy: -56.788
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: 9, replica: 9
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -918.019257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.019257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.019257 (E_RNA)
where:
Base-Base interactions energy: -557.636
where: short stacking energy: -263.070
Base-Backbone interact. energy: -3.366
local terms energy: -357.017870
where:
bonds (distance) C4'-P energy: -83.738
bonds (distance) P-C4' energy: -88.150
flat angles C4'-P-C4' energy: -89.441
flat angles P-C4'-P energy: -58.460
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: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -538.886765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.886765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.886765 (E_RNA)
where:
Base-Base interactions energy: -228.219
where: short stacking energy: -176.445
Base-Backbone interact. energy: -1.922
local terms energy: -308.745800
where:
bonds (distance) C4'-P energy: -82.754
bonds (distance) P-C4' energy: -93.504
flat angles C4'-P-C4' energy: -72.517
flat angles P-C4'-P energy: -48.090
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1900.593860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.593860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.593860 (E_RNA)
where:
Base-Base interactions energy: -1264.628
where: short stacking energy: -587.202
Base-Backbone interact. energy: -4.082
local terms energy: -631.883344
where:
bonds (distance) C4'-P energy: -115.463
bonds (distance) P-C4' energy: -117.461
flat angles C4'-P-C4' energy: -135.389
flat angles P-C4'-P energy: -85.546
tors. eta vs tors. theta energy: -178.024
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: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1907.350641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.350641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.350641 (E_RNA)
where:
Base-Base interactions energy: -1313.599
where: short stacking energy: -563.518
Base-Backbone interact. energy: -3.905
local terms energy: -589.846939
where:
bonds (distance) C4'-P energy: -111.266
bonds (distance) P-C4' energy: -104.416
flat angles C4'-P-C4' energy: -123.119
flat angles P-C4'-P energy: -86.079
tors. eta vs tors. theta energy: -164.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1783.542454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.542454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.542454 (E_RNA)
where:
Base-Base interactions energy: -1206.378
where: short stacking energy: -535.788
Base-Backbone interact. energy: 0.593
local terms energy: -577.756960
where:
bonds (distance) C4'-P energy: -96.109
bonds (distance) P-C4' energy: -104.990
flat angles C4'-P-C4' energy: -123.859
flat angles P-C4'-P energy: -85.493
tors. eta vs tors. theta energy: -167.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1665.960426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.960426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.960426 (E_RNA)
where:
Base-Base interactions energy: -1145.593
where: short stacking energy: -512.069
Base-Backbone interact. energy: -1.030
local terms energy: -519.337542
where:
bonds (distance) C4'-P energy: -101.782
bonds (distance) P-C4' energy: -99.177
flat angles C4'-P-C4' energy: -117.528
flat angles P-C4'-P energy: -66.363
tors. eta vs tors. theta energy: -134.488
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: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1646.765693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.765693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.765693 (E_RNA)
where:
Base-Base interactions energy: -1124.091
where: short stacking energy: -451.821
Base-Backbone interact. energy: -2.097
local terms energy: -520.577900
where:
bonds (distance) C4'-P energy: -84.596
bonds (distance) P-C4' energy: -100.842
flat angles C4'-P-C4' energy: -114.874
flat angles P-C4'-P energy: -86.673
tors. eta vs tors. theta energy: -133.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1521.058681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.058681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.058681 (E_RNA)
where:
Base-Base interactions energy: -1017.202
where: short stacking energy: -423.103
Base-Backbone interact. energy: -0.500
local terms energy: -503.357444
where:
bonds (distance) C4'-P energy: -96.215
bonds (distance) P-C4' energy: -111.234
flat angles C4'-P-C4' energy: -108.242
flat angles P-C4'-P energy: -66.610
tors. eta vs tors. theta energy: -121.056
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: 488
Temperature: 1.200000
Total energy: -1469.743340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.743340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.743340 (E_RNA)
where:
Base-Base interactions energy: -1030.993
where: short stacking energy: -424.284
Base-Backbone interact. energy: 0.478
local terms energy: -439.228715
where:
bonds (distance) C4'-P energy: -71.244
bonds (distance) P-C4' energy: -78.279
flat angles C4'-P-C4' energy: -97.907
flat angles P-C4'-P energy: -73.275
tors. eta vs tors. theta energy: -118.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1181.066576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.066576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.066576 (E_RNA)
where:
Base-Base interactions energy: -760.667
where: short stacking energy: -336.906
Base-Backbone interact. energy: 5.680
local terms energy: -426.080128
where:
bonds (distance) C4'-P energy: -85.604
bonds (distance) P-C4' energy: -98.932
flat angles C4'-P-C4' energy: -108.078
flat angles P-C4'-P energy: -63.156
tors. eta vs tors. theta energy: -70.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -933.349348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.349348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.349348 (E_RNA)
where:
