SimRNA (c) 2009-2024 Genesilico, ver. 3.33
PDB
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/Corn-f35d5abb/inputs/struct.pdb
number of recognized chains: 1
chain 'I' contains: 156 residues
chain 'I' 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 I contains 156 nucleotides
atom position constraints swiched ON
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: 785
n_atoms_counter: 785
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 156.000000 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/Corn-f35d5abb/inputs/struct.pdb
number of recognized chains: 1
chain 'I' contains: 156 residues
chain 'I' 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 I contains 156 nucleotides
atom position constraints swiched ON
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: 785
n_atoms_counter: 785
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 156.000000 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/Corn-f35d5abb/inputs/struct.pdb
number of recognized chains: 1
chain 'I' contains: 156 residues
chain 'I' 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 I contains 156 nucleotides
atom position constraints swiched ON
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: 785
n_atoms_counter: 785
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 156.000000 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/Corn-f35d5abb/inputs/struct.pdb
number of recognized chains: 1
chain 'I' contains: 156 residues
chain 'I' 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 I contains 156 nucleotides
atom position constraints swiched ON
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: 785
n_atoms_counter: 785
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 156.000000 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/Corn-f35d5abb/inputs/struct.pdb
number of recognized chains: 1
chain 'I' contains: 156 residues
chain 'I' 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 I contains 156 nucleotides
atom position constraints swiched ON
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: 785
n_atoms_counter: 785
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 156.000000 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/Corn-f35d5abb/inputs/struct.pdb
number of recognized chains: 1
chain 'I' contains: 156 residues
chain 'I' 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 I contains 156 nucleotides
atom position constraints swiched ON
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: 785
n_atoms_counter: 785
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 156.000000 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/Corn-f35d5abb/inputs/struct.pdb
number of recognized chains: 1
chain 'I' contains: 156 residues
chain 'I' 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 I contains 156 nucleotides
atom position constraints swiched ON
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: 785
n_atoms_counter: 785
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 156.000000 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/Corn-f35d5abb/inputs/struct.pdb
number of recognized chains: 1
chain 'I' contains: 156 residues
chain 'I' 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 I contains 156 nucleotides
atom position constraints swiched ON
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: 785
n_atoms_counter: 785
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 156.000000 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/Corn-f35d5abb/inputs/struct.pdb
number of recognized chains: 1
chain 'I' contains: 156 residues
chain 'I' 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 I contains 156 nucleotides
atom position constraints swiched ON
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: 785
n_atoms_counter: 785
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 156.000000 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/Corn-f35d5abb/inputs/struct.pdb
number of recognized chains: 1
chain 'I' contains: 156 residues
chain 'I' 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 I contains 156 nucleotides
atom position constraints swiched ON
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: 785
n_atoms_counter: 785
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 156.000000 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: -1643.623895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.623895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.623895 (E_RNA)
where:
Base-Base interactions energy: -1098.667
where: short stacking energy: -471.073
Base-Backbone interact. energy: 9.221
local terms energy: -554.177544
where:
bonds (distance) C4'-P energy: -120.133
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -114.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -1643.623895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.623895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.623895 (E_RNA)
where:
Base-Base interactions energy: -1098.667
where: short stacking energy: -471.073
Base-Backbone interact. energy: 9.221
local terms energy: -554.177544
where:
bonds (distance) C4'-P energy: -120.133
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -114.469
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: 1
Temperature: 1.000000
Total energy: -1643.623895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.623895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.623895 (E_RNA)
where:
Base-Base interactions energy: -1098.667
where: short stacking energy: -471.073
Base-Backbone interact. energy: 9.221
local terms energy: -554.177544
where:
bonds (distance) C4'-P energy: -120.133
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -114.469
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -1643.623895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.623895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.623895 (E_RNA)
where:
Base-Base interactions energy: -1098.667
where: short stacking energy: -471.073
Base-Backbone interact. energy: 9.221
local terms energy: -554.177544
where:
bonds (distance) C4'-P energy: -120.133
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -114.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -1643.623895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.623895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.623895 (E_RNA)
where:
Base-Base interactions energy: -1098.667
where: short stacking energy: -471.073
Base-Backbone interact. energy: 9.221
local terms energy: -554.177544
where:
bonds (distance) C4'-P energy: -120.133
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -114.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -1643.623895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.623895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.623895 (E_RNA)
where:
Base-Base interactions energy: -1098.667
where: short stacking energy: -471.073
Base-Backbone interact. energy: 9.221
local terms energy: -554.177544
where:
bonds (distance) C4'-P energy: -120.133
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -114.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -1643.623895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.623895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.623895 (E_RNA)
where:
Base-Base interactions energy: -1098.667
where: short stacking energy: -471.073
Base-Backbone interact. energy: 9.221
local terms energy: -554.177544
where:
bonds (distance) C4'-P energy: -120.133
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -114.469
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -1643.623895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.623895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.623895 (E_RNA)
where:
Base-Base interactions energy: -1098.667
where: short stacking energy: -471.073
Base-Backbone interact. energy: 9.221
local terms energy: -554.177544
where:
bonds (distance) C4'-P energy: -120.133
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -114.469
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: 1
Temperature: 1.300000
Total energy: -1643.623895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.623895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.623895 (E_RNA)
where:
Base-Base interactions energy: -1098.667
where: short stacking energy: -471.073
Base-Backbone interact. energy: 9.221
local terms energy: -554.177544
where:
bonds (distance) C4'-P energy: -120.133
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -114.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -1643.623895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.623895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.623895 (E_RNA)
where:
Base-Base interactions energy: -1098.667
where: short stacking energy: -471.073
Base-Backbone interact. energy: 9.221
local terms energy: -554.177544
where:
bonds (distance) C4'-P energy: -120.133
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -114.469
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1642.375167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.375167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.375167 (E_RNA)
where:
Base-Base interactions energy: -1099.076
where: short stacking energy: -471.221
Base-Backbone interact. energy: 7.761
local terms energy: -551.060169
where:
bonds (distance) C4'-P energy: -120.398
bonds (distance) P-C4' energy: -133.914
flat angles C4'-P-C4' energy: -102.562
flat angles P-C4'-P energy: -79.686
tors. eta vs tors. theta energy: -114.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1646.426738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.426738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.426738 (E_RNA)
where:
Base-Base interactions energy: -1099.280
where: short stacking energy: -470.805
Base-Backbone interact. energy: 4.950
local terms energy: -552.096439
where:
bonds (distance) C4'-P energy: -120.459
bonds (distance) P-C4' energy: -127.691
flat angles C4'-P-C4' energy: -107.281
flat angles P-C4'-P energy: -79.678
tors. eta vs tors. theta energy: -116.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1642.336498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.336498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.336498 (E_RNA)
where:
Base-Base interactions energy: -1099.728
where: short stacking energy: -467.881
Base-Backbone interact. energy: 8.688
local terms energy: -551.296915
where:
bonds (distance) C4'-P energy: -119.095
bonds (distance) P-C4' energy: -130.472
flat angles C4'-P-C4' energy: -106.994
flat angles P-C4'-P energy: -79.640
tors. eta vs tors. theta energy: -115.096
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1644.465926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.465926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.465926 (E_RNA)
where:
Base-Base interactions energy: -1097.473
where: short stacking energy: -467.736
Base-Backbone interact. energy: 3.800
local terms energy: -550.793350
where:
bonds (distance) C4'-P energy: -123.518
bonds (distance) P-C4' energy: -125.280
flat angles C4'-P-C4' energy: -105.023
flat angles P-C4'-P energy: -79.663
tors. eta vs tors. theta energy: -117.309
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1640.845883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.845883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.845883 (E_RNA)
where:
Base-Base interactions energy: -1099.342
where: short stacking energy: -470.002
Base-Backbone interact. energy: 9.248
local terms energy: -550.752036
where:
bonds (distance) C4'-P energy: -118.808
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -102.092
flat angles P-C4'-P energy: -79.670
tors. eta vs tors. theta energy: -114.698
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1640.529993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.529993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.529993 (E_RNA)
where:
Base-Base interactions energy: -1099.218
where: short stacking energy: -470.001
Base-Backbone interact. energy: 9.249
local terms energy: -550.560779
where:
bonds (distance) C4'-P energy: -118.808
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -102.269
flat angles P-C4'-P energy: -79.302
tors. eta vs tors. theta energy: -114.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1640.552683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.552683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.552683 (E_RNA)
where:
Base-Base interactions energy: -1099.212
where: short stacking energy: -469.999
Base-Backbone interact. energy: 9.250
local terms energy: -550.590972
where:
bonds (distance) C4'-P energy: -118.808
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -102.269
flat angles P-C4'-P energy: -79.302
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -1640.395456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.395456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.395456 (E_RNA)
where:
Base-Base interactions energy: -1099.205
where: short stacking energy: -469.998
Base-Backbone interact. energy: 9.251
local terms energy: -550.441452
where:
bonds (distance) C4'-P energy: -118.808
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -101.927
flat angles P-C4'-P energy: -79.302
tors. eta vs tors. theta energy: -114.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -1640.360225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.360225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.360225 (E_RNA)
where:
Base-Base interactions energy: -1096.303
where: short stacking energy: -470.521
Base-Backbone interact. energy: 9.221
local terms energy: -553.278144
where:
bonds (distance) C4'-P energy: -119.661
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -103.660
flat angles P-C4'-P energy: -80.068
tors. eta vs tors. theta energy: -114.405
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -1640.353484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.353484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.353484 (E_RNA)
where:
Base-Base interactions energy: -1096.296
where: short stacking energy: -470.520
Base-Backbone interact. energy: 9.221
local terms energy: -553.278144
where:
bonds (distance) C4'-P energy: -119.661
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -103.660
flat angles P-C4'-P energy: -80.068
tors. eta vs tors. theta energy: -114.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1642.594266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.594266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.594266 (E_RNA)
where:
Base-Base interactions energy: -1126.642
where: short stacking energy: -477.142
Base-Backbone interact. energy: -3.066
local terms energy: -512.885846
where:
bonds (distance) C4'-P energy: -99.573
bonds (distance) P-C4' energy: -104.275
flat angles C4'-P-C4' energy: -112.173
flat angles P-C4'-P energy: -73.197
tors. eta vs tors. theta energy: -123.667
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1593.530108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.530108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.530108 (E_RNA)
where:
Base-Base interactions energy: -1108.346
where: short stacking energy: -486.389
Base-Backbone interact. energy: -4.656
local terms energy: -480.528275
where:
bonds (distance) C4'-P energy: -82.517
bonds (distance) P-C4' energy: -103.451
flat angles C4'-P-C4' energy: -108.065
flat angles P-C4'-P energy: -62.259
tors. eta vs tors. theta energy: -124.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1595.012745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.012745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.012745 (E_RNA)
where:
Base-Base interactions energy: -1116.766
where: short stacking energy: -463.230
Base-Backbone interact. energy: 1.121
local terms energy: -479.368499
where:
bonds (distance) C4'-P energy: -89.112
bonds (distance) P-C4' energy: -94.711
flat angles C4'-P-C4' energy: -100.332
flat angles P-C4'-P energy: -73.527
tors. eta vs tors. theta energy: -121.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1542.294505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.294505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.294505 (E_RNA)
where:
Base-Base interactions energy: -1081.860
where: short stacking energy: -456.701
Base-Backbone interact. energy: 3.771
local terms energy: -464.205175
where:
bonds (distance) C4'-P energy: -91.301
bonds (distance) P-C4' energy: -90.913
flat angles C4'-P-C4' energy: -91.452
flat angles P-C4'-P energy: -66.214
tors. eta vs tors. theta energy: -124.325
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1470.943996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.943996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.943996 (E_RNA)
where:
Base-Base interactions energy: -1024.190
where: short stacking energy: -432.980
Base-Backbone interact. energy: -0.552
local terms energy: -446.201973
where:
bonds (distance) C4'-P energy: -87.033
bonds (distance) P-C4' energy: -86.340
flat angles C4'-P-C4' energy: -104.337
flat angles P-C4'-P energy: -57.638
tors. eta vs tors. theta energy: -110.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -1405.962438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.962438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.962438 (E_RNA)
where:
Base-Base interactions energy: -988.339
where: short stacking energy: -386.531
Base-Backbone interact. energy: -2.805
local terms energy: -414.819024
where:
bonds (distance) C4'-P energy: -84.285
bonds (distance) P-C4' energy: -83.803
flat angles C4'-P-C4' energy: -93.965
flat angles P-C4'-P energy: -57.878
tors. eta vs tors. theta energy: -94.889
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: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -1349.990954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.990954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.990954 (E_RNA)
where:
Base-Base interactions energy: -931.085
where: short stacking energy: -405.988
Base-Backbone interact. energy: -0.241
local terms energy: -418.664975
where:
bonds (distance) C4'-P energy: -69.931
bonds (distance) P-C4' energy: -93.708
flat angles C4'-P-C4' energy: -96.597
flat angles P-C4'-P energy: -63.229
tors. eta vs tors. theta energy: -95.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1256.562360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.562360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.562360 (E_RNA)
where:
Base-Base interactions energy: -867.426
where: short stacking energy: -352.532
Base-Backbone interact. energy: 3.425
local terms energy: -392.561361
where:
bonds (distance) C4'-P energy: -78.402
bonds (distance) P-C4' energy: -91.178
flat angles C4'-P-C4' energy: -78.859
flat angles P-C4'-P energy: -70.044
tors. eta vs tors. theta energy: -74.078
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: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -1196.086924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.086924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.086924 (E_RNA)
where:
Base-Base interactions energy: -845.879
where: short stacking energy: -346.205
Base-Backbone interact. energy: -2.247
local terms energy: -347.960709
where:
bonds (distance) C4'-P energy: -64.917
bonds (distance) P-C4' energy: -70.938
flat angles C4'-P-C4' energy: -77.937
flat angles P-C4'-P energy: -61.867
tors. eta vs tors. theta energy: -72.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -1181.102508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.102508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.102508 (E_RNA)
where:
Base-Base interactions energy: -818.573
where: short stacking energy: -342.106
Base-Backbone interact. energy: -1.808
local terms energy: -360.721080
where:
bonds (distance) C4'-P energy: -74.008
bonds (distance) P-C4' energy: -74.662
flat angles C4'-P-C4' energy: -83.499
flat angles P-C4'-P energy: -56.988
tors. eta vs tors. theta energy: -71.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1637.511320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.511320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.511320 (E_RNA)
where:
Base-Base interactions energy: -1158.836
where: short stacking energy: -455.413
Base-Backbone interact. energy: -2.404
local terms energy: -476.271552
where:
bonds (distance) C4'-P energy: -81.297
bonds (distance) P-C4' energy: -103.601
flat angles C4'-P-C4' energy: -103.797
flat angles P-C4'-P energy: -66.236
tors. eta vs tors. theta energy: -121.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1624.956256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.956256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.956256 (E_RNA)
where:
Base-Base interactions energy: -1141.917
where: short stacking energy: -467.398
Base-Backbone interact. energy: -3.409
local terms energy: -479.629809
where:
bonds (distance) C4'-P energy: -77.530
bonds (distance) P-C4' energy: -94.671
flat angles C4'-P-C4' energy: -108.488
flat angles P-C4'-P energy: -69.072
tors. eta vs tors. theta energy: -129.869
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: 4
Temperature: 1.000000
Total energy: -1604.929048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.929048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.929048 (E_RNA)
where:
Base-Base interactions energy: -1111.448
where: short stacking energy: -463.832
Base-Backbone interact. energy: -2.794
local terms energy: -490.687597
where:
bonds (distance) C4'-P energy: -83.073
bonds (distance) P-C4' energy: -114.231
flat angles C4'-P-C4' energy: -102.418
flat angles P-C4'-P energy: -69.514
tors. eta vs tors. theta energy: -121.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1547.599982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.599982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.599982 (E_RNA)
where:
Base-Base interactions energy: -1099.547
where: short stacking energy: -473.310
Base-Backbone interact. energy: 2.518
local terms energy: -450.571076
where:
bonds (distance) C4'-P energy: -91.981
bonds (distance) P-C4' energy: -64.710
flat angles C4'-P-C4' energy: -101.359
flat angles P-C4'-P energy: -67.016
tors. eta vs tors. theta energy: -125.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1486.968527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.968527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.968527 (E_RNA)
where:
Base-Base interactions energy: -1039.114
where: short stacking energy: -418.784
Base-Backbone interact. energy: 0.846
local terms energy: -448.701335
where:
bonds (distance) C4'-P energy: -85.584
bonds (distance) P-C4' energy: -85.438
flat angles C4'-P-C4' energy: -100.312
flat angles P-C4'-P energy: -69.370
tors. eta vs tors. theta energy: -107.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -1421.282285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.282285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.282285 (E_RNA)
where:
Base-Base interactions energy: -1002.065
where: short stacking energy: -438.563
Base-Backbone interact. energy: 0.049
local terms energy: -419.266396
where:
bonds (distance) C4'-P energy: -78.716
bonds (distance) P-C4' energy: -82.121
flat angles C4'-P-C4' energy: -94.356
flat angles P-C4'-P energy: -67.779
tors. eta vs tors. theta energy: -96.295
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: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1294.336400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.336400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.336400 (E_RNA)
where:
Base-Base interactions energy: -876.070
where: short stacking energy: -371.378
Base-Backbone interact. energy: -4.305
local terms energy: -413.961723
where:
bonds (distance) C4'-P energy: -72.656
bonds (distance) P-C4' energy: -89.921
flat angles C4'-P-C4' energy: -96.462
flat angles P-C4'-P energy: -62.345
tors. eta vs tors. theta energy: -92.577
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: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1251.711287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.711287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.711287 (E_RNA)
where:
Base-Base interactions energy: -882.381
where: short stacking energy: -354.475
Base-Backbone interact. energy: 1.921
local terms energy: -371.250742
where:
bonds (distance) C4'-P energy: -85.983
bonds (distance) P-C4' energy: -75.627
flat angles C4'-P-C4' energy: -86.536
flat angles P-C4'-P energy: -46.735
tors. eta vs tors. theta energy: -76.369
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1187.461791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.461791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.461791 (E_RNA)
where:
Base-Base interactions energy: -824.351
where: short stacking energy: -340.249
Base-Backbone interact. energy: 0.118
local terms energy: -363.228750
where:
bonds (distance) C4'-P energy: -76.964
bonds (distance) P-C4' energy: -67.234
flat angles C4'-P-C4' energy: -83.956
flat angles P-C4'-P energy: -62.841
tors. eta vs tors. theta energy: -72.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -1142.814035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.814035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.814035 (E_RNA)
where:
Base-Base interactions energy: -791.437
where: short stacking energy: -342.461
Base-Backbone interact. energy: -1.774
local terms energy: -349.603456
where:
bonds (distance) C4'-P energy: -72.804
bonds (distance) P-C4' energy: -66.047
flat angles C4'-P-C4' energy: -90.827
flat angles P-C4'-P energy: -40.540
tors. eta vs tors. theta energy: -79.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1666.054250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.054250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.054250 (E_RNA)
where:
Base-Base interactions energy: -1164.267
where: short stacking energy: -465.222
Base-Backbone interact. energy: -4.633
local terms energy: -497.154414
where:
bonds (distance) C4'-P energy: -96.601
bonds (distance) P-C4' energy: -97.922
flat angles C4'-P-C4' energy: -106.818
flat angles P-C4'-P energy: -80.250
tors. eta vs tors. theta energy: -115.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1672.358514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.358514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.358514 (E_RNA)
where:
Base-Base interactions energy: -1171.733
where: short stacking energy: -469.767
Base-Backbone interact. energy: -4.355
local terms energy: -496.270226
where:
bonds (distance) C4'-P energy: -85.378
bonds (distance) P-C4' energy: -93.873
flat angles C4'-P-C4' energy: -110.934
flat angles P-C4'-P energy: -82.580
tors. eta vs tors. theta energy: -123.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1603.966262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.966262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.966262 (E_RNA)
where:
Base-Base interactions energy: -1135.169
where: short stacking energy: -478.372
Base-Backbone interact. energy: -0.010
local terms energy: -468.787153
where:
bonds (distance) C4'-P energy: -91.307
bonds (distance) P-C4' energy: -93.401
flat angles C4'-P-C4' energy: -92.239
flat angles P-C4'-P energy: -65.966
tors. eta vs tors. theta energy: -125.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1551.947439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.947439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.947439 (E_RNA)
where:
Base-Base interactions energy: -1085.761
where: short stacking energy: -449.527
Base-Backbone interact. energy: -2.090
local terms energy: -464.096216
where:
bonds (distance) C4'-P energy: -99.186
bonds (distance) P-C4' energy: -87.868
flat angles C4'-P-C4' energy: -94.116
flat angles P-C4'-P energy: -62.742
tors. eta vs tors. theta energy: -120.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1454.872044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.872044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.872044 (E_RNA)
where:
Base-Base interactions energy: -1007.546
where: short stacking energy: -428.847
Base-Backbone interact. energy: 0.810
local terms energy: -448.135960
where:
bonds (distance) C4'-P energy: -99.967
bonds (distance) P-C4' energy: -89.126
flat angles C4'-P-C4' energy: -99.409
flat angles P-C4'-P energy: -54.379
tors. eta vs tors. theta energy: -105.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1394.592649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.592649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.592649 (E_RNA)
where:
Base-Base interactions energy: -980.757
where: short stacking energy: -383.782
Base-Backbone interact. energy: -1.401
local terms energy: -412.434563
where:
bonds (distance) C4'-P energy: -79.575
bonds (distance) P-C4' energy: -83.641
flat angles C4'-P-C4' energy: -92.620
flat angles P-C4'-P energy: -52.274
tors. eta vs tors. theta energy: -104.326
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: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -1275.494183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.494183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.494183 (E_RNA)
where:
Base-Base interactions energy: -919.653
where: short stacking energy: -364.801
Base-Backbone interact. energy: -4.008
local terms energy: -351.833157
where:
bonds (distance) C4'-P energy: -71.210
bonds (distance) P-C4' energy: -68.764
flat angles C4'-P-C4' energy: -75.204
flat angles P-C4'-P energy: -64.568
tors. eta vs tors. theta energy: -72.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -1261.520360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.520360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.520360 (E_RNA)
where:
Base-Base interactions energy: -862.758
where: short stacking energy: -359.768
Base-Backbone interact. energy: 3.227
local terms energy: -401.989451
where:
bonds (distance) C4'-P energy: -86.951
bonds (distance) P-C4' energy: -78.289
flat angles C4'-P-C4' energy: -89.389
flat angles P-C4'-P energy: -65.027
tors. eta vs tors. theta energy: -82.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1280.447424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.447424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.447424 (E_RNA)
where:
Base-Base interactions energy: -892.401
where: short stacking energy: -360.987
Base-Backbone interact. energy: -0.920
local terms energy: -387.126055
where:
bonds (distance) C4'-P energy: -74.330
bonds (distance) P-C4' energy: -74.999
flat angles C4'-P-C4' energy: -98.970
flat angles P-C4'-P energy: -52.663
tors. eta vs tors. theta energy: -86.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -1084.575691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.575691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.575691 (E_RNA)
where:
Base-Base interactions energy: -759.932
where: short stacking energy: -309.295
Base-Backbone interact. energy: -1.012
local terms energy: -323.632313
where:
bonds (distance) C4'-P energy: -70.328
bonds (distance) P-C4' energy: -65.262
flat angles C4'-P-C4' energy: -80.580
flat angles P-C4'-P energy: -49.776
tors. eta vs tors. theta energy: -57.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1703.664194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.664194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.664194 (E_RNA)
where:
Base-Base interactions energy: -1207.843
where: short stacking energy: -473.638
Base-Backbone interact. energy: 0.019
local terms energy: -495.840074
where:
bonds (distance) C4'-P energy: -93.162
bonds (distance) P-C4' energy: -99.891
flat angles C4'-P-C4' energy: -109.429
flat angles P-C4'-P energy: -66.774
tors. eta vs tors. theta energy: -126.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1618.624506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.624506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.624506 (E_RNA)
where:
Base-Base interactions energy: -1140.066
where: short stacking energy: -454.650
Base-Backbone interact. energy: -0.886
local terms energy: -477.673014
where:
bonds (distance) C4'-P energy: -85.290
bonds (distance) P-C4' energy: -90.963
flat angles C4'-P-C4' energy: -106.724
flat angles P-C4'-P energy: -70.714
tors. eta vs tors. theta energy: -123.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1606.829242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.829242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.829242 (E_RNA)
where:
Base-Base interactions energy: -1134.294
where: short stacking energy: -459.093
Base-Backbone interact. energy: -3.162
local terms energy: -469.372636
where:
bonds (distance) C4'-P energy: -84.347
bonds (distance) P-C4' energy: -96.846
flat angles C4'-P-C4' energy: -103.102
flat angles P-C4'-P energy: -60.737
tors. eta vs tors. theta energy: -124.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1525.991831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.991831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.991831 (E_RNA)
where:
Base-Base interactions energy: -1075.448
where: short stacking energy: -427.808
Base-Backbone interact. energy: -4.008
local terms energy: -446.535582
where:
bonds (distance) C4'-P energy: -89.537
bonds (distance) P-C4' energy: -76.802
flat angles C4'-P-C4' energy: -98.407
flat angles P-C4'-P energy: -68.071
tors. eta vs tors. theta energy: -113.719
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: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1496.013267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.013267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.013267 (E_RNA)
where:
Base-Base interactions energy: -1048.654
where: short stacking energy: -434.542
Base-Backbone interact. energy: -4.484
local terms energy: -442.875927
where:
bonds (distance) C4'-P energy: -81.987
bonds (distance) P-C4' energy: -74.568
flat angles C4'-P-C4' energy: -97.640
flat angles P-C4'-P energy: -81.162
tors. eta vs tors. theta energy: -107.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1420.832811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.832811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.832811 (E_RNA)
where:
Base-Base interactions energy: -984.023
where: short stacking energy: -400.868
Base-Backbone interact. energy: -1.734
local terms energy: -435.075593
where:
bonds (distance) C4'-P energy: -96.927
bonds (distance) P-C4' energy: -79.828
flat angles C4'-P-C4' energy: -98.164
flat angles P-C4'-P energy: -62.685
tors. eta vs tors. theta energy: -97.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1289.931067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.931067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.931067 (E_RNA)
where:
Base-Base interactions energy: -900.238
where: short stacking energy: -369.559
Base-Backbone interact. energy: -1.821
local terms energy: -387.871933
where:
bonds (distance) C4'-P energy: -69.789
bonds (distance) P-C4' energy: -77.856
flat angles C4'-P-C4' energy: -86.573
flat angles P-C4'-P energy: -65.825
tors. eta vs tors. theta energy: -87.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -1241.608469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.608469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.608469 (E_RNA)
where:
Base-Base interactions energy: -858.991
where: short stacking energy: -349.283
Base-Backbone interact. energy: 4.921
local terms energy: -387.538069
where:
bonds (distance) C4'-P energy: -67.586
bonds (distance) P-C4' energy: -70.116
flat angles C4'-P-C4' energy: -98.588
flat angles P-C4'-P energy: -64.746
tors. eta vs tors. theta energy: -86.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -1224.643134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.643134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.643134 (E_RNA)
where:
Base-Base interactions energy: -845.190
where: short stacking energy: -350.493
Base-Backbone interact. energy: -1.051
local terms energy: -378.401605
where:
bonds (distance) C4'-P energy: -72.658
bonds (distance) P-C4' energy: -76.080
flat angles C4'-P-C4' energy: -100.729
flat angles P-C4'-P energy: -48.492
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: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -1138.740303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.740303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.740303 (E_RNA)
where:
Base-Base interactions energy: -777.852
where: short stacking energy: -321.665
Base-Backbone interact. energy: 9.462
local terms energy: -370.350572
where:
bonds (distance) C4'-P energy: -83.175
bonds (distance) P-C4' energy: -81.023
flat angles C4'-P-C4' energy: -92.715
flat angles P-C4'-P energy: -46.046
tors. eta vs tors. theta energy: -67.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1698.793499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.793499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.793499 (E_RNA)
where:
Base-Base interactions energy: -1185.058
where: short stacking energy: -482.839
Base-Backbone interact. energy: -2.965
local terms energy: -510.770270
where:
bonds (distance) C4'-P energy: -87.563
bonds (distance) P-C4' energy: -103.612
flat angles C4'-P-C4' energy: -110.211
flat angles P-C4'-P energy: -80.232
tors. eta vs tors. theta energy: -129.151
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: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1685.442528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.442528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.442528 (E_RNA)
where:
Base-Base interactions energy: -1196.755
where: short stacking energy: -486.823
Base-Backbone interact. energy: -2.466
local terms energy: -486.221314
where:
bonds (distance) C4'-P energy: -80.284
bonds (distance) P-C4' energy: -98.946
flat angles C4'-P-C4' energy: -98.619
flat angles P-C4'-P energy: -80.564
tors. eta vs tors. theta energy: -127.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1573.541922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.541922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.541922 (E_RNA)