Base-Base interactions energy: -595.922
where: short stacking energy: -259.368
Base-Backbone interact. energy: 3.738
local terms energy: -341.165825
where:
bonds (distance) C4'-P energy: -85.466
bonds (distance) P-C4' energy: -95.751
flat angles C4'-P-C4' energy: -71.415
flat angles P-C4'-P energy: -51.848
tors. eta vs tors. theta energy: -36.686
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: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -508.988428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.988428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.988428 (E_RNA)
where:
Base-Base interactions energy: -227.062
where: short stacking energy: -140.658
Base-Backbone interact. energy: -1.145
local terms energy: -280.781794
where:
bonds (distance) C4'-P energy: -81.393
bonds (distance) P-C4' energy: -81.133
flat angles C4'-P-C4' energy: -87.295
flat angles P-C4'-P energy: -45.957
tors. eta vs tors. theta energy: 14.997
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: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1880.541211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.541211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.541211 (E_RNA)
where:
Base-Base interactions energy: -1292.945
where: short stacking energy: -563.526
Base-Backbone interact. energy: -2.283
local terms energy: -585.313789
where:
bonds (distance) C4'-P energy: -102.456
bonds (distance) P-C4' energy: -111.747
flat angles C4'-P-C4' energy: -124.628
flat angles P-C4'-P energy: -79.994
tors. eta vs tors. theta energy: -166.489
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: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1846.164420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.164420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.164420 (E_RNA)
where:
Base-Base interactions energy: -1258.117
where: short stacking energy: -547.330
Base-Backbone interact. energy: -1.187
local terms energy: -586.860213
where:
bonds (distance) C4'-P energy: -100.373
bonds (distance) P-C4' energy: -114.950
flat angles C4'-P-C4' energy: -116.500
flat angles P-C4'-P energy: -82.115
tors. eta vs tors. theta energy: -172.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1823.742026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.742026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.742026 (E_RNA)
where:
Base-Base interactions energy: -1258.384
where: short stacking energy: -558.238
Base-Backbone interact. energy: -3.010
local terms energy: -562.347938
where:
bonds (distance) C4'-P energy: -103.003
bonds (distance) P-C4' energy: -100.334
flat angles C4'-P-C4' energy: -116.191
flat angles P-C4'-P energy: -73.334
tors. eta vs tors. theta energy: -169.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1671.823137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.823137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.823137 (E_RNA)
where:
Base-Base interactions energy: -1115.048
where: short stacking energy: -488.154
Base-Backbone interact. energy: -3.413
local terms energy: -553.362822
where:
bonds (distance) C4'-P energy: -114.833
bonds (distance) P-C4' energy: -104.900
flat angles C4'-P-C4' energy: -115.825
flat angles P-C4'-P energy: -75.816
tors. eta vs tors. theta energy: -141.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1635.981267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.981267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.981267 (E_RNA)
where:
Base-Base interactions energy: -1161.226
where: short stacking energy: -500.071
Base-Backbone interact. energy: 1.605
local terms energy: -476.359722
where:
bonds (distance) C4'-P energy: -81.710
bonds (distance) P-C4' energy: -87.690
flat angles C4'-P-C4' energy: -110.015
flat angles P-C4'-P energy: -55.083
tors. eta vs tors. theta energy: -141.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1551.715525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.715525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.715525 (E_RNA)
where:
Base-Base interactions energy: -1062.895
where: short stacking energy: -459.757
Base-Backbone interact. energy: 0.893
local terms energy: -489.713325
where:
bonds (distance) C4'-P energy: -100.220
bonds (distance) P-C4' energy: -91.498
flat angles C4'-P-C4' energy: -97.427
flat angles P-C4'-P energy: -63.203
tors. eta vs tors. theta energy: -137.365
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: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1492.385816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.385816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.385816 (E_RNA)
where:
Base-Base interactions energy: -1030.818
where: short stacking energy: -416.142
Base-Backbone interact. energy: -1.557
local terms energy: -460.011404
where:
bonds (distance) C4'-P energy: -92.187
bonds (distance) P-C4' energy: -75.049
flat angles C4'-P-C4' energy: -99.252
flat angles P-C4'-P energy: -64.235
tors. eta vs tors. theta energy: -129.288
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: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1128.223245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.223245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.223245 (E_RNA)
where:
Base-Base interactions energy: -758.521
where: short stacking energy: -335.186
Base-Backbone interact. energy: 3.726
local terms energy: -373.428431
where:
bonds (distance) C4'-P energy: -91.927
bonds (distance) P-C4' energy: -86.778
flat angles C4'-P-C4' energy: -69.535
flat angles P-C4'-P energy: -55.596
tors. eta vs tors. theta energy: -69.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -914.704897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.704897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.704897 (E_RNA)
where:
Base-Base interactions energy: -568.555
where: short stacking energy: -262.310
Base-Backbone interact. energy: 1.768
local terms energy: -347.918046