where:
Base-Base interactions energy: -1087.638
where: short stacking energy: -447.594
Base-Backbone interact. energy: 0.165
local terms energy: -486.068341
where:
bonds (distance) C4'-P energy: -95.100
bonds (distance) P-C4' energy: -91.240
flat angles C4'-P-C4' energy: -105.936
flat angles P-C4'-P energy: -67.199
tors. eta vs tors. theta energy: -126.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1527.911805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.911805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.911805 (E_RNA)
where:
Base-Base interactions energy: -1081.691
where: short stacking energy: -446.732
Base-Backbone interact. energy: -2.346
local terms energy: -443.874622
where:
bonds (distance) C4'-P energy: -91.631
bonds (distance) P-C4' energy: -90.510
flat angles C4'-P-C4' energy: -86.311
flat angles P-C4'-P energy: -55.466
tors. eta vs tors. theta energy: -119.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1489.438632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.438632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.438632 (E_RNA)
where:
Base-Base interactions energy: -1034.590
where: short stacking energy: -429.799
Base-Backbone interact. energy: -2.707
local terms energy: -452.142039
where:
bonds (distance) C4'-P energy: -89.167
bonds (distance) P-C4' energy: -88.389
flat angles C4'-P-C4' energy: -95.753
flat angles P-C4'-P energy: -52.932
tors. eta vs tors. theta energy: -125.902
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: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -1391.857127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.857127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.857127 (E_RNA)
where:
Base-Base interactions energy: -961.171
where: short stacking energy: -394.666
Base-Backbone interact. energy: 1.231
local terms energy: -431.917459
where:
bonds (distance) C4'-P energy: -93.370
bonds (distance) P-C4' energy: -87.490
flat angles C4'-P-C4' energy: -94.720
flat angles P-C4'-P energy: -61.785
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: 7, replica: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1269.409444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.409444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.409444 (E_RNA)
where:
Base-Base interactions energy: -899.102
where: short stacking energy: -362.640
Base-Backbone interact. energy: 2.441
local terms energy: -372.748462
where:
bonds (distance) C4'-P energy: -85.220
bonds (distance) P-C4' energy: -73.698
flat angles C4'-P-C4' energy: -82.335
flat angles P-C4'-P energy: -49.293
tors. eta vs tors. theta energy: -82.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1248.321371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.321371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.321371 (E_RNA)
where:
Base-Base interactions energy: -889.047
where: short stacking energy: -362.616
Base-Backbone interact. energy: -2.041
local terms energy: -357.233844
where:
bonds (distance) C4'-P energy: -63.190
bonds (distance) P-C4' energy: -73.453
flat angles C4'-P-C4' energy: -86.019
flat angles P-C4'-P energy: -60.641
tors. eta vs tors. theta energy: -73.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1198.810216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.810216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.810216 (E_RNA)
where:
Base-Base interactions energy: -822.894
where: short stacking energy: -340.793
Base-Backbone interact. energy: -0.316
local terms energy: -375.600012
where:
bonds (distance) C4'-P energy: -91.732
bonds (distance) P-C4' energy: -68.593
flat angles C4'-P-C4' energy: -67.360
flat angles P-C4'-P energy: -58.081
tors. eta vs tors. theta energy: -89.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1193.043543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.043543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.043543 (E_RNA)
where:
Base-Base interactions energy: -854.105
where: short stacking energy: -345.434
Base-Backbone interact. energy: 2.914
local terms energy: -341.852886
where:
bonds (distance) C4'-P energy: -80.139
bonds (distance) P-C4' energy: -69.966
flat angles C4'-P-C4' energy: -79.140
flat angles P-C4'-P energy: -35.660
tors. eta vs tors. theta energy: -76.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1726.443144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.443144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.443144 (E_RNA)
where:
Base-Base interactions energy: -1184.040
where: short stacking energy: -488.314
Base-Backbone interact. energy: -2.485
local terms energy: -539.918672
where:
bonds (distance) C4'-P energy: -103.247
bonds (distance) P-C4' energy: -104.450
flat angles C4'-P-C4' energy: -118.399
flat angles P-C4'-P energy: -78.086
tors. eta vs tors. theta energy: -135.737
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: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1680.512659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.512659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.512659 (E_RNA)
where:
Base-Base interactions energy: -1180.369
where: short stacking energy: -458.515
Base-Backbone interact. energy: 0.132
local terms energy: -500.274826
where:
bonds (distance) C4'-P energy: -95.038
bonds (distance) P-C4' energy: -99.106
flat angles C4'-P-C4' energy: -113.541
flat angles P-C4'-P energy: -74.352
tors. eta vs tors. theta energy: -118.238
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: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1569.104447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.104447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.104447 (E_RNA)
where:
Base-Base interactions energy: -1091.921
where: short stacking energy: -469.375
Base-Backbone interact. energy: 2.069
local terms energy: -479.253398
where:
bonds (distance) C4'-P energy: -93.464
bonds (distance) P-C4' energy: -77.985
flat angles C4'-P-C4' energy: -114.322
flat angles P-C4'-P energy: -71.062
tors. eta vs tors. theta energy: -122.421
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: 8
Temperature: 1.050000
Total energy: -1563.729095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.729095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.729095 (E_RNA)
where:
Base-Base interactions energy: -1119.665
where: short stacking energy: -450.939
Base-Backbone interact. energy: 0.485
local terms energy: -444.549086
where:
bonds (distance) C4'-P energy: -86.347
bonds (distance) P-C4' energy: -81.861
flat angles C4'-P-C4' energy: -101.157
flat angles P-C4'-P energy: -65.175
tors. eta vs tors. theta energy: -110.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1512.902795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.902795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.902795 (E_RNA)
where:
Base-Base interactions energy: -1071.661
where: short stacking energy: -434.940
Base-Backbone interact. energy: 1.118
local terms energy: -442.360376
where:
bonds (distance) C4'-P energy: -83.048
bonds (distance) P-C4' energy: -77.747
flat angles C4'-P-C4' energy: -105.433
flat angles P-C4'-P energy: -66.266
tors. eta vs tors. theta energy: -109.868
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: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1404.722222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.722222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.722222 (E_RNA)
where:
Base-Base interactions energy: -960.986
where: short stacking energy: -410.011
Base-Backbone interact. energy: -0.299
local terms energy: -443.437962
where:
bonds (distance) C4'-P energy: -98.083
bonds (distance) P-C4' energy: -93.017
flat angles C4'-P-C4' energy: -93.751
flat angles P-C4'-P energy: -43.414
tors. eta vs tors. theta energy: -115.173
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: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -1257.656944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.656944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.656944 (E_RNA)
where:
Base-Base interactions energy: -854.181
where: short stacking energy: -355.387
Base-Backbone interact. energy: 0.477
local terms energy: -403.953708
where:
bonds (distance) C4'-P energy: -78.165
bonds (distance) P-C4' energy: -86.290
flat angles C4'-P-C4' energy: -98.439
flat angles P-C4'-P energy: -53.927
tors. eta vs tors. theta energy: -87.133
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: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1273.484332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.484332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.484332 (E_RNA)
where:
Base-Base interactions energy: -865.199
where: short stacking energy: -349.569
Base-Backbone interact. energy: -0.772
local terms energy: -407.513607
where:
bonds (distance) C4'-P energy: -84.315
bonds (distance) P-C4' energy: -80.899
flat angles C4'-P-C4' energy: -95.060
flat angles P-C4'-P energy: -59.647
tors. eta vs tors. theta energy: -87.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1241.130337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.130337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.130337 (E_RNA)
where:
Base-Base interactions energy: -871.568
where: short stacking energy: -351.649
Base-Backbone interact. energy: 7.535
local terms energy: -377.097526
where:
bonds (distance) C4'-P energy: -70.621
bonds (distance) P-C4' energy: -77.692
flat angles C4'-P-C4' energy: -85.950
flat angles P-C4'-P energy: -56.808
tors. eta vs tors. theta energy: -86.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1174.427676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.427676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.427676 (E_RNA)
where:
Base-Base interactions energy: -826.787
where: short stacking energy: -357.442
Base-Backbone interact. energy: -0.926
local terms energy: -346.715210
where:
bonds (distance) C4'-P energy: -68.196
bonds (distance) P-C4' energy: -69.918
flat angles C4'-P-C4' energy: -67.252
flat angles P-C4'-P energy: -62.665
tors. eta vs tors. theta energy: -78.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1733.413348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.413348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.413348 (E_RNA)
where:
Base-Base interactions energy: -1220.198
where: short stacking energy: -515.524
Base-Backbone interact. energy: -3.255
local terms energy: -509.960799
where:
bonds (distance) C4'-P energy: -99.665
bonds (distance) P-C4' energy: -79.879
flat angles C4'-P-C4' energy: -112.547
flat angles P-C4'-P energy: -77.381
tors. eta vs tors. theta energy: -140.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1697.156887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.156887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.156887 (E_RNA)
where:
Base-Base interactions energy: -1189.983
where: short stacking energy: -488.661
Base-Backbone interact. energy: -0.676
local terms energy: -506.498529
where:
bonds (distance) C4'-P energy: -86.872
bonds (distance) P-C4' energy: -93.549
flat angles C4'-P-C4' energy: -120.587
flat angles P-C4'-P energy: -77.611
tors. eta vs tors. theta energy: -127.880
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: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1595.464510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.464510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.464510 (E_RNA)
where:
Base-Base interactions energy: -1120.294
where: short stacking energy: -445.653
Base-Backbone interact. energy: -0.917
local terms energy: -474.253823
where:
bonds (distance) C4'-P energy: -86.322
bonds (distance) P-C4' energy: -93.961
flat angles C4'-P-C4' energy: -101.564
flat angles P-C4'-P energy: -66.734
tors. eta vs tors. theta energy: -125.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1550.570805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.570805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.570805 (E_RNA)
where:
Base-Base interactions energy: -1102.610
where: short stacking energy: -442.345
Base-Backbone interact. energy: -1.156
local terms energy: -446.805423
where:
bonds (distance) C4'-P energy: -94.551
bonds (distance) P-C4' energy: -83.145
flat angles C4'-P-C4' energy: -94.208
flat angles P-C4'-P energy: -59.834
tors. eta vs tors. theta energy: -115.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1515.682747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.682747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.682747 (E_RNA)
where:
Base-Base interactions energy: -1029.820
where: short stacking energy: -428.783
Base-Backbone interact. energy: -0.800
local terms energy: -485.063334
where:
bonds (distance) C4'-P energy: -91.132
bonds (distance) P-C4' energy: -101.737
flat angles C4'-P-C4' energy: -98.845
flat angles P-C4'-P energy: -68.991
tors. eta vs tors. theta energy: -124.358
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: 9
Temperature: 1.150000
Total energy: -1440.417722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.417722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.417722 (E_RNA)
where:
Base-Base interactions energy: -994.071
where: short stacking energy: -400.585
Base-Backbone interact. energy: -0.705
local terms energy: -445.641109
where:
bonds (distance) C4'-P energy: -93.570
bonds (distance) P-C4' energy: -92.896
flat angles C4'-P-C4' energy: -96.423
flat angles P-C4'-P energy: -55.946
tors. eta vs tors. theta energy: -106.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1318.760011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.760011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.760011 (E_RNA)
where:
Base-Base interactions energy: -888.262
where: short stacking energy: -367.290
Base-Backbone interact. energy: 1.535
local terms energy: -432.033601
where:
bonds (distance) C4'-P energy: -83.300
bonds (distance) P-C4' energy: -89.337
flat angles C4'-P-C4' energy: -109.608
flat angles P-C4'-P energy: -56.106
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: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1242.704026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.704026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.704026 (E_RNA)
where:
Base-Base interactions energy: -873.234
where: short stacking energy: -375.749
Base-Backbone interact. energy: -1.292
local terms energy: -368.178393
where:
bonds (distance) C4'-P energy: -70.199
bonds (distance) P-C4' energy: -76.539
flat angles C4'-P-C4' energy: -91.108
flat angles P-C4'-P energy: -37.854
tors. eta vs tors. theta energy: -92.479
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: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1186.381294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.381294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.381294 (E_RNA)
where:
Base-Base interactions energy: -830.835
where: short stacking energy: -354.348
Base-Backbone interact. energy: -1.061
local terms energy: -354.484923
where:
bonds (distance) C4'-P energy: -65.453
bonds (distance) P-C4' energy: -74.132
flat angles C4'-P-C4' energy: -85.916
flat angles P-C4'-P energy: -48.452
tors. eta vs tors. theta energy: -80.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1157.132966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.132966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.132966 (E_RNA)
where:
Base-Base interactions energy: -823.938
where: short stacking energy: -349.564
Base-Backbone interact. energy: 3.155
local terms energy: -336.349618
where:
bonds (distance) C4'-P energy: -59.418
bonds (distance) P-C4' energy: -88.735
flat angles C4'-P-C4' energy: -74.223
flat angles P-C4'-P energy: -28.900
tors. eta vs tors. theta energy: -85.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1721.114754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.114754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.114754 (E_RNA)
where:
Base-Base interactions energy: -1227.897
where: short stacking energy: -503.743
Base-Backbone interact. energy: 1.401
local terms energy: -494.618418
where:
bonds (distance) C4'-P energy: -100.459
bonds (distance) P-C4' energy: -85.164
flat angles C4'-P-C4' energy: -105.813
flat angles P-C4'-P energy: -67.154
tors. eta vs tors. theta energy: -136.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1678.669039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.669039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.669039 (E_RNA)
where:
Base-Base interactions energy: -1182.186
where: short stacking energy: -503.438
Base-Backbone interact. energy: -5.272
local terms energy: -491.211286
where:
bonds (distance) C4'-P energy: -92.496
bonds (distance) P-C4' energy: -88.499
flat angles C4'-P-C4' energy: -104.778
flat angles P-C4'-P energy: -69.586
tors. eta vs tors. theta energy: -135.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1609.844109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.844109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.844109 (E_RNA)
where:
Base-Base interactions energy: -1106.798
where: short stacking energy: -461.350
Base-Backbone interact. energy: -4.631
local terms energy: -498.415315
where:
bonds (distance) C4'-P energy: -99.118
bonds (distance) P-C4' energy: -104.000
flat angles C4'-P-C4' energy: -97.063
flat angles P-C4'-P energy: -75.155
tors. eta vs tors. theta energy: -123.078
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: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1567.161719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.161719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.161719 (E_RNA)
where:
Base-Base interactions energy: -1110.563
where: short stacking energy: -453.739
Base-Backbone interact. energy: -5.020
local terms energy: -451.578866
where:
bonds (distance) C4'-P energy: -81.641
bonds (distance) P-C4' energy: -90.302
flat angles C4'-P-C4' energy: -105.430
flat angles P-C4'-P energy: -60.599
tors. eta vs tors. theta energy: -113.607
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: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1514.311014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.311014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.311014 (E_RNA)
where:
Base-Base interactions energy: -1049.343
where: short stacking energy: -416.241
Base-Backbone interact. energy: -1.286
local terms energy: -463.681730
where:
bonds (distance) C4'-P energy: -92.405
bonds (distance) P-C4' energy: -97.183
flat angles C4'-P-C4' energy: -94.010
flat angles P-C4'-P energy: -61.600
tors. eta vs tors. theta energy: -118.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1443.480595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.480595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.480595 (E_RNA)
where:
Base-Base interactions energy: -1015.551
where: short stacking energy: -406.888
Base-Backbone interact. energy: 0.178
local terms energy: -428.107485
where:
bonds (distance) C4'-P energy: -76.052
bonds (distance) P-C4' energy: -93.649
flat angles C4'-P-C4' energy: -86.566
flat angles P-C4'-P energy: -57.749
tors. eta vs tors. theta energy: -114.092
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: 10
Temperature: 1.200000
Total energy: -1343.452075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.452075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.452075 (E_RNA)
where:
Base-Base interactions energy: -922.646
where: short stacking energy: -399.673
Base-Backbone interact. energy: -1.238
local terms energy: -419.568043
where:
bonds (distance) C4'-P energy: -82.439
bonds (distance) P-C4' energy: -88.509
flat angles C4'-P-C4' energy: -85.187
flat angles P-C4'-P energy: -54.306
tors. eta vs tors. theta energy: -109.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1263.780669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.780669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.780669 (E_RNA)
where:
Base-Base interactions energy: -874.977
where: short stacking energy: -349.118
Base-Backbone interact. energy: -1.800
local terms energy: -387.003587
where:
bonds (distance) C4'-P energy: -69.496
bonds (distance) P-C4' energy: -94.532
flat angles C4'-P-C4' energy: -88.327
flat angles P-C4'-P energy: -55.414
tors. eta vs tors. theta energy: -79.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1204.789006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.789006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.789006 (E_RNA)
where:
Base-Base interactions energy: -810.625
where: short stacking energy: -342.253
Base-Backbone interact. energy: 0.525
local terms energy: -394.689885
where:
bonds (distance) C4'-P energy: -76.365
bonds (distance) P-C4' energy: -82.782
flat angles C4'-P-C4' energy: -95.663
flat angles P-C4'-P energy: -56.740
tors. eta vs tors. theta energy: -83.140
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: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -1111.058990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.058990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.058990 (E_RNA)
where:
Base-Base interactions energy: -762.059
where: short stacking energy: -300.890
Base-Backbone interact. energy: -0.540
local terms energy: -348.460279
where:
bonds (distance) C4'-P energy: -69.196
bonds (distance) P-C4' energy: -88.103
flat angles C4'-P-C4' energy: -78.506
flat angles P-C4'-P energy: -51.383
tors. eta vs tors. theta energy: -61.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1724.325542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.325542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.325542 (E_RNA)
where:
Base-Base interactions energy: -1210.603
where: short stacking energy: -487.476
Base-Backbone interact. energy: -2.373
local terms energy: -511.349397
where:
bonds (distance) C4'-P energy: -92.961
bonds (distance) P-C4' energy: -100.660
flat angles C4'-P-C4' energy: -109.684
flat angles P-C4'-P energy: -74.021
tors. eta vs tors. theta energy: -134.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1745.489618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.489618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.489618 (E_RNA)
where:
Base-Base interactions energy: -1254.001
where: short stacking energy: -496.721
Base-Backbone interact. energy: -2.335
local terms energy: -489.153221
where:
bonds (distance) C4'-P energy: -88.429
bonds (distance) P-C4' energy: -95.703
flat angles C4'-P-C4' energy: -112.330
flat angles P-C4'-P energy: -65.009
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: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1621.555834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.555834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.555834 (E_RNA)
where:
Base-Base interactions energy: -1150.693
where: short stacking energy: -462.382
Base-Backbone interact. energy: -2.512
local terms energy: -468.351226
where:
bonds (distance) C4'-P energy: -98.053
bonds (distance) P-C4' energy: -82.559
flat angles C4'-P-C4' energy: -106.190
flat angles P-C4'-P energy: -62.350
tors. eta vs tors. theta energy: -119.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1547.032648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.032648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.032648 (E_RNA)
where:
Base-Base interactions energy: -1066.450
where: short stacking energy: -448.443
Base-Backbone interact. energy: -2.113
local terms energy: -478.469462
where:
bonds (distance) C4'-P energy: -87.940
bonds (distance) P-C4' energy: -86.202
flat angles C4'-P-C4' energy: -106.990
flat angles P-C4'-P energy: -74.088
tors. eta vs tors. theta energy: -123.250
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: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1467.612749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.612749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.612749 (E_RNA)
where:
Base-Base interactions energy: -1046.042
where: short stacking energy: -419.292
Base-Backbone interact. energy: 1.521
local terms energy: -423.091496
where:
bonds (distance) C4'-P energy: -82.358
bonds (distance) P-C4' energy: -77.550
flat angles C4'-P-C4' energy: -96.206
flat angles P-C4'-P energy: -64.086
tors. eta vs tors. theta energy: -102.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1453.354314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.354314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.354314 (E_RNA)
where:
Base-Base interactions energy: -1014.667
where: short stacking energy: -416.663
Base-Backbone interact. energy: -2.028
local terms energy: -436.659351
where:
bonds (distance) C4'-P energy: -72.973
bonds (distance) P-C4' energy: -74.716
flat angles C4'-P-C4' energy: -104.471
flat angles P-C4'-P energy: -71.814
tors. eta vs tors. theta energy: -112.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1332.906833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.906833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.906833 (E_RNA)
where:
Base-Base interactions energy: -911.807
where: short stacking energy: -389.138
Base-Backbone interact. energy: -0.218
local terms energy: -420.881935
where:
bonds (distance) C4'-P energy: -64.988
bonds (distance) P-C4' energy: -98.620
flat angles C4'-P-C4' energy: -87.001
flat angles P-C4'-P energy: -72.722
tors. eta vs tors. theta energy: -97.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -1320.729567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.729567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.729567 (E_RNA)
where:
Base-Base interactions energy: -899.632
where: short stacking energy: -372.119
Base-Backbone interact. energy: -0.721
local terms energy: -420.375827
where:
bonds (distance) C4'-P energy: -79.960
bonds (distance) P-C4' energy: -72.627
flat angles C4'-P-C4' energy: -110.767
flat angles P-C4'-P energy: -58.240
tors. eta vs tors. theta energy: -98.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1236.229415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.229415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.229415 (E_RNA)
where:
Base-Base interactions energy: -865.789
where: short stacking energy: -356.946
Base-Backbone interact. energy: -1.261
local terms energy: -369.179925
where:
bonds (distance) C4'-P energy: -64.373
bonds (distance) P-C4' energy: -70.998
flat angles C4'-P-C4' energy: -95.142
flat angles P-C4'-P energy: -57.280
tors. eta vs tors. theta energy: -81.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -1109.098103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.098103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.098103 (E_RNA)
where:
Base-Base interactions energy: -774.788
where: short stacking energy: -336.547
Base-Backbone interact. energy: 1.757
local terms energy: -336.067717
where:
bonds (distance) C4'-P energy: -81.353
bonds (distance) P-C4' energy: -69.887
flat angles C4'-P-C4' energy: -77.394
flat angles P-C4'-P energy: -46.354
tors. eta vs tors. theta energy: -61.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1765.897597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.897597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.897597 (E_RNA)
where:
Base-Base interactions energy: -1264.555
where: short stacking energy: -510.802
Base-Backbone interact. energy: -3.745
local terms energy: -497.596845
where:
bonds (distance) C4'-P energy: -83.885
bonds (distance) P-C4' energy: -101.983
flat angles C4'-P-C4' energy: -104.648
flat angles P-C4'-P energy: -73.672
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: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1709.116746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.116746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.116746 (E_RNA)
where:
Base-Base interactions energy: -1206.697
where: short stacking energy: -491.021
Base-Backbone interact. energy: 0.570
local terms energy: -502.989914
where:
bonds (distance) C4'-P energy: -94.390
bonds (distance) P-C4' energy: -79.836
flat angles C4'-P-C4' energy: -110.165
flat angles P-C4'-P energy: -82.425
tors. eta vs tors. theta energy: -136.174
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: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1606.681670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.681670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.681670 (E_RNA)
where:
Base-Base interactions energy: -1114.956
where: short stacking energy: -436.232
Base-Backbone interact. energy: -2.611
local terms energy: -489.115331
where:
bonds (distance) C4'-P energy: -93.953
bonds (distance) P-C4' energy: -88.639
flat angles C4'-P-C4' energy: -111.298
flat angles P-C4'-P energy: -71.072
tors. eta vs tors. theta energy: -124.153
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: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1582.122181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.122181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.122181 (E_RNA)
where:
Base-Base interactions energy: -1090.852
where: short stacking energy: -470.452
Base-Backbone interact. energy: -1.649
local terms energy: -489.621355
where:
bonds (distance) C4'-P energy: -95.501
bonds (distance) P-C4' energy: -91.993
flat angles C4'-P-C4' energy: -111.307
flat angles P-C4'-P energy: -62.709
tors. eta vs tors. theta energy: -128.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1468.008887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.008887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.008887 (E_RNA)
where:
Base-Base interactions energy: -1006.320
where: short stacking energy: -409.330
Base-Backbone interact. energy: -4.506
local terms energy: -457.183681
where:
bonds (distance) C4'-P energy: -91.796
bonds (distance) P-C4' energy: -76.805
flat angles C4'-P-C4' energy: -113.942
flat angles P-C4'-P energy: -72.397
tors. eta vs tors. theta energy: -102.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1540.144115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.144115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.144115 (E_RNA)
where:
Base-Base interactions energy: -1089.163
where: short stacking energy: -457.637
Base-Backbone interact. energy: -1.103
local terms energy: -449.877581
where:
bonds (distance) C4'-P energy: -79.851
bonds (distance) P-C4' energy: -69.708
flat angles C4'-P-C4' energy: -107.336
flat angles P-C4'-P energy: -65.652
tors. eta vs tors. theta energy: -127.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1428.541509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.541509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.541509 (E_RNA)
where:
Base-Base interactions energy: -986.510
where: short stacking energy: -404.530
Base-Backbone interact. energy: -4.339
local terms energy: -437.693305
where:
bonds (distance) C4'-P energy: -88.259
bonds (distance) P-C4' energy: -74.480
flat angles C4'-P-C4' energy: -98.404
flat angles P-C4'-P energy: -70.499
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: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1303.173830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.173830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.173830 (E_RNA)
where:
Base-Base interactions energy: -887.405
where: short stacking energy: -380.589
Base-Backbone interact. energy: -2.826
local terms energy: -412.942873
where:
bonds (distance) C4'-P energy: -68.992
bonds (distance) P-C4' energy: -84.566
flat angles C4'-P-C4' energy: -93.237
flat angles P-C4'-P energy: -56.848
tors. eta vs tors. theta energy: -109.300
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: 12
Temperature: 1.300000
Total energy: -1178.332011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.332011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.332011 (E_RNA)
where:
Base-Base interactions energy: -795.894
where: short stacking energy: -331.430
Base-Backbone interact. energy: -0.450
local terms energy: -381.987581
where:
bonds (distance) C4'-P energy: -79.249
bonds (distance) P-C4' energy: -82.969
flat angles C4'-P-C4' energy: -89.960
flat angles P-C4'-P energy: -47.030
tors. eta vs tors. theta energy: -82.780
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: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -1024.998539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.998539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.998539 (E_RNA)
where:
Base-Base interactions energy: -692.357
where: short stacking energy: -278.711
Base-Backbone interact. energy: -1.254
local terms energy: -331.387404
where:
bonds (distance) C4'-P energy: -82.498
bonds (distance) P-C4' energy: -64.901
flat angles C4'-P-C4' energy: -83.994
flat angles P-C4'-P energy: -39.935
tors. eta vs tors. theta energy: -60.060
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: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1785.468920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.468920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.468920 (E_RNA)
where:
Base-Base interactions energy: -1262.896
where: short stacking energy: -509.205
Base-Backbone interact. energy: -2.204
local terms energy: -520.369677
where:
bonds (distance) C4'-P energy: -98.238
bonds (distance) P-C4' energy: -92.085
flat angles C4'-P-C4' energy: -113.533
flat angles P-C4'-P energy: -78.044
tors. eta vs tors. theta energy: -138.470
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: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1707.334224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.334224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.334224 (E_RNA)
where:
Base-Base interactions energy: -1202.961
where: short stacking energy: -485.056
Base-Backbone interact. energy: -2.293
local terms energy: -502.080941
where:
bonds (distance) C4'-P energy: -93.175
bonds (distance) P-C4' energy: -110.598
flat angles C4'-P-C4' energy: -91.988
flat angles P-C4'-P energy: -67.539
tors. eta vs tors. theta energy: -138.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1592.920888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.920888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.920888 (E_RNA)
where:
Base-Base interactions energy: -1119.668
where: short stacking energy: -452.565
Base-Backbone interact. energy: -2.601
local terms energy: -470.651986
where:
bonds (distance) C4'-P energy: -82.034
bonds (distance) P-C4' energy: -88.686
flat angles C4'-P-C4' energy: -105.605
flat angles P-C4'-P energy: -76.246
tors. eta vs tors. theta energy: -118.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1557.014400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.014400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.014400 (E_RNA)
where:
Base-Base interactions energy: -1079.947
where: short stacking energy: -433.320
Base-Backbone interact. energy: -3.085
local terms energy: -473.982026
where:
bonds (distance) C4'-P energy: -90.575
bonds (distance) P-C4' energy: -92.206
flat angles C4'-P-C4' energy: -100.333
flat angles P-C4'-P energy: -68.794
tors. eta vs tors. theta energy: -122.075
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: 13
Temperature: 1.100000
Total energy: -1463.903388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.903388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.903388 (E_RNA)
where:
Base-Base interactions energy: -1007.244
where: short stacking energy: -426.121
Base-Backbone interact. energy: -3.161
local terms energy: -453.498213
where:
bonds (distance) C4'-P energy: -83.796
bonds (distance) P-C4' energy: -88.833
flat angles C4'-P-C4' energy: -97.742
flat angles P-C4'-P energy: -64.407
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: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1487.972106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.972106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.972106 (E_RNA)
where:
Base-Base interactions energy: -1067.546
where: short stacking energy: -415.291
Base-Backbone interact. energy: -2.040
local terms energy: -418.385627
where:
bonds (distance) C4'-P energy: -66.170
bonds (distance) P-C4' energy: -85.933
flat angles C4'-P-C4' energy: -96.438
flat angles P-C4'-P energy: -63.615
tors. eta vs tors. theta energy: -106.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1335.891288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.891288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.891288 (E_RNA)
where:
Base-Base interactions energy: -915.372
where: short stacking energy: -377.863
Base-Backbone interact. energy: -2.478
local terms energy: -418.041383
where:
bonds (distance) C4'-P energy: -65.069
bonds (distance) P-C4' energy: -98.800
flat angles C4'-P-C4' energy: -93.565
flat angles P-C4'-P energy: -51.660
tors. eta vs tors. theta energy: -108.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1280.929278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.929278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.929278 (E_RNA)
where:
Base-Base interactions energy: -876.386
where: short stacking energy: -366.750
Base-Backbone interact. energy: -2.462
local terms energy: -402.081635
where:
bonds (distance) C4'-P energy: -87.086
bonds (distance) P-C4' energy: -82.306
flat angles C4'-P-C4' energy: -84.784
flat angles P-C4'-P energy: -57.786
tors. eta vs tors. theta energy: -90.119
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: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1172.247341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.247341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.247341 (E_RNA)
where:
Base-Base interactions energy: -796.143
where: short stacking energy: -338.153
Base-Backbone interact. energy: -0.448
local terms energy: -375.656903
where:
bonds (distance) C4'-P energy: -76.363
bonds (distance) P-C4' energy: -79.468
flat angles C4'-P-C4' energy: -88.327