where:
bonds (distance) C4'-P energy: -84.787
bonds (distance) P-C4' energy: -94.691
flat angles C4'-P-C4' energy: -72.672
flat angles P-C4'-P energy: -52.530
tors. eta vs tors. theta energy: -43.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -519.434026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.434026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.434026 (E_RNA)
where:
Base-Base interactions energy: -223.202
where: short stacking energy: -127.376
Base-Backbone interact. energy: 1.912
local terms energy: -298.144423
where:
bonds (distance) C4'-P energy: -88.102
bonds (distance) P-C4' energy: -102.406
flat angles C4'-P-C4' energy: -75.175
flat angles P-C4'-P energy: -56.017
tors. eta vs tors. theta energy: 23.556
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: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1910.413886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.413886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.413886 (E_RNA)
where:
Base-Base interactions energy: -1288.159
where: short stacking energy: -569.261
Base-Backbone interact. energy: -2.308
local terms energy: -619.946582
where:
bonds (distance) C4'-P energy: -110.954
bonds (distance) P-C4' energy: -109.559
flat angles C4'-P-C4' energy: -131.807
flat angles P-C4'-P energy: -93.642
tors. eta vs tors. theta energy: -173.985
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: 490
Temperature: 0.950000
Total energy: -1817.308932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.308932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.308932 (E_RNA)
where:
Base-Base interactions energy: -1251.612
where: short stacking energy: -533.092
Base-Backbone interact. energy: -3.339
local terms energy: -562.358564
where:
bonds (distance) C4'-P energy: -104.465
bonds (distance) P-C4' energy: -96.204
flat angles C4'-P-C4' energy: -117.386
flat angles P-C4'-P energy: -86.168
tors. eta vs tors. theta energy: -158.136
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: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1829.034873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.034873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.034873 (E_RNA)
where:
Base-Base interactions energy: -1274.514
where: short stacking energy: -541.939
Base-Backbone interact. energy: -1.384
local terms energy: -553.136524
where:
bonds (distance) C4'-P energy: -96.297
bonds (distance) P-C4' energy: -93.659
flat angles C4'-P-C4' energy: -112.593
flat angles P-C4'-P energy: -90.181
tors. eta vs tors. theta energy: -160.407
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: 490
Temperature: 1.050000
Total energy: -1748.827411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.827411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.827411 (E_RNA)
where:
Base-Base interactions energy: -1189.609
where: short stacking energy: -527.083
Base-Backbone interact. energy: -0.802
local terms energy: -558.415519
where:
bonds (distance) C4'-P energy: -108.461
bonds (distance) P-C4' energy: -87.567
flat angles C4'-P-C4' energy: -121.663
flat angles P-C4'-P energy: -83.169
tors. eta vs tors. theta energy: -157.555
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: 490
Temperature: 1.100000
Total energy: -1657.526287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.526287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.526287 (E_RNA)
where:
Base-Base interactions energy: -1148.365
where: short stacking energy: -458.913
Base-Backbone interact. energy: -3.001
local terms energy: -506.159837
where:
bonds (distance) C4'-P energy: -84.563
bonds (distance) P-C4' energy: -98.810
flat angles C4'-P-C4' energy: -112.922
flat angles P-C4'-P energy: -77.355
tors. eta vs tors. theta energy: -132.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1531.837156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.837156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.837156 (E_RNA)
where:
Base-Base interactions energy: -1046.899
where: short stacking energy: -431.459
Base-Backbone interact. energy: -2.963
local terms energy: -481.975404
where:
bonds (distance) C4'-P energy: -96.604
bonds (distance) P-C4' energy: -86.182
flat angles C4'-P-C4' energy: -112.264
flat angles P-C4'-P energy: -69.564
tors. eta vs tors. theta energy: -117.362
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: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1512.392022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.392022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.392022 (E_RNA)
where:
Base-Base interactions energy: -1036.431
where: short stacking energy: -438.779
Base-Backbone interact. energy: -3.479
local terms energy: -472.482341
where:
bonds (distance) C4'-P energy: -86.026
bonds (distance) P-C4' energy: -94.242
flat angles C4'-P-C4' energy: -101.994
flat angles P-C4'-P energy: -70.123
tors. eta vs tors. theta energy: -120.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1165.245075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.245075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.245075 (E_RNA)
where:
Base-Base interactions energy: -781.464
where: short stacking energy: -328.851
Base-Backbone interact. energy: 0.918
local terms energy: -384.699162
where:
bonds (distance) C4'-P energy: -81.864
bonds (distance) P-C4' energy: -70.986
flat angles C4'-P-C4' energy: -91.795
flat angles P-C4'-P energy: -67.209
tors. eta vs tors. theta energy: -72.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -880.919184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.919184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.919184 (E_RNA)
where:
Base-Base interactions energy: -528.295
where: short stacking energy: -253.720
Base-Backbone interact. energy: 0.078
local terms energy: -352.702714
where:
bonds (distance) C4'-P energy: -93.368
bonds (distance) P-C4' energy: -67.483
flat angles C4'-P-C4' energy: -90.023