flat angles P-C4'-P energy: -54.415
tors. eta vs tors. theta energy: -77.085
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: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -1033.224692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.224692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.224692 (E_RNA)
where:
Base-Base interactions energy: -694.614
where: short stacking energy: -273.765
Base-Backbone interact. energy: 3.568
local terms energy: -342.178978
where:
bonds (distance) C4'-P energy: -78.921
bonds (distance) P-C4' energy: -85.491
flat angles C4'-P-C4' energy: -81.726
flat angles P-C4'-P energy: -46.787
tors. eta vs tors. theta energy: -49.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1781.920771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.920771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.920771 (E_RNA)
where:
Base-Base interactions energy: -1264.337
where: short stacking energy: -511.293
Base-Backbone interact. energy: -1.331
local terms energy: -516.252480
where:
bonds (distance) C4'-P energy: -97.223
bonds (distance) P-C4' energy: -105.777
flat angles C4'-P-C4' energy: -111.646
flat angles P-C4'-P energy: -63.373
tors. eta vs tors. theta energy: -138.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1669.226397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.226397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.226397 (E_RNA)
where:
Base-Base interactions energy: -1177.406
where: short stacking energy: -492.582
Base-Backbone interact. energy: -2.125
local terms energy: -489.695165
where:
bonds (distance) C4'-P energy: -87.373
bonds (distance) P-C4' energy: -93.059
flat angles C4'-P-C4' energy: -106.345
flat angles P-C4'-P energy: -71.746
tors. eta vs tors. theta energy: -131.172
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: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1593.811779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.811779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.811779 (E_RNA)
where:
Base-Base interactions energy: -1124.426
where: short stacking energy: -478.206
Base-Backbone interact. energy: -2.933
local terms energy: -466.452120
where:
bonds (distance) C4'-P energy: -77.272
bonds (distance) P-C4' energy: -98.500
flat angles C4'-P-C4' energy: -86.830
flat angles P-C4'-P energy: -73.960
tors. eta vs tors. theta energy: -129.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1541.034113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.034113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.034113 (E_RNA)
where:
Base-Base interactions energy: -1075.209
where: short stacking energy: -447.086
Base-Backbone interact. energy: -3.387
local terms energy: -462.438336
where:
bonds (distance) C4'-P energy: -90.175
bonds (distance) P-C4' energy: -78.703
flat angles C4'-P-C4' energy: -110.267
flat angles P-C4'-P energy: -66.194
tors. eta vs tors. theta energy: -117.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1587.443287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.443287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.443287 (E_RNA)
where:
Base-Base interactions energy: -1138.527
where: short stacking energy: -459.818
Base-Backbone interact. energy: -2.031
local terms energy: -446.884761
where:
bonds (distance) C4'-P energy: -78.101
bonds (distance) P-C4' energy: -74.866
flat angles C4'-P-C4' energy: -102.151
flat angles P-C4'-P energy: -67.955
tors. eta vs tors. theta energy: -123.813
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: 14
Temperature: 1.150000
Total energy: -1437.894215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.894215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.894215 (E_RNA)
where:
Base-Base interactions energy: -1001.282
where: short stacking energy: -424.002
Base-Backbone interact. energy: -2.253
local terms energy: -434.360161
where:
bonds (distance) C4'-P energy: -87.897
bonds (distance) P-C4' energy: -85.799
flat angles C4'-P-C4' energy: -100.089
flat angles P-C4'-P energy: -50.550
tors. eta vs tors. theta energy: -110.025
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: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1380.724056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.724056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.724056 (E_RNA)
where:
Base-Base interactions energy: -965.315
where: short stacking energy: -395.211
Base-Backbone interact. energy: -2.279
local terms energy: -413.129820
where:
bonds (distance) C4'-P energy: -72.699
bonds (distance) P-C4' energy: -84.129
flat angles C4'-P-C4' energy: -91.751
flat angles P-C4'-P energy: -59.633
tors. eta vs tors. theta energy: -104.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1297.939869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.939869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.939869 (E_RNA)
where:
Base-Base interactions energy: -910.726
where: short stacking energy: -384.445
Base-Backbone interact. energy: 0.300
local terms energy: -387.513374
where:
bonds (distance) C4'-P energy: -66.145
bonds (distance) P-C4' energy: -70.926
flat angles C4'-P-C4' energy: -79.761
flat angles P-C4'-P energy: -60.303
tors. eta vs tors. theta energy: -110.379
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: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1084.961837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.961837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.961837 (E_RNA)
where:
Base-Base interactions energy: -744.207
where: short stacking energy: -326.447
Base-Backbone interact. energy: -1.225
local terms energy: -339.529492
where:
bonds (distance) C4'-P energy: -78.251
bonds (distance) P-C4' energy: -77.117
flat angles C4'-P-C4' energy: -70.448
flat angles P-C4'-P energy: -57.722
tors. eta vs tors. theta energy: -55.992
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: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -1066.884586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.884586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.884586 (E_RNA)
where:
Base-Base interactions energy: -717.981
where: short stacking energy: -304.942
Base-Backbone interact. energy: 0.734
local terms energy: -349.637134
where:
bonds (distance) C4'-P energy: -73.975
bonds (distance) P-C4' energy: -92.307
flat angles C4'-P-C4' energy: -84.175
flat angles P-C4'-P energy: -40.333
tors. eta vs tors. theta energy: -58.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1776.577427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.577427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.577427 (E_RNA)
where:
Base-Base interactions energy: -1266.704
where: short stacking energy: -496.274
Base-Backbone interact. energy: -4.628
local terms energy: -505.245466
where:
bonds (distance) C4'-P energy: -93.724
bonds (distance) P-C4' energy: -93.811
flat angles C4'-P-C4' energy: -110.733
flat angles P-C4'-P energy: -78.206
tors. eta vs tors. theta energy: -128.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1679.737377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.737377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.737377 (E_RNA)
where:
Base-Base interactions energy: -1168.825
where: short stacking energy: -504.809
Base-Backbone interact. energy: -1.848
local terms energy: -509.064496
where:
bonds (distance) C4'-P energy: -83.592
bonds (distance) P-C4' energy: -95.460
flat angles C4'-P-C4' energy: -116.026
flat angles P-C4'-P energy: -76.868
tors. eta vs tors. theta energy: -137.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1592.608291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.608291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.608291 (E_RNA)
where:
Base-Base interactions energy: -1107.699
where: short stacking energy: -460.879
Base-Backbone interact. energy: -2.218
local terms energy: -482.692124
where:
bonds (distance) C4'-P energy: -88.103
bonds (distance) P-C4' energy: -96.322
flat angles C4'-P-C4' energy: -91.621
flat angles P-C4'-P energy: -77.773
tors. eta vs tors. theta energy: -128.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1557.866404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.866404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.866404 (E_RNA)
where:
Base-Base interactions energy: -1084.622
where: short stacking energy: -449.296
Base-Backbone interact. energy: -1.729
local terms energy: -471.515322
where:
bonds (distance) C4'-P energy: -98.976
bonds (distance) P-C4' energy: -91.050
flat angles C4'-P-C4' energy: -99.910
flat angles P-C4'-P energy: -64.842
tors. eta vs tors. theta energy: -116.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1548.149278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.149278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.149278 (E_RNA)
where:
Base-Base interactions energy: -1057.605
where: short stacking energy: -459.265
Base-Backbone interact. energy: -2.075
local terms energy: -488.468604
where:
bonds (distance) C4'-P energy: -91.241
bonds (distance) P-C4' energy: -93.013
flat angles C4'-P-C4' energy: -105.393
flat angles P-C4'-P energy: -70.185
tors. eta vs tors. theta energy: -128.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1439.964004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.964004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.964004 (E_RNA)
where:
Base-Base interactions energy: -978.612
where: short stacking energy: -416.998
Base-Backbone interact. energy: 0.972
local terms energy: -462.323991
where:
bonds (distance) C4'-P energy: -94.891
bonds (distance) P-C4' energy: -90.670
flat angles C4'-P-C4' energy: -100.107
flat angles P-C4'-P energy: -66.762
tors. eta vs tors. theta energy: -109.894
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: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1331.587866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.587866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.587866 (E_RNA)
where:
Base-Base interactions energy: -921.683
where: short stacking energy: -371.534
Base-Backbone interact. energy: -1.821
local terms energy: -408.083352
where:
bonds (distance) C4'-P energy: -79.986
bonds (distance) P-C4' energy: -99.648
flat angles C4'-P-C4' energy: -77.200
flat angles P-C4'-P energy: -59.198
tors. eta vs tors. theta energy: -92.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1347.680903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.680903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.680903 (E_RNA)
where:
Base-Base interactions energy: -952.755
where: short stacking energy: -384.069
Base-Backbone interact. energy: -0.533
local terms energy: -394.392332
where:
bonds (distance) C4'-P energy: -85.821
bonds (distance) P-C4' energy: -80.333
flat angles C4'-P-C4' energy: -79.341
flat angles P-C4'-P energy: -51.974
tors. eta vs tors. theta energy: -96.923
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: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1074.838937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.838937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.838937 (E_RNA)
where:
Base-Base interactions energy: -717.174
where: short stacking energy: -321.581
Base-Backbone interact. energy: -3.359
local terms energy: -354.305981
where:
bonds (distance) C4'-P energy: -86.305
bonds (distance) P-C4' energy: -71.643
flat angles C4'-P-C4' energy: -87.520
flat angles P-C4'-P energy: -42.965
tors. eta vs tors. theta energy: -65.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -1044.937986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.937986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.937986 (E_RNA)
where:
Base-Base interactions energy: -714.510
where: short stacking energy: -283.983
Base-Backbone interact. energy: -0.709
local terms energy: -329.719568
where:
bonds (distance) C4'-P energy: -66.560
bonds (distance) P-C4' energy: -82.283
flat angles C4'-P-C4' energy: -89.072
flat angles P-C4'-P energy: -36.103
tors. eta vs tors. theta energy: -55.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1797.599944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.599944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.599944 (E_RNA)
where:
Base-Base interactions energy: -1296.858
where: short stacking energy: -524.029
Base-Backbone interact. energy: -2.443
local terms energy: -498.298814
where:
bonds (distance) C4'-P energy: -98.468
bonds (distance) P-C4' energy: -90.436
flat angles C4'-P-C4' energy: -107.372
flat angles P-C4'-P energy: -65.472
tors. eta vs tors. theta energy: -136.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1681.020299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.020299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.020299 (E_RNA)
where:
Base-Base interactions energy: -1170.261
where: short stacking energy: -489.866
Base-Backbone interact. energy: -1.210
local terms energy: -509.549492
where:
bonds (distance) C4'-P energy: -93.255
bonds (distance) P-C4' energy: -100.625
flat angles C4'-P-C4' energy: -111.178
flat angles P-C4'-P energy: -65.959
tors. eta vs tors. theta energy: -138.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1646.118164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.118164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.118164 (E_RNA)
where:
Base-Base interactions energy: -1160.132
where: short stacking energy: -466.790
Base-Backbone interact. energy: -3.599
local terms energy: -482.386870
where:
bonds (distance) C4'-P energy: -78.430
bonds (distance) P-C4' energy: -94.084
flat angles C4'-P-C4' energy: -108.324
flat angles P-C4'-P energy: -76.797
tors. eta vs tors. theta energy: -124.751
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: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1569.449509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.449509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.449509 (E_RNA)
where:
Base-Base interactions energy: -1087.784
where: short stacking energy: -465.247
Base-Backbone interact. energy: 0.975
local terms energy: -482.640624
where:
bonds (distance) C4'-P energy: -76.611
bonds (distance) P-C4' energy: -96.812
flat angles C4'-P-C4' energy: -103.708
flat angles P-C4'-P energy: -71.150
tors. eta vs tors. theta energy: -134.360
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: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1573.123033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.123033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.123033 (E_RNA)
where:
Base-Base interactions energy: -1085.869
where: short stacking energy: -456.173
Base-Backbone interact. energy: -1.614
local terms energy: -485.640653
where:
bonds (distance) C4'-P energy: -70.730
bonds (distance) P-C4' energy: -97.113
flat angles C4'-P-C4' energy: -111.416
flat angles P-C4'-P energy: -71.753
tors. eta vs tors. theta energy: -134.629
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: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1452.103478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.103478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.103478 (E_RNA)
where:
Base-Base interactions energy: -1050.511
where: short stacking energy: -411.633
Base-Backbone interact. energy: -0.133
local terms energy: -401.458771
where:
bonds (distance) C4'-P energy: -71.800
bonds (distance) P-C4' energy: -73.637
flat angles C4'-P-C4' energy: -99.976
flat angles P-C4'-P energy: -57.621
tors. eta vs tors. theta energy: -98.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1301.481517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.481517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.481517 (E_RNA)
where:
Base-Base interactions energy: -894.466
where: short stacking energy: -372.389
Base-Backbone interact. energy: -1.672
local terms energy: -405.343397
where:
bonds (distance) C4'-P energy: -88.642
bonds (distance) P-C4' energy: -55.551
flat angles C4'-P-C4' energy: -101.350
flat angles P-C4'-P energy: -68.110
tors. eta vs tors. theta energy: -91.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1376.829603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.829603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.829603 (E_RNA)
where:
Base-Base interactions energy: -934.643
where: short stacking energy: -395.330
Base-Backbone interact. energy: -2.188
local terms energy: -439.998353
where:
bonds (distance) C4'-P energy: -94.141
bonds (distance) P-C4' energy: -73.162
flat angles C4'-P-C4' energy: -88.355
flat angles P-C4'-P energy: -79.805
tors. eta vs tors. theta energy: -104.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1073.121914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.121914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.121914 (E_RNA)
where:
Base-Base interactions energy: -716.351
where: short stacking energy: -312.655
Base-Backbone interact. energy: -3.153
local terms energy: -353.618359
where:
bonds (distance) C4'-P energy: -81.074
bonds (distance) P-C4' energy: -85.753
flat angles C4'-P-C4' energy: -70.354
flat angles P-C4'-P energy: -56.441
tors. eta vs tors. theta energy: -59.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -1003.097063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.097063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.097063 (E_RNA)
where:
Base-Base interactions energy: -679.935
where: short stacking energy: -292.451
Base-Backbone interact. energy: -1.692
local terms energy: -321.470152
where:
bonds (distance) C4'-P energy: -65.115
bonds (distance) P-C4' energy: -69.176
flat angles C4'-P-C4' energy: -73.647
flat angles P-C4'-P energy: -57.742
tors. eta vs tors. theta energy: -55.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1806.914131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.914131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.914131 (E_RNA)
where:
Base-Base interactions energy: -1307.136
where: short stacking energy: -532.737
Base-Backbone interact. energy: -0.081
local terms energy: -499.697224
where:
bonds (distance) C4'-P energy: -90.434
bonds (distance) P-C4' energy: -87.678
flat angles C4'-P-C4' energy: -111.992
flat angles P-C4'-P energy: -67.356
tors. eta vs tors. theta energy: -142.238
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: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1674.636522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.636522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.636522 (E_RNA)
where:
Base-Base interactions energy: -1167.282
where: short stacking energy: -488.828
Base-Backbone interact. energy: -2.880
local terms energy: -504.475122
where:
bonds (distance) C4'-P energy: -92.965
bonds (distance) P-C4' energy: -97.231
flat angles C4'-P-C4' energy: -108.911
flat angles P-C4'-P energy: -77.395
tors. eta vs tors. theta energy: -127.974
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: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1620.970298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.970298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.970298 (E_RNA)
where:
Base-Base interactions energy: -1127.512
where: short stacking energy: -469.201
Base-Backbone interact. energy: -1.808
local terms energy: -491.649727
where:
bonds (distance) C4'-P energy: -91.212
bonds (distance) P-C4' energy: -99.818
flat angles C4'-P-C4' energy: -106.931
flat angles P-C4'-P energy: -71.025
tors. eta vs tors. theta energy: -122.663
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: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1572.034710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.034710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.034710 (E_RNA)
where:
Base-Base interactions energy: -1090.899
where: short stacking energy: -444.792
Base-Backbone interact. energy: -0.546
local terms energy: -480.590362
where:
bonds (distance) C4'-P energy: -90.070
bonds (distance) P-C4' energy: -97.691
flat angles C4'-P-C4' energy: -97.613
flat angles P-C4'-P energy: -73.381
tors. eta vs tors. theta energy: -121.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1565.359780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.359780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.359780 (E_RNA)
where:
Base-Base interactions energy: -1098.782
where: short stacking energy: -432.933
Base-Backbone interact. energy: 2.592
local terms energy: -469.170186
where:
bonds (distance) C4'-P energy: -85.958
bonds (distance) P-C4' energy: -85.756
flat angles C4'-P-C4' energy: -112.364
flat angles P-C4'-P energy: -63.802
tors. eta vs tors. theta energy: -121.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1468.094148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.094148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.094148 (E_RNA)
where:
Base-Base interactions energy: -1013.480
where: short stacking energy: -430.600
Base-Backbone interact. energy: -1.679
local terms energy: -452.935104
where:
bonds (distance) C4'-P energy: -89.958
bonds (distance) P-C4' energy: -84.199
flat angles C4'-P-C4' energy: -97.778
flat angles P-C4'-P energy: -71.449
tors. eta vs tors. theta energy: -109.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1318.030296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.030296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.030296 (E_RNA)
where:
Base-Base interactions energy: -906.754
where: short stacking energy: -379.448
Base-Backbone interact. energy: -1.634
local terms energy: -409.641531
where:
bonds (distance) C4'-P energy: -82.739
bonds (distance) P-C4' energy: -83.550
flat angles C4'-P-C4' energy: -81.774
flat angles P-C4'-P energy: -55.465
tors. eta vs tors. theta energy: -106.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1357.211364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.211364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.211364 (E_RNA)
where:
Base-Base interactions energy: -951.626
where: short stacking energy: -410.013
Base-Backbone interact. energy: -3.334
local terms energy: -402.251314
where:
bonds (distance) C4'-P energy: -77.123
bonds (distance) P-C4' energy: -71.242
flat angles C4'-P-C4' energy: -95.377
flat angles P-C4'-P energy: -49.901
tors. eta vs tors. theta energy: -108.608
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: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1065.014719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.014719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.014719 (E_RNA)
where:
Base-Base interactions energy: -712.003
where: short stacking energy: -311.284
Base-Backbone interact. energy: 10.172
local terms energy: -363.183260
where:
bonds (distance) C4'-P energy: -75.345
bonds (distance) P-C4' energy: -81.886
flat angles C4'-P-C4' energy: -89.121
flat angles P-C4'-P energy: -60.023
tors. eta vs tors. theta energy: -56.808
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: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -968.863723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.863723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.863723 (E_RNA)
where:
Base-Base interactions energy: -625.042
where: short stacking energy: -268.600
Base-Backbone interact. energy: 6.520
local terms energy: -350.341597
where:
bonds (distance) C4'-P energy: -84.644
bonds (distance) P-C4' energy: -83.376
flat angles C4'-P-C4' energy: -79.146
flat angles P-C4'-P energy: -53.657
tors. eta vs tors. theta energy: -49.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1777.839830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.839830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.839830 (E_RNA)
where:
Base-Base interactions energy: -1260.912
where: short stacking energy: -512.155
Base-Backbone interact. energy: -0.704
local terms energy: -516.223837
where:
bonds (distance) C4'-P energy: -106.402
bonds (distance) P-C4' energy: -96.295
flat angles C4'-P-C4' energy: -111.997
flat angles P-C4'-P energy: -69.838
tors. eta vs tors. theta energy: -131.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1697.835581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.835581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.835581 (E_RNA)
where:
Base-Base interactions energy: -1197.633
where: short stacking energy: -504.999
Base-Backbone interact. energy: -1.961
local terms energy: -498.242030
where:
bonds (distance) C4'-P energy: -73.186
bonds (distance) P-C4' energy: -101.770
flat angles C4'-P-C4' energy: -113.840
flat angles P-C4'-P energy: -71.136
tors. eta vs tors. theta energy: -138.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1619.385229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.385229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.385229 (E_RNA)
where:
Base-Base interactions energy: -1144.236
where: short stacking energy: -476.606
Base-Backbone interact. energy: -1.660
local terms energy: -473.489227
where:
bonds (distance) C4'-P energy: -86.870
bonds (distance) P-C4' energy: -90.076
flat angles C4'-P-C4' energy: -109.516
flat angles P-C4'-P energy: -75.318
tors. eta vs tors. theta energy: -111.708
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: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1596.336306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.336306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.336306 (E_RNA)
where:
Base-Base interactions energy: -1109.783
where: short stacking energy: -473.573
Base-Backbone interact. energy: -2.844
local terms energy: -483.709369
where:
bonds (distance) C4'-P energy: -93.854
bonds (distance) P-C4' energy: -80.264
flat angles C4'-P-C4' energy: -107.203
flat angles P-C4'-P energy: -68.511
tors. eta vs tors. theta energy: -133.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1528.388984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.388984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.388984 (E_RNA)
where:
Base-Base interactions energy: -1072.524
where: short stacking energy: -432.607
Base-Backbone interact. energy: -2.020
local terms energy: -453.845206
where:
bonds (distance) C4'-P energy: -76.776
bonds (distance) P-C4' energy: -85.635
flat angles C4'-P-C4' energy: -110.847
flat angles P-C4'-P energy: -59.166
tors. eta vs tors. theta energy: -121.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1503.342641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.342641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.342641 (E_RNA)
where:
Base-Base interactions energy: -1032.701
where: short stacking energy: -412.151
Base-Backbone interact. energy: 1.115
local terms energy: -471.756634
where:
bonds (distance) C4'-P energy: -87.484
bonds (distance) P-C4' energy: -82.486
flat angles C4'-P-C4' energy: -101.302
flat angles P-C4'-P energy: -83.314
tors. eta vs tors. theta energy: -117.171
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: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1323.166190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.166190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.166190 (E_RNA)
where:
Base-Base interactions energy: -910.927
where: short stacking energy: -373.775
Base-Backbone interact. energy: 8.390
local terms energy: -420.629113
where:
bonds (distance) C4'-P energy: -83.004
bonds (distance) P-C4' energy: -95.653
flat angles C4'-P-C4' energy: -90.380
flat angles P-C4'-P energy: -56.526
tors. eta vs tors. theta energy: -95.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1257.996250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.996250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.996250 (E_RNA)
where:
Base-Base interactions energy: -879.127
where: short stacking energy: -381.845
Base-Backbone interact. energy: 6.781
local terms energy: -385.651024
where:
bonds (distance) C4'-P energy: -67.588
bonds (distance) P-C4' energy: -88.728
flat angles C4'-P-C4' energy: -87.906
flat angles P-C4'-P energy: -55.087
tors. eta vs tors. theta energy: -86.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1112.129013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.129013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.129013 (E_RNA)
where:
Base-Base interactions energy: -737.477
where: short stacking energy: -318.301
Base-Backbone interact. energy: -1.236
local terms energy: -373.415510
where:
bonds (distance) C4'-P energy: -82.791
bonds (distance) P-C4' energy: -84.473
flat angles C4'-P-C4' energy: -89.685
flat angles P-C4'-P energy: -47.330
tors. eta vs tors. theta energy: -69.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -961.379822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.379822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.379822 (E_RNA)
where:
Base-Base interactions energy: -645.910
where: short stacking energy: -248.968
Base-Backbone interact. energy: -0.174
local terms energy: -315.295590
where:
bonds (distance) C4'-P energy: -78.621
bonds (distance) P-C4' energy: -80.060
flat angles C4'-P-C4' energy: -87.404
flat angles P-C4'-P energy: -29.372
tors. eta vs tors. theta energy: -39.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1799.015756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.015756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.015756 (E_RNA)
where:
Base-Base interactions energy: -1267.562
where: short stacking energy: -523.501
Base-Backbone interact. energy: -6.030
local terms energy: -525.423331
where:
bonds (distance) C4'-P energy: -106.006
bonds (distance) P-C4' energy: -94.279
flat angles C4'-P-C4' energy: -116.911
flat angles P-C4'-P energy: -75.344
tors. eta vs tors. theta energy: -132.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1692.531513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.531513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.531513 (E_RNA)
where:
Base-Base interactions energy: -1179.836
where: short stacking energy: -489.822
Base-Backbone interact. energy: -1.564
local terms energy: -511.131012
where:
bonds (distance) C4'-P energy: -87.659
bonds (distance) P-C4' energy: -107.508
flat angles C4'-P-C4' energy: -105.874
flat angles P-C4'-P energy: -73.639
tors. eta vs tors. theta energy: -136.451
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: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1636.139084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.139084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.139084 (E_RNA)
where:
Base-Base interactions energy: -1167.886
where: short stacking energy: -479.541
Base-Backbone interact. energy: -3.059
local terms energy: -465.194134
where:
bonds (distance) C4'-P energy: -72.423
bonds (distance) P-C4' energy: -89.866
flat angles C4'-P-C4' energy: -90.932
flat angles P-C4'-P energy: -75.921
tors. eta vs tors. theta energy: -136.052
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: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1591.619372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.619372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.619372 (E_RNA)
where:
Base-Base interactions energy: -1106.294
where: short stacking energy: -478.669
Base-Backbone interact. energy: -0.240
local terms energy: -485.085607
where:
bonds (distance) C4'-P energy: -87.533
bonds (distance) P-C4' energy: -80.839
flat angles C4'-P-C4' energy: -109.913
flat angles P-C4'-P energy: -66.533
tors. eta vs tors. theta energy: -140.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1550.819848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.819848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.819848 (E_RNA)
where:
Base-Base interactions energy: -1076.879
where: short stacking energy: -465.388
Base-Backbone interact. energy: -1.592
local terms energy: -472.348108
where:
bonds (distance) C4'-P energy: -79.534
bonds (distance) P-C4' energy: -96.533
flat angles C4'-P-C4' energy: -105.349
flat angles P-C4'-P energy: -59.578
tors. eta vs tors. theta energy: -131.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1515.877672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.877672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.877672 (E_RNA)
where:
Base-Base interactions energy: -1082.746
where: short stacking energy: -446.149
Base-Backbone interact. energy: 0.051
local terms energy: -433.183111
where:
bonds (distance) C4'-P energy: -76.750
bonds (distance) P-C4' energy: -82.085
flat angles C4'-P-C4' energy: -95.130
flat angles P-C4'-P energy: -64.721
tors. eta vs tors. theta energy: -114.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1397.380367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.380367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.380367 (E_RNA)
where:
Base-Base interactions energy: -967.435
where: short stacking energy: -391.551
Base-Backbone interact. energy: -3.228
local terms energy: -426.717351
where:
bonds (distance) C4'-P energy: -87.292
bonds (distance) P-C4' energy: -98.752
flat angles C4'-P-C4' energy: -89.992
flat angles P-C4'-P energy: -50.297
tors. eta vs tors. theta energy: -100.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1143.021748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.021748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.021748 (E_RNA)
where:
Base-Base interactions energy: -772.433
where: short stacking energy: -322.584
Base-Backbone interact. energy: -2.209
local terms energy: -368.379232
where:
bonds (distance) C4'-P energy: -77.957
bonds (distance) P-C4' energy: -78.230
flat angles C4'-P-C4' energy: -86.220
flat angles P-C4'-P energy: -52.173
tors. eta vs tors. theta energy: -73.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1185.853834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.853834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.853834 (E_RNA)
where:
Base-Base interactions energy: -821.081
where: short stacking energy: -345.584
Base-Backbone interact. energy: -1.227
local terms energy: -363.545346
where:
bonds (distance) C4'-P energy: -70.333
bonds (distance) P-C4' energy: -75.573
flat angles C4'-P-C4' energy: -93.250
flat angles P-C4'-P energy: -55.728
tors. eta vs tors. theta energy: -68.662
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: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -996.644742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.644742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.644742 (E_RNA)
where:
Base-Base interactions energy: -664.411
where: short stacking energy: -291.566
Base-Backbone interact. energy: 3.917
local terms energy: -336.150112
where:
bonds (distance) C4'-P energy: -66.276
bonds (distance) P-C4' energy: -79.419
flat angles C4'-P-C4' energy: -75.614
flat angles P-C4'-P energy: -40.351
tors. eta vs tors. theta energy: -74.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1787.234380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.234380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.234380 (E_RNA)
where:
Base-Base interactions energy: -1288.259
where: short stacking energy: -519.124
Base-Backbone interact. energy: -2.062
local terms energy: -496.912683
where:
bonds (distance) C4'-P energy: -90.144
bonds (distance) P-C4' energy: -96.878
flat angles C4'-P-C4' energy: -105.428
flat angles P-C4'-P energy: -67.916
tors. eta vs tors. theta energy: -136.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1663.081824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.081824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.081824 (E_RNA)
where:
Base-Base interactions energy: -1171.451
where: short stacking energy: -485.143
Base-Backbone interact. energy: -1.453
local terms energy: -490.177559
where:
bonds (distance) C4'-P energy: -87.270
bonds (distance) P-C4' energy: -92.716
flat angles C4'-P-C4' energy: -98.912
flat angles P-C4'-P energy: -79.411
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: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1608.764576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.764576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.764576 (E_RNA)
where:
Base-Base interactions energy: -1125.125
where: short stacking energy: -470.473
Base-Backbone interact. energy: -0.669
local terms energy: -482.970481
where:
bonds (distance) C4'-P energy: -82.295
bonds (distance) P-C4' energy: -100.397
flat angles C4'-P-C4' energy: -105.374
flat angles P-C4'-P energy: -69.679
tors. eta vs tors. theta energy: -125.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1629.858823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.858823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.858823 (E_RNA)
where:
Base-Base interactions energy: -1103.151
where: short stacking energy: -468.825
Base-Backbone interact. energy: -1.094
local terms energy: -525.613232
where:
bonds (distance) C4'-P energy: -96.327
bonds (distance) P-C4' energy: -104.103
flat angles C4'-P-C4' energy: -116.715
flat angles P-C4'-P energy: -77.752
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: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1532.954436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.954436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.954436 (E_RNA)
where:
Base-Base interactions energy: -1075.018
where: short stacking energy: -460.024
Base-Backbone interact. energy: -0.676
local terms energy: -457.260111
where:
bonds (distance) C4'-P energy: -87.540
bonds (distance) P-C4' energy: -77.354
flat angles C4'-P-C4' energy: -104.688
flat angles P-C4'-P energy: -65.776
tors. eta vs tors. theta energy: -121.901
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: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1483.495266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.495266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.495266 (E_RNA)
where:
Base-Base interactions energy: -1028.842
where: short stacking energy: -403.717
Base-Backbone interact. energy: 1.376
local terms energy: -456.029481
where:
bonds (distance) C4'-P energy: -80.347