flat angles P-C4'-P energy: -58.709
tors. eta vs tors. theta energy: -43.119
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: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -513.549067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.549067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.549067 (E_RNA)
where:
Base-Base interactions energy: -213.058
where: short stacking energy: -128.074
Base-Backbone interact. energy: -0.249
local terms energy: -300.241704
where:
bonds (distance) C4'-P energy: -82.070
bonds (distance) P-C4' energy: -98.775
flat angles C4'-P-C4' energy: -77.044
flat angles P-C4'-P energy: -53.010
tors. eta vs tors. theta energy: 10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1898.369660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.369660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.369660 (E_RNA)
where:
Base-Base interactions energy: -1300.820
where: short stacking energy: -568.469
Base-Backbone interact. energy: -4.751
local terms energy: -592.798202
where:
bonds (distance) C4'-P energy: -106.822
bonds (distance) P-C4' energy: -108.565
flat angles C4'-P-C4' energy: -121.836
flat angles P-C4'-P energy: -83.380
tors. eta vs tors. theta energy: -172.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1854.265138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.265138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.265138 (E_RNA)
where:
Base-Base interactions energy: -1277.691
where: short stacking energy: -549.559
Base-Backbone interact. energy: -1.523
local terms energy: -575.050240
where:
bonds (distance) C4'-P energy: -95.798
bonds (distance) P-C4' energy: -111.316
flat angles C4'-P-C4' energy: -121.595
flat angles P-C4'-P energy: -88.869
tors. eta vs tors. theta energy: -157.472
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: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1777.903020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.903020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.903020 (E_RNA)
where:
Base-Base interactions energy: -1230.701
where: short stacking energy: -550.460
Base-Backbone interact. energy: -1.580
local terms energy: -545.621778
where:
bonds (distance) C4'-P energy: -99.062
bonds (distance) P-C4' energy: -93.487
flat angles C4'-P-C4' energy: -104.544
flat angles P-C4'-P energy: -77.379
tors. eta vs tors. theta energy: -171.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1676.054780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.054780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.054780 (E_RNA)
where:
Base-Base interactions energy: -1145.155
where: short stacking energy: -499.301
Base-Backbone interact. energy: -0.615
local terms energy: -530.284602
where:
bonds (distance) C4'-P energy: -100.563
bonds (distance) P-C4' energy: -96.152
flat angles C4'-P-C4' energy: -109.279
flat angles P-C4'-P energy: -77.879
tors. eta vs tors. theta energy: -146.413
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: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1656.644889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.644889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.644889 (E_RNA)
where:
Base-Base interactions energy: -1145.411
where: short stacking energy: -485.549
Base-Backbone interact. energy: -0.650
local terms energy: -510.583638
where:
bonds (distance) C4'-P energy: -105.421
bonds (distance) P-C4' energy: -93.101
flat angles C4'-P-C4' energy: -93.636
flat angles P-C4'-P energy: -75.191
tors. eta vs tors. theta energy: -143.235
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: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1511.264548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.264548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.264548 (E_RNA)
where:
Base-Base interactions energy: -1019.946
where: short stacking energy: -449.878
Base-Backbone interact. energy: -3.736
local terms energy: -487.583129
where:
bonds (distance) C4'-P energy: -85.338
bonds (distance) P-C4' energy: -97.088
flat angles C4'-P-C4' energy: -107.598
flat angles P-C4'-P energy: -79.728
tors. eta vs tors. theta energy: -117.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1478.581893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.581893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.581893 (E_RNA)
where:
Base-Base interactions energy: -1018.479
where: short stacking energy: -428.296
Base-Backbone interact. energy: -0.129
local terms energy: -459.973839
where:
bonds (distance) C4'-P energy: -86.429
bonds (distance) P-C4' energy: -100.627
flat angles C4'-P-C4' energy: -92.970
flat angles P-C4'-P energy: -62.405
tors. eta vs tors. theta energy: -117.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1229.528595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.528595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.528595 (E_RNA)
where:
Base-Base interactions energy: -812.822
where: short stacking energy: -344.329
Base-Backbone interact. energy: -2.308
local terms energy: -414.398178
where:
bonds (distance) C4'-P energy: -90.673
bonds (distance) P-C4' energy: -103.300
flat angles C4'-P-C4' energy: -84.768
flat angles P-C4'-P energy: -67.946
tors. eta vs tors. theta energy: -67.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -881.729146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.729146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.729146 (E_RNA)
where:
Base-Base interactions energy: -556.839
where: short stacking energy: -279.252
Base-Backbone interact. energy: 2.544
local terms energy: -327.433462
where:
bonds (distance) C4'-P energy: -87.454
bonds (distance) P-C4' energy: -99.995
flat angles C4'-P-C4' energy: -50.308
flat angles P-C4'-P energy: -48.398
tors. eta vs tors. theta energy: -41.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -489.501850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.501850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.501850 (E_RNA)
where:
Base-Base interactions energy: -204.450
where: short stacking energy: -116.823
Base-Backbone interact. energy: -1.987
local terms energy: -283.065320
where:
bonds (distance) C4'-P energy: -84.806
bonds (distance) P-C4' energy: -87.954
flat angles C4'-P-C4' energy: -67.110
flat angles P-C4'-P energy: -49.242
tors. eta vs tors. theta energy: 6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1941.323523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.323523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.323523 (E_RNA)
where:
Base-Base interactions energy: -1331.830
where: short stacking energy: -586.457
Base-Backbone interact. energy: -1.975
local terms energy: -607.517793
where:
bonds (distance) C4'-P energy: -103.465
bonds (distance) P-C4' energy: -116.790
flat angles C4'-P-C4' energy: -127.612
flat angles P-C4'-P energy: -89.415
tors. eta vs tors. theta energy: -170.236
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: 2, replica: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1860.301475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.301475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.301475 (E_RNA)
where:
Base-Base interactions energy: -1270.470
where: short stacking energy: -552.382
Base-Backbone interact. energy: -3.399
local terms energy: -586.432981
where:
bonds (distance) C4'-P energy: -111.484
bonds (distance) P-C4' energy: -104.860
flat angles C4'-P-C4' energy: -128.001
flat angles P-C4'-P energy: -71.089
tors. eta vs tors. theta energy: -171.000
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: 492
Temperature: 1.000000
Total energy: -1765.510630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.510630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.510630 (E_RNA)
where:
Base-Base interactions energy: -1238.322
where: short stacking energy: -533.874
Base-Backbone interact. energy: -0.971
local terms energy: -526.216644
where:
bonds (distance) C4'-P energy: -88.660
bonds (distance) P-C4' energy: -101.669
flat angles C4'-P-C4' energy: -118.100
flat angles P-C4'-P energy: -60.609
tors. eta vs tors. theta energy: -157.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1673.318676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.318676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.318676 (E_RNA)
where:
Base-Base interactions energy: -1143.050
where: short stacking energy: -518.477
Base-Backbone interact. energy: -1.423
local terms energy: -528.845707
where:
bonds (distance) C4'-P energy: -94.188
bonds (distance) P-C4' energy: -92.217
flat angles C4'-P-C4' energy: -120.480
flat angles P-C4'-P energy: -80.351
tors. eta vs tors. theta energy: -141.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1667.451027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.451027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.451027 (E_RNA)
where:
Base-Base interactions energy: -1150.838
where: short stacking energy: -479.311
Base-Backbone interact. energy: 0.411
local terms energy: -517.023770
where:
bonds (distance) C4'-P energy: -97.594
bonds (distance) P-C4' energy: -103.233
flat angles C4'-P-C4' energy: -106.673
flat angles P-C4'-P energy: -74.569
tors. eta vs tors. theta energy: -134.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1501.742166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.742166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.742166 (E_RNA)
where:
Base-Base interactions energy: -999.743
where: short stacking energy: -433.223
Base-Backbone interact. energy: -0.360
local terms energy: -501.639560
where:
bonds (distance) C4'-P energy: -93.777
bonds (distance) P-C4' energy: -101.137
flat angles C4'-P-C4' energy: -120.243
flat angles P-C4'-P energy: -70.535
tors. eta vs tors. theta energy: -115.947
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: 4
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1471.955965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.955965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.955965 (E_RNA)
where:
Base-Base interactions energy: -1004.889
where: short stacking energy: -419.099
Base-Backbone interact. energy: -1.422
local terms energy: -465.644761
where:
bonds (distance) C4'-P energy: -88.874
bonds (distance) P-C4' energy: -101.115
flat angles C4'-P-C4' energy: -104.757
flat angles P-C4'-P energy: -63.874
tors. eta vs tors. theta energy: -107.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1183.500997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.500997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.500997 (E_RNA)
where:
Base-Base interactions energy: -770.990
where: short stacking energy: -344.958
Base-Backbone interact. energy: -1.546
local terms energy: -410.965552
where:
bonds (distance) C4'-P energy: -81.288
bonds (distance) P-C4' energy: -105.339
flat angles C4'-P-C4' energy: -100.456
flat angles P-C4'-P energy: -51.330
tors. eta vs tors. theta energy: -72.553
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: 492
Temperature: 1.300000
Total energy: -848.662634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.662634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.662634 (E_RNA)
where:
Base-Base interactions energy: -508.244
where: short stacking energy: -232.875
Base-Backbone interact. energy: 1.909
local terms energy: -342.327351
where:
bonds (distance) C4'-P energy: -89.680
bonds (distance) P-C4' energy: -97.837
flat angles C4'-P-C4' energy: -75.240
flat angles P-C4'-P energy: -54.259
tors. eta vs tors. theta energy: -25.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -516.078689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.078689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.078689 (E_RNA)
where:
Base-Base interactions energy: -224.837
where: short stacking energy: -118.598
Base-Backbone interact. energy: 0.147