bonds (distance) P-C4' energy: -91.372
flat angles C4'-P-C4' energy: -101.561
flat angles P-C4'-P energy: -71.106
tors. eta vs tors. theta energy: -111.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1377.261199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.261199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.261199 (E_RNA)
where:
Base-Base interactions energy: -956.640
where: short stacking energy: -390.349
Base-Backbone interact. energy: 0.468
local terms energy: -421.088896
where:
bonds (distance) C4'-P energy: -86.253
bonds (distance) P-C4' energy: -85.376
flat angles C4'-P-C4' energy: -89.869
flat angles P-C4'-P energy: -54.813
tors. eta vs tors. theta energy: -104.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1173.366760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.366760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.366760 (E_RNA)
where:
Base-Base interactions energy: -784.240
where: short stacking energy: -345.484
Base-Backbone interact. energy: -1.506
local terms energy: -387.620315
where:
bonds (distance) C4'-P energy: -68.771
bonds (distance) P-C4' energy: -70.066
flat angles C4'-P-C4' energy: -96.333
flat angles P-C4'-P energy: -58.515
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: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1120.560487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.560487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.560487 (E_RNA)
where:
Base-Base interactions energy: -765.105
where: short stacking energy: -301.003
Base-Backbone interact. energy: -2.045
local terms energy: -353.411167
where:
bonds (distance) C4'-P energy: -70.472
bonds (distance) P-C4' energy: -79.856
flat angles C4'-P-C4' energy: -91.202
flat angles P-C4'-P energy: -57.107
tors. eta vs tors. theta energy: -54.774
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: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -1001.910911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.910911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.910911 (E_RNA)
where:
Base-Base interactions energy: -673.424
where: short stacking energy: -297.534
Base-Backbone interact. energy: -0.666
local terms energy: -327.821119
where:
bonds (distance) C4'-P energy: -63.693
bonds (distance) P-C4' energy: -92.216
flat angles C4'-P-C4' energy: -78.312
flat angles P-C4'-P energy: -36.891
tors. eta vs tors. theta energy: -56.710
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: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1792.044663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.044663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.044663 (E_RNA)
where:
Base-Base interactions energy: -1280.033
where: short stacking energy: -541.024
Base-Backbone interact. energy: 0.307
local terms energy: -512.318699
where:
bonds (distance) C4'-P energy: -89.808
bonds (distance) P-C4' energy: -93.556
flat angles C4'-P-C4' energy: -105.264
flat angles P-C4'-P energy: -82.943
tors. eta vs tors. theta energy: -140.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1676.677644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.677644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.677644 (E_RNA)
where:
Base-Base interactions energy: -1192.579
where: short stacking energy: -489.558
Base-Backbone interact. energy: -1.660
local terms energy: -482.439234
where:
bonds (distance) C4'-P energy: -94.493
bonds (distance) P-C4' energy: -88.082
flat angles C4'-P-C4' energy: -101.918
flat angles P-C4'-P energy: -66.980
tors. eta vs tors. theta energy: -130.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1664.232333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.232333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.232333 (E_RNA)
where:
Base-Base interactions energy: -1181.608
where: short stacking energy: -470.155
Base-Backbone interact. energy: -0.279
local terms energy: -482.345496
where:
bonds (distance) C4'-P energy: -88.898
bonds (distance) P-C4' energy: -84.930
flat angles C4'-P-C4' energy: -112.772
flat angles P-C4'-P energy: -68.491
tors. eta vs tors. theta energy: -127.253
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: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1588.999651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.999651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.999651 (E_RNA)
where:
Base-Base interactions energy: -1118.688
where: short stacking energy: -470.467
Base-Backbone interact. energy: -2.369
local terms energy: -467.943372
where:
bonds (distance) C4'-P energy: -80.180
bonds (distance) P-C4' energy: -75.402
flat angles C4'-P-C4' energy: -101.409
flat angles P-C4'-P energy: -80.222
tors. eta vs tors. theta energy: -130.731
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: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1512.120576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.120576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.120576 (E_RNA)
where:
Base-Base interactions energy: -1064.145
where: short stacking energy: -436.160
Base-Backbone interact. energy: -2.870
local terms energy: -445.105989
where:
bonds (distance) C4'-P energy: -75.424
bonds (distance) P-C4' energy: -87.411
flat angles C4'-P-C4' energy: -100.688
flat angles P-C4'-P energy: -62.459
tors. eta vs tors. theta energy: -119.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1495.308792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.308792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.308792 (E_RNA)
where:
Base-Base interactions energy: -1048.745
where: short stacking energy: -423.704
Base-Backbone interact. energy: -1.946
local terms energy: -444.618225
where:
bonds (distance) C4'-P energy: -98.557
bonds (distance) P-C4' energy: -85.316
flat angles C4'-P-C4' energy: -90.154
flat angles P-C4'-P energy: -58.021
tors. eta vs tors. theta energy: -112.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1425.384989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.384989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.384989 (E_RNA)
where:
Base-Base interactions energy: -1002.318
where: short stacking energy: -430.247
Base-Backbone interact. energy: -1.235
local terms energy: -421.832688
where:
bonds (distance) C4'-P energy: -76.379
bonds (distance) P-C4' energy: -77.624
flat angles C4'-P-C4' energy: -95.903
flat angles P-C4'-P energy: -55.606
tors. eta vs tors. theta energy: -116.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1186.307245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.307245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.307245 (E_RNA)
where:
Base-Base interactions energy: -806.883
where: short stacking energy: -338.216
Base-Backbone interact. energy: 1.511
local terms energy: -380.934909
where:
bonds (distance) C4'-P energy: -69.570
bonds (distance) P-C4' energy: -93.870
flat angles C4'-P-C4' energy: -81.132
flat angles P-C4'-P energy: -61.684
tors. eta vs tors. theta energy: -74.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1102.059252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.059252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.059252 (E_RNA)
where:
Base-Base interactions energy: -741.463
where: short stacking energy: -318.908
Base-Backbone interact. energy: 5.382
local terms energy: -365.978548
where:
bonds (distance) C4'-P energy: -83.268
bonds (distance) P-C4' energy: -79.710
flat angles C4'-P-C4' energy: -88.924
flat angles P-C4'-P energy: -45.964
tors. eta vs tors. theta energy: -68.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -1049.960804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.960804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.960804 (E_RNA)
where:
Base-Base interactions energy: -709.988
where: short stacking energy: -312.339
Base-Backbone interact. energy: -3.409
local terms energy: -336.563678
where:
bonds (distance) C4'-P energy: -70.751
bonds (distance) P-C4' energy: -74.606
flat angles C4'-P-C4' energy: -73.207
flat angles P-C4'-P energy: -51.060
tors. eta vs tors. theta energy: -66.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1800.192123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.192123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.192123 (E_RNA)
where:
Base-Base interactions energy: -1253.582
where: short stacking energy: -524.707
Base-Backbone interact. energy: -3.177
local terms energy: -543.433619
where:
bonds (distance) C4'-P energy: -96.677
bonds (distance) P-C4' energy: -105.560
flat angles C4'-P-C4' energy: -117.886
flat angles P-C4'-P energy: -78.334
tors. eta vs tors. theta energy: -144.976
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: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1690.317975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.317975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.317975 (E_RNA)
where:
Base-Base interactions energy: -1202.496
where: short stacking energy: -496.464
Base-Backbone interact. energy: -0.525
local terms energy: -487.297388
where:
bonds (distance) C4'-P energy: -91.970
bonds (distance) P-C4' energy: -89.624
flat angles C4'-P-C4' energy: -110.873
flat angles P-C4'-P energy: -65.204
tors. eta vs tors. theta energy: -129.626
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: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1672.529664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.529664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.529664 (E_RNA)
where:
Base-Base interactions energy: -1184.699
where: short stacking energy: -483.499
Base-Backbone interact. energy: -1.452
local terms energy: -486.378963
where:
bonds (distance) C4'-P energy: -84.651
bonds (distance) P-C4' energy: -84.122
flat angles C4'-P-C4' energy: -109.721
flat angles P-C4'-P energy: -73.764
tors. eta vs tors. theta energy: -134.121
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: 6
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1580.637887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.637887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.637887 (E_RNA)
where:
Base-Base interactions energy: -1119.615
where: short stacking energy: -449.998
Base-Backbone interact. energy: -0.157
local terms energy: -460.865515
where:
bonds (distance) C4'-P energy: -82.165
bonds (distance) P-C4' energy: -80.431
flat angles C4'-P-C4' energy: -102.921
flat angles P-C4'-P energy: -71.629
tors. eta vs tors. theta energy: -123.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1546.086213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.086213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.086213 (E_RNA)
where:
Base-Base interactions energy: -1097.156
where: short stacking energy: -452.319
Base-Backbone interact. energy: -0.674
local terms energy: -448.256210
where:
bonds (distance) C4'-P energy: -75.390
bonds (distance) P-C4' energy: -82.753
flat angles C4'-P-C4' energy: -94.073
flat angles P-C4'-P energy: -65.235
tors. eta vs tors. theta energy: -130.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1510.276716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.276716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.276716 (E_RNA)
where:
Base-Base interactions energy: -1078.023
where: short stacking energy: -464.246
Base-Backbone interact. energy: 2.403
local terms energy: -434.656346
where:
bonds (distance) C4'-P energy: -84.143
bonds (distance) P-C4' energy: -69.917
flat angles C4'-P-C4' energy: -100.070
flat angles P-C4'-P energy: -60.068
tors. eta vs tors. theta energy: -120.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1432.434253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.434253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.434253 (E_RNA)
where:
Base-Base interactions energy: -997.978
where: short stacking energy: -415.786
Base-Backbone interact. energy: -0.244
local terms energy: -434.213024
where:
bonds (distance) C4'-P energy: -76.462
bonds (distance) P-C4' energy: -88.917
flat angles C4'-P-C4' energy: -95.496
flat angles P-C4'-P energy: -63.645
tors. eta vs tors. theta energy: -109.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1216.613883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.613883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.613883 (E_RNA)
where:
Base-Base interactions energy: -831.770
where: short stacking energy: -336.213
Base-Backbone interact. energy: -2.018
local terms energy: -382.825998
where:
bonds (distance) C4'-P energy: -88.318
bonds (distance) P-C4' energy: -78.937
flat angles C4'-P-C4' energy: -91.043
flat angles P-C4'-P energy: -56.668
tors. eta vs tors. theta energy: -67.860
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: 22
Temperature: 1.300000
Total energy: -1094.407846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.407846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.407846 (E_RNA)
where:
Base-Base interactions energy: -740.364
where: short stacking energy: -310.990
Base-Backbone interact. energy: 2.087
local terms energy: -356.130057
where:
bonds (distance) C4'-P energy: -69.928
bonds (distance) P-C4' energy: -78.387
flat angles C4'-P-C4' energy: -88.068
flat angles P-C4'-P energy: -49.217
tors. eta vs tors. theta energy: -70.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -1010.989138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.989138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.989138 (E_RNA)
where:
Base-Base interactions energy: -666.992
where: short stacking energy: -271.491
Base-Backbone interact. energy: 1.807
local terms energy: -345.804382
where:
bonds (distance) C4'-P energy: -83.300
bonds (distance) P-C4' energy: -79.787
flat angles C4'-P-C4' energy: -81.418
flat angles P-C4'-P energy: -63.283
tors. eta vs tors. theta energy: -38.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1812.313360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.313360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.313360 (E_RNA)
where:
Base-Base interactions energy: -1278.241
where: short stacking energy: -507.204
Base-Backbone interact. energy: -3.020
local terms energy: -531.051837
where:
bonds (distance) C4'-P energy: -99.488
bonds (distance) P-C4' energy: -107.055
flat angles C4'-P-C4' energy: -109.069
flat angles P-C4'-P energy: -80.462
tors. eta vs tors. theta energy: -134.977
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: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1708.998505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.998505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.998505 (E_RNA)
where:
Base-Base interactions energy: -1212.252
where: short stacking energy: -489.643
Base-Backbone interact. energy: 2.016
local terms energy: -498.762164
where:
bonds (distance) C4'-P energy: -84.254
bonds (distance) P-C4' energy: -101.102
flat angles C4'-P-C4' energy: -107.272
flat angles P-C4'-P energy: -77.418
tors. eta vs tors. theta energy: -128.715
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: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1631.870021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.870021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.870021 (E_RNA)
where:
Base-Base interactions energy: -1142.873
where: short stacking energy: -463.176
Base-Backbone interact. energy: -3.403
local terms energy: -485.593612
where:
bonds (distance) C4'-P energy: -88.650
bonds (distance) P-C4' energy: -97.763
flat angles C4'-P-C4' energy: -96.755
flat angles P-C4'-P energy: -73.040
tors. eta vs tors. theta energy: -129.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1578.645122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.645122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.645122 (E_RNA)
where:
Base-Base interactions energy: -1095.179
where: short stacking energy: -457.099
Base-Backbone interact. energy: -1.039
local terms energy: -482.427788
where:
bonds (distance) C4'-P energy: -91.612
bonds (distance) P-C4' energy: -97.181
flat angles C4'-P-C4' energy: -101.578
flat angles P-C4'-P energy: -70.830
tors. eta vs tors. theta energy: -121.226
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: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1541.102583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.102583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.102583 (E_RNA)
where:
Base-Base interactions energy: -1090.959
where: short stacking energy: -439.291
Base-Backbone interact. energy: -2.711
local terms energy: -447.432988
where:
bonds (distance) C4'-P energy: -85.684
bonds (distance) P-C4' energy: -85.087
flat angles C4'-P-C4' energy: -100.765
flat angles P-C4'-P energy: -60.898
tors. eta vs tors. theta energy: -114.999
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: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1502.762281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.762281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.762281 (E_RNA)
where:
Base-Base interactions energy: -1034.032
where: short stacking energy: -431.623
Base-Backbone interact. energy: -0.003
local terms energy: -468.727316
where:
bonds (distance) C4'-P energy: -91.967
bonds (distance) P-C4' energy: -92.355
flat angles C4'-P-C4' energy: -95.856
flat angles P-C4'-P energy: -71.785
tors. eta vs tors. theta energy: -116.764
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: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1445.271627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.271627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.271627 (E_RNA)
where:
Base-Base interactions energy: -992.051
where: short stacking energy: -419.643
Base-Backbone interact. energy: -0.902
local terms energy: -452.319008
where:
bonds (distance) C4'-P energy: -86.618
bonds (distance) P-C4' energy: -81.306
flat angles C4'-P-C4' energy: -91.975
flat angles P-C4'-P energy: -66.264
tors. eta vs tors. theta energy: -126.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1284.417537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.417537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.417537 (E_RNA)
where:
Base-Base interactions energy: -882.386
where: short stacking energy: -360.767
Base-Backbone interact. energy: -2.330
local terms energy: -399.701119
where:
bonds (distance) C4'-P energy: -79.204
bonds (distance) P-C4' energy: -80.604
flat angles C4'-P-C4' energy: -82.927
flat angles P-C4'-P energy: -70.579
tors. eta vs tors. theta energy: -86.388
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: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1067.761311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.761311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.761311 (E_RNA)
where:
Base-Base interactions energy: -732.450
where: short stacking energy: -312.174
Base-Backbone interact. energy: -1.560
local terms energy: -333.751414
where:
bonds (distance) C4'-P energy: -75.801
bonds (distance) P-C4' energy: -86.953
flat angles C4'-P-C4' energy: -75.133