local terms energy: -291.388013
where:
bonds (distance) C4'-P energy: -82.728
bonds (distance) P-C4' energy: -89.333
flat angles C4'-P-C4' energy: -73.627
flat angles P-C4'-P energy: -51.621
tors. eta vs tors. theta energy: 5.922
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: 7
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1914.527491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.527491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.527491 (E_RNA)
where:
Base-Base interactions energy: -1331.492
where: short stacking energy: -578.903
Base-Backbone interact. energy: -3.996
local terms energy: -579.039909
where:
bonds (distance) C4'-P energy: -94.525
bonds (distance) P-C4' energy: -96.385
flat angles C4'-P-C4' energy: -128.376
flat angles P-C4'-P energy: -89.181
tors. eta vs tors. theta energy: -170.574
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: 2, replica: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1826.013805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.013805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.013805 (E_RNA)
where:
Base-Base interactions energy: -1248.204
where: short stacking energy: -532.923
Base-Backbone interact. energy: -2.267
local terms energy: -575.542420
where:
bonds (distance) C4'-P energy: -101.821
bonds (distance) P-C4' energy: -104.289
flat angles C4'-P-C4' energy: -120.952
flat angles P-C4'-P energy: -84.480
tors. eta vs tors. theta energy: -164.001
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: 493
Temperature: 1.000000
Total energy: -1772.070162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.070162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.070162 (E_RNA)
where:
Base-Base interactions energy: -1216.882
where: short stacking energy: -551.878
Base-Backbone interact. energy: -1.236
local terms energy: -553.952244
where:
bonds (distance) C4'-P energy: -109.314
bonds (distance) P-C4' energy: -96.051
flat angles C4'-P-C4' energy: -113.113
flat angles P-C4'-P energy: -72.481
tors. eta vs tors. theta energy: -162.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1672.151783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.151783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.151783 (E_RNA)
where:
Base-Base interactions energy: -1144.889
where: short stacking energy: -498.698
Base-Backbone interact. energy: -1.433
local terms energy: -525.829210
where:
bonds (distance) C4'-P energy: -93.091
bonds (distance) P-C4' energy: -102.871
flat angles C4'-P-C4' energy: -105.910
flat angles P-C4'-P energy: -72.977
tors. eta vs tors. theta energy: -150.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1620.564091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.564091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.564091 (E_RNA)
where:
Base-Base interactions energy: -1115.788
where: short stacking energy: -450.987
Base-Backbone interact. energy: -0.609
local terms energy: -504.167218
where:
bonds (distance) C4'-P energy: -84.136
bonds (distance) P-C4' energy: -104.682
flat angles C4'-P-C4' energy: -104.433
flat angles P-C4'-P energy: -80.469
tors. eta vs tors. theta energy: -130.447
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: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1585.134637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.134637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.134637 (E_RNA)
where:
Base-Base interactions energy: -1084.491
where: short stacking energy: -470.108
Base-Backbone interact. energy: -0.023
local terms energy: -500.620542
where:
bonds (distance) C4'-P energy: -92.859
bonds (distance) P-C4' energy: -102.257
flat angles C4'-P-C4' energy: -101.927
flat angles P-C4'-P energy: -76.176
tors. eta vs tors. theta energy: -127.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1474.806123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.806123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.806123 (E_RNA)
where:
Base-Base interactions energy: -996.685
where: short stacking energy: -440.973
Base-Backbone interact. energy: -2.126
local terms energy: -475.994372
where:
bonds (distance) C4'-P energy: -87.554
bonds (distance) P-C4' energy: -101.870
flat angles C4'-P-C4' energy: -98.406
flat angles P-C4'-P energy: -61.709
tors. eta vs tors. theta energy: -126.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1160.430270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.430270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.430270 (E_RNA)
where:
Base-Base interactions energy: -754.186
where: short stacking energy: -333.459
Base-Backbone interact. energy: -1.712
local terms energy: -404.531967
where:
bonds (distance) C4'-P energy: -83.780
bonds (distance) P-C4' energy: -87.060
flat angles C4'-P-C4' energy: -96.765
flat angles P-C4'-P energy: -66.981
tors. eta vs tors. theta energy: -69.946
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: 493
Temperature: 1.300000
Total energy: -897.799270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.799270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.799270 (E_RNA)
where:
Base-Base interactions energy: -553.210
where: short stacking energy: -251.012
Base-Backbone interact. energy: 8.592
local terms energy: -353.181675
where:
bonds (distance) C4'-P energy: -77.581
bonds (distance) P-C4' energy: -86.059
flat angles C4'-P-C4' energy: -105.582
flat angles P-C4'-P energy: -46.499
tors. eta vs tors. theta energy: -37.460
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: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -471.903377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.903377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.903377 (E_RNA)
where:
Base-Base interactions energy: -162.669
where: short stacking energy: -104.012
Base-Backbone interact. energy: 1.542
local terms energy: -310.775981
where:
bonds (distance) C4'-P energy: -92.968
bonds (distance) P-C4' energy: -93.419
flat angles C4'-P-C4' energy: -90.164
flat angles P-C4'-P energy: -53.068
tors. eta vs tors. theta energy: 18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1927.084947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.084947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.084947 (E_RNA)
where:
Base-Base interactions energy: -1312.667
where: short stacking energy: -555.027
Base-Backbone interact. energy: -3.651
local terms energy: -610.767498
where:
bonds (distance) C4'-P energy: -113.720
bonds (distance) P-C4' energy: -106.775
flat angles C4'-P-C4' energy: -127.202
flat angles P-C4'-P energy: -89.286
tors. eta vs tors. theta energy: -173.784
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: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1846.404621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.404621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.404621 (E_RNA)
where:
Base-Base interactions energy: -1293.376
where: short stacking energy: -548.250
Base-Backbone interact. energy: -0.099
local terms energy: -552.929487
where:
bonds (distance) C4'-P energy: -90.777
bonds (distance) P-C4' energy: -106.779
flat angles C4'-P-C4' energy: -128.453
flat angles P-C4'-P energy: -61.451
tors. eta vs tors. theta energy: -165.470
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: 494
Temperature: 1.000000
Total energy: -1764.183780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.183780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.183780 (E_RNA)
where:
Base-Base interactions energy: -1193.412
where: short stacking energy: -527.358
Base-Backbone interact. energy: -2.916
local terms energy: -567.856030
where:
bonds (distance) C4'-P energy: -99.216
bonds (distance) P-C4' energy: -100.270
flat angles C4'-P-C4' energy: -129.548
flat angles P-C4'-P energy: -79.003
tors. eta vs tors. theta energy: -159.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1730.868734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.868734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.868734 (E_RNA)
where:
Base-Base interactions energy: -1193.069
where: short stacking energy: -505.470
Base-Backbone interact. energy: -1.579
local terms energy: -536.220994
where:
bonds (distance) C4'-P energy: -112.726
bonds (distance) P-C4' energy: -95.531
flat angles C4'-P-C4' energy: -113.980
flat angles P-C4'-P energy: -62.673
tors. eta vs tors. theta energy: -151.311
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: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1650.701841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.701841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.701841 (E_RNA)
where:
Base-Base interactions energy: -1115.539
where: short stacking energy: -477.884
Base-Backbone interact. energy: -0.833
local terms energy: -534.329402
where:
bonds (distance) C4'-P energy: -109.978
bonds (distance) P-C4' energy: -104.776
flat angles C4'-P-C4' energy: -104.791
flat angles P-C4'-P energy: -68.599
tors. eta vs tors. theta energy: -146.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1574.546327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.546327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.546327 (E_RNA)
where:
Base-Base interactions energy: -1072.756
where: short stacking energy: -442.892
Base-Backbone interact. energy: -2.150
local terms energy: -499.640305
where:
bonds (distance) C4'-P energy: -85.867
bonds (distance) P-C4' energy: -101.988
flat angles C4'-P-C4' energy: -109.400
flat angles P-C4'-P energy: -72.481
tors. eta vs tors. theta energy: -129.904
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: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1440.181321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.181321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.181321 (E_RNA)
where:
Base-Base interactions energy: -987.378
where: short stacking energy: -418.007
Base-Backbone interact. energy: -2.051
local terms energy: -450.751999
where:
bonds (distance) C4'-P energy: -72.964
bonds (distance) P-C4' energy: -83.774
flat angles C4'-P-C4' energy: -103.212
flat angles P-C4'-P energy: -80.362
tors. eta vs tors. theta energy: -110.440
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: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1179.025693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.025693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.025693 (E_RNA)
where:
Base-Base interactions energy: -775.797
where: short stacking energy: -336.652
Base-Backbone interact. energy: -3.299
local terms energy: -399.929728
where:
bonds (distance) C4'-P energy: -88.336
bonds (distance) P-C4' energy: -89.258
flat angles C4'-P-C4' energy: -107.562
flat angles P-C4'-P energy: -49.061
tors. eta vs tors. theta energy: -65.713
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: 494
Temperature: 1.300000
Total energy: -908.965827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.965827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.965827 (E_RNA)
where:
Base-Base interactions energy: -536.782
where: short stacking energy: -251.616
Base-Backbone interact. energy: -0.119
local terms energy: -372.064806
where:
bonds (distance) C4'-P energy: -88.313
bonds (distance) P-C4' energy: -95.793
flat angles C4'-P-C4' energy: -105.524
flat angles P-C4'-P energy: -55.232
tors. eta vs tors. theta energy: -27.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -477.946857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.946857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.946857 (E_RNA)
where:
Base-Base interactions energy: -187.222
where: short stacking energy: -128.002
Base-Backbone interact. energy: 0.579
local terms energy: -291.304236
where:
bonds (distance) C4'-P energy: -70.574
bonds (distance) P-C4' energy: -101.287
flat angles C4'-P-C4' energy: -82.686
flat angles P-C4'-P energy: -44.683
tors. eta vs tors. theta energy: 7.926
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: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1925.373464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.373464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.373464 (E_RNA)
where:
Base-Base interactions energy: -1335.172
where: short stacking energy: -568.481
Base-Backbone interact. energy: 0.444
local terms energy: -590.645071
where:
bonds (distance) C4'-P energy: -106.267
bonds (distance) P-C4' energy: -107.913
flat angles C4'-P-C4' energy: -119.593
flat angles P-C4'-P energy: -83.748
tors. eta vs tors. theta energy: -173.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1841.214797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.214797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.214797 (E_RNA)
where:
Base-Base interactions energy: -1252.317
where: short stacking energy: -549.994
Base-Backbone interact. energy: -1.137
local terms energy: -587.761439
where:
bonds (distance) C4'-P energy: -106.123
bonds (distance) P-C4' energy: -112.980
flat angles C4'-P-C4' energy: -118.326
flat angles P-C4'-P energy: -88.715
tors. eta vs tors. theta energy: -161.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1736.587472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.587472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.587472 (E_RNA)
where:
Base-Base interactions energy: -1176.376
where: short stacking energy: -524.261
Base-Backbone interact. energy: -3.570
local terms energy: -556.641326
where:
bonds (distance) C4'-P energy: -87.483
bonds (distance) P-C4' energy: -105.775
flat angles C4'-P-C4' energy: -124.492
flat angles P-C4'-P energy: -84.162
tors. eta vs tors. theta energy: -154.730
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: 10
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1756.617412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.617412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.617412 (E_RNA)
where:
Base-Base interactions energy: -1202.412
where: short stacking energy: -525.188
Base-Backbone interact. energy: -0.017
local terms energy: -554.187765
where:
bonds (distance) C4'-P energy: -97.239
bonds (distance) P-C4' energy: -111.944
flat angles C4'-P-C4' energy: -123.595
flat angles P-C4'-P energy: -67.858
tors. eta vs tors. theta energy: -153.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1631.699510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.699510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.699510 (E_RNA)
where:
Base-Base interactions energy: -1106.147
where: short stacking energy: -463.281
Base-Backbone interact. energy: -0.407
local terms energy: -525.145014
where:
bonds (distance) C4'-P energy: -109.159
bonds (distance) P-C4' energy: -108.677
flat angles C4'-P-C4' energy: -106.286
flat angles P-C4'-P energy: -72.887
tors. eta vs tors. theta energy: -128.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1586.979470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.979470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.979470 (E_RNA)
where:
Base-Base interactions energy: -1098.565
where: short stacking energy: -468.694
Base-Backbone interact. energy: 1.259
local terms energy: -489.673766
where:
bonds (distance) C4'-P energy: -85.391
bonds (distance) P-C4' energy: -107.315
flat angles C4'-P-C4' energy: -100.962
flat angles P-C4'-P energy: -62.237
tors. eta vs tors. theta energy: -133.769
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: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1490.340376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.340376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.340376 (E_RNA)
where:
Base-Base interactions energy: -1020.627
where: short stacking energy: -427.669
Base-Backbone interact. energy: -1.507
local terms energy: -468.205910
where:
bonds (distance) C4'-P energy: -89.931
bonds (distance) P-C4' energy: -89.845
flat angles C4'-P-C4' energy: -110.292
flat angles P-C4'-P energy: -63.436
tors. eta vs tors. theta energy: -114.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1213.950371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.950371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.950371 (E_RNA)
where:
Base-Base interactions energy: -795.217
where: short stacking energy: -318.276
Base-Backbone interact. energy: -1.253
local terms energy: -417.480019
where:
bonds (distance) C4'-P energy: -91.608
bonds (distance) P-C4' energy: -99.504
flat angles C4'-P-C4' energy: -104.009
flat angles P-C4'-P energy: -45.017
tors. eta vs tors. theta energy: -77.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -960.249718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.249718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.249718 (E_RNA)
where:
Base-Base interactions energy: -578.697
where: short stacking energy: -253.867
Base-Backbone interact. energy: 0.825
local terms energy: -382.377745
where:
bonds (distance) C4'-P energy: -91.103
bonds (distance) P-C4' energy: -114.300
flat angles C4'-P-C4' energy: -90.523
flat angles P-C4'-P energy: -44.795
tors. eta vs tors. theta energy: -41.656
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: 10, replica: 8
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -468.235037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.235037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.235037 (E_RNA)
where:
Base-Base interactions energy: -200.593
where: short stacking energy: -133.737
Base-Backbone interact. energy: 6.252
local terms energy: -273.894197
where:
bonds (distance) C4'-P energy: -83.654
bonds (distance) P-C4' energy: -98.369
flat angles C4'-P-C4' energy: -62.943
flat angles P-C4'-P energy: -35.703
tors. eta vs tors. theta energy: 6.775
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)
out arg RESULTS//1/D1_denv2_RNAcomposer-2a080abf_01
DONE
DONE
DONE
DONE
DONE
DONE