flat angles P-C4'-P energy: -36.568
tors. eta vs tors. theta energy: -59.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -979.092550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.092550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.092550 (E_RNA)
where:
Base-Base interactions energy: -638.930
where: short stacking energy: -253.980
Base-Backbone interact. energy: 3.351
local terms energy: -343.513031
where:
bonds (distance) C4'-P energy: -68.392
bonds (distance) P-C4' energy: -90.668
flat angles C4'-P-C4' energy: -82.483
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: -58.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1802.756412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.756412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.756412 (E_RNA)
where:
Base-Base interactions energy: -1303.304
where: short stacking energy: -528.592
Base-Backbone interact. energy: -1.370
local terms energy: -498.082535
where:
bonds (distance) C4'-P energy: -87.834
bonds (distance) P-C4' energy: -92.741
flat angles C4'-P-C4' energy: -110.402
flat angles P-C4'-P energy: -61.637
tors. eta vs tors. theta energy: -145.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1700.105261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.105261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.105261 (E_RNA)
where:
Base-Base interactions energy: -1181.950
where: short stacking energy: -486.451
Base-Backbone interact. energy: 4.283
local terms energy: -522.438184
where:
bonds (distance) C4'-P energy: -88.482
bonds (distance) P-C4' energy: -94.003
flat angles C4'-P-C4' energy: -123.260
flat angles P-C4'-P energy: -82.194
tors. eta vs tors. theta energy: -134.499
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: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1623.864059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.864059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.864059 (E_RNA)
where:
Base-Base interactions energy: -1139.900
where: short stacking energy: -475.120
Base-Backbone interact. energy: -0.094
local terms energy: -483.870056
where:
bonds (distance) C4'-P energy: -98.320
bonds (distance) P-C4' energy: -96.519
flat angles C4'-P-C4' energy: -88.830
flat angles P-C4'-P energy: -73.296
tors. eta vs tors. theta energy: -126.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1625.072898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.072898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.072898 (E_RNA)
where:
Base-Base interactions energy: -1140.659
where: short stacking energy: -468.810
Base-Backbone interact. energy: -1.089
local terms energy: -483.325477
where:
bonds (distance) C4'-P energy: -86.335
bonds (distance) P-C4' energy: -96.749
flat angles C4'-P-C4' energy: -94.143
flat angles P-C4'-P energy: -73.559
tors. eta vs tors. theta energy: -132.540
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: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1550.105593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.105593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.105593 (E_RNA)
where:
Base-Base interactions energy: -1096.453
where: short stacking energy: -452.285
Base-Backbone interact. energy: -1.706
local terms energy: -451.946689
where:
bonds (distance) C4'-P energy: -79.338
bonds (distance) P-C4' energy: -83.311
flat angles C4'-P-C4' energy: -97.760
flat angles P-C4'-P energy: -61.223
tors. eta vs tors. theta energy: -130.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1479.505412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.505412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.505412 (E_RNA)
where:
Base-Base interactions energy: -1025.886
where: short stacking energy: -402.077
Base-Backbone interact. energy: -1.357
local terms energy: -452.262571
where:
bonds (distance) C4'-P energy: -92.053
bonds (distance) P-C4' energy: -104.189
flat angles C4'-P-C4' energy: -85.504
flat angles P-C4'-P energy: -63.324
tors. eta vs tors. theta energy: -107.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1421.230517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.230517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.230517 (E_RNA)
where:
Base-Base interactions energy: -987.829
where: short stacking energy: -401.111
Base-Backbone interact. energy: -0.837
local terms energy: -432.564736
where:
bonds (distance) C4'-P energy: -62.910
bonds (distance) P-C4' energy: -89.081
flat angles C4'-P-C4' energy: -100.945
flat angles P-C4'-P energy: -62.962
tors. eta vs tors. theta energy: -116.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1220.598367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.598367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.598367 (E_RNA)
where:
Base-Base interactions energy: -841.467
where: short stacking energy: -341.260
Base-Backbone interact. energy: -1.412
local terms energy: -377.719282
where:
bonds (distance) C4'-P energy: -80.095
bonds (distance) P-C4' energy: -84.901
flat angles C4'-P-C4' energy: -87.085
flat angles P-C4'-P energy: -43.165
tors. eta vs tors. theta energy: -82.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1059.598883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.598883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.598883 (E_RNA)
where:
Base-Base interactions energy: -700.943
where: short stacking energy: -321.906
Base-Backbone interact. energy: -1.680
local terms energy: -356.976190
where:
bonds (distance) C4'-P energy: -79.050
bonds (distance) P-C4' energy: -75.150
flat angles C4'-P-C4' energy: -76.225
flat angles P-C4'-P energy: -60.809
tors. eta vs tors. theta energy: -65.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -1059.899957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.899957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.899957 (E_RNA)
where:
Base-Base interactions energy: -734.340
where: short stacking energy: -296.347
Base-Backbone interact. energy: -3.891
local terms energy: -321.669094
where:
bonds (distance) C4'-P energy: -62.980
bonds (distance) P-C4' energy: -68.356
flat angles C4'-P-C4' energy: -88.157
flat angles P-C4'-P energy: -45.256
tors. eta vs tors. theta energy: -56.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1842.697911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.697911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.697911 (E_RNA)
where:
Base-Base interactions energy: -1307.954
where: short stacking energy: -536.866
Base-Backbone interact. energy: -2.994
local terms energy: -531.749203
where:
bonds (distance) C4'-P energy: -110.600
bonds (distance) P-C4' energy: -94.418
flat angles C4'-P-C4' energy: -112.102
flat angles P-C4'-P energy: -70.829
tors. eta vs tors. theta energy: -143.799
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: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1712.278606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.278606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.278606 (E_RNA)
where:
Base-Base interactions energy: -1208.038
where: short stacking energy: -507.372
Base-Backbone interact. energy: 0.822
local terms energy: -505.062939
where:
bonds (distance) C4'-P energy: -94.724
bonds (distance) P-C4' energy: -94.020
flat angles C4'-P-C4' energy: -108.392
flat angles P-C4'-P energy: -70.173
tors. eta vs tors. theta energy: -137.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1632.515978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.515978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.515978 (E_RNA)
where:
Base-Base interactions energy: -1150.807
where: short stacking energy: -461.621
Base-Backbone interact. energy: 1.149
local terms energy: -482.857669
where:
bonds (distance) C4'-P energy: -84.015
bonds (distance) P-C4' energy: -87.363
flat angles C4'-P-C4' energy: -103.617
flat angles P-C4'-P energy: -75.472
tors. eta vs tors. theta energy: -132.390
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: 25
Temperature: 1.050000
Total energy: -1644.812284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.812284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.812284 (E_RNA)
where:
Base-Base interactions energy: -1165.118
where: short stacking energy: -497.282
Base-Backbone interact. energy: -1.475
local terms energy: -478.218755
where:
bonds (distance) C4'-P energy: -93.889
bonds (distance) P-C4' energy: -82.875
flat angles C4'-P-C4' energy: -94.757
flat angles P-C4'-P energy: -64.667
tors. eta vs tors. theta energy: -142.031
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: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1543.588056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.588056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.588056 (E_RNA)
where:
Base-Base interactions energy: -1063.646
where: short stacking energy: -446.660
Base-Backbone interact. energy: -2.303
local terms energy: -477.639169
where:
bonds (distance) C4'-P energy: -91.376
bonds (distance) P-C4' energy: -88.934
flat angles C4'-P-C4' energy: -97.987
flat angles P-C4'-P energy: -67.999
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: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1500.173685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.173685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.173685 (E_RNA)
where:
Base-Base interactions energy: -1043.788
where: short stacking energy: -428.125
Base-Backbone interact. energy: -1.410
local terms energy: -454.975173
where:
bonds (distance) C4'-P energy: -83.277
bonds (distance) P-C4' energy: -74.056
flat angles C4'-P-C4' energy: -106.587
flat angles P-C4'-P energy: -72.407
tors. eta vs tors. theta energy: -118.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1465.972105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.972105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.972105 (E_RNA)
where:
Base-Base interactions energy: -1028.534
where: short stacking energy: -436.436
Base-Backbone interact. energy: -1.525
local terms energy: -435.912691
where:
bonds (distance) C4'-P energy: -82.352
bonds (distance) P-C4' energy: -77.868
flat angles C4'-P-C4' energy: -84.770
flat angles P-C4'-P energy: -58.167
tors. eta vs tors. theta energy: -132.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1216.028866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.028866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.028866 (E_RNA)
where:
Base-Base interactions energy: -798.674
where: short stacking energy: -324.596
Base-Backbone interact. energy: 0.920
local terms energy: -418.274686
where:
bonds (distance) C4'-P energy: -89.358
bonds (distance) P-C4' energy: -89.737
flat angles C4'-P-C4' energy: -96.622
flat angles P-C4'-P energy: -61.987
tors. eta vs tors. theta energy: -80.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1057.405083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.405083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.405083 (E_RNA)
where:
Base-Base interactions energy: -699.314
where: short stacking energy: -297.728
Base-Backbone interact. energy: 2.237
local terms energy: -360.328580
where:
bonds (distance) C4'-P energy: -96.793
bonds (distance) P-C4' energy: -82.348
flat angles C4'-P-C4' energy: -76.237
flat angles P-C4'-P energy: -53.799
tors. eta vs tors. theta energy: -51.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -1064.088590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.088590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.088590 (E_RNA)
where:
Base-Base interactions energy: -707.804
where: short stacking energy: -285.776
Base-Backbone interact. energy: -0.674
local terms energy: -355.610574
where:
bonds (distance) C4'-P energy: -71.100
bonds (distance) P-C4' energy: -91.891
flat angles C4'-P-C4' energy: -82.635
flat angles P-C4'-P energy: -41.559
tors. eta vs tors. theta energy: -68.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1810.812957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.812957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.812957 (E_RNA)
where:
Base-Base interactions energy: -1288.113
where: short stacking energy: -507.195
Base-Backbone interact. energy: 0.366
local terms energy: -523.066193
where:
bonds (distance) C4'-P energy: -93.610
bonds (distance) P-C4' energy: -97.298
flat angles C4'-P-C4' energy: -111.821
flat angles P-C4'-P energy: -80.920
tors. eta vs tors. theta energy: -139.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1701.303251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.303251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.303251 (E_RNA)
where:
Base-Base interactions energy: -1192.708
where: short stacking energy: -489.879
Base-Backbone interact. energy: -1.443
local terms energy: -507.152329
where:
bonds (distance) C4'-P energy: -96.316
bonds (distance) P-C4' energy: -93.108
flat angles C4'-P-C4' energy: -111.872
flat angles P-C4'-P energy: -75.423
tors. eta vs tors. theta energy: -130.434
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: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1705.078641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.078641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.078641 (E_RNA)
where:
Base-Base interactions energy: -1195.078
where: short stacking energy: -517.407
Base-Backbone interact. energy: -1.460
local terms energy: -508.541030
where:
bonds (distance) C4'-P energy: -96.794
bonds (distance) P-C4' energy: -91.412
flat angles C4'-P-C4' energy: -97.615
flat angles P-C4'-P energy: -73.081
tors. eta vs tors. theta energy: -149.639
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: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1643.312065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.312065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.312065 (E_RNA)
where:
Base-Base interactions energy: -1162.520
where: short stacking energy: -485.686
Base-Backbone interact. energy: -2.962
local terms energy: -477.829810
where:
bonds (distance) C4'-P energy: -83.194
bonds (distance) P-C4' energy: -82.049
flat angles C4'-P-C4' energy: -106.630
flat angles P-C4'-P energy: -69.273
tors. eta vs tors. theta energy: -136.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1562.207740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.207740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.207740 (E_RNA)
where:
Base-Base interactions energy: -1104.114
where: short stacking energy: -460.769
Base-Backbone interact. energy: 1.067
local terms energy: -459.160547
where:
bonds (distance) C4'-P energy: -77.698
bonds (distance) P-C4' energy: -92.821
flat angles C4'-P-C4' energy: -97.311
flat angles P-C4'-P energy: -66.457
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: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1533.393864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.393864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.393864 (E_RNA)
where:
Base-Base interactions energy: -1074.068
where: short stacking energy: -456.074
Base-Backbone interact. energy: -1.645
local terms energy: -457.680532
where:
bonds (distance) C4'-P energy: -75.597
bonds (distance) P-C4' energy: -84.876
flat angles C4'-P-C4' energy: -97.411
flat angles P-C4'-P energy: -67.005
tors. eta vs tors. theta energy: -132.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1430.418805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.418805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.418805 (E_RNA)
where:
Base-Base interactions energy: -1017.407
where: short stacking energy: -427.488
Base-Backbone interact. energy: -1.070
local terms energy: -411.941810
where:
bonds (distance) C4'-P energy: -85.464
bonds (distance) P-C4' energy: -90.062
flat angles C4'-P-C4' energy: -91.294
flat angles P-C4'-P energy: -41.693
tors. eta vs tors. theta energy: -103.428
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: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1160.571432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.571432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.571432 (E_RNA)
where:
Base-Base interactions energy: -800.931
where: short stacking energy: -334.982
Base-Backbone interact. energy: -1.253
local terms energy: -358.387925
where:
bonds (distance) C4'-P energy: -71.474
bonds (distance) P-C4' energy: -75.001
flat angles C4'-P-C4' energy: -81.902
flat angles P-C4'-P energy: -62.312
tors. eta vs tors. theta energy: -67.699
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: 26
Temperature: 1.300000
Total energy: -1082.457886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.457886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.457886 (E_RNA)
where:
Base-Base interactions energy: -751.437
where: short stacking energy: -330.410
Base-Backbone interact. energy: -2.023
local terms energy: -328.997953
where:
bonds (distance) C4'-P energy: -77.474
bonds (distance) P-C4' energy: -69.668
flat angles C4'-P-C4' energy: -83.747
flat angles P-C4'-P energy: -30.277
tors. eta vs tors. theta energy: -67.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -1029.982205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.982205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.982205 (E_RNA)
where:
Base-Base interactions energy: -722.314
where: short stacking energy: -304.906
Base-Backbone interact. energy: 0.366
local terms energy: -308.034020
where:
bonds (distance) C4'-P energy: -66.564
bonds (distance) P-C4' energy: -60.096
flat angles C4'-P-C4' energy: -76.404
flat angles P-C4'-P energy: -50.628
tors. eta vs tors. theta energy: -54.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1821.003691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.003691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.003691 (E_RNA)
where:
Base-Base interactions energy: -1293.267
where: short stacking energy: -518.517
Base-Backbone interact. energy: -1.863
local terms energy: -525.874436
where:
bonds (distance) C4'-P energy: -87.448
bonds (distance) P-C4' energy: -107.780
flat angles C4'-P-C4' energy: -110.723
flat angles P-C4'-P energy: -79.004
tors. eta vs tors. theta energy: -140.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1763.792634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.792634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.792634 (E_RNA)
where:
Base-Base interactions energy: -1245.363
where: short stacking energy: -520.358
Base-Backbone interact. energy: 3.712
local terms energy: -522.141611
where:
bonds (distance) C4'-P energy: -91.855
bonds (distance) P-C4' energy: -88.803
flat angles C4'-P-C4' energy: -111.044
flat angles P-C4'-P energy: -82.302
tors. eta vs tors. theta energy: -148.139
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: 27
Temperature: 1.000000
Total energy: -1681.726129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.726129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.726129 (E_RNA)
where:
Base-Base interactions energy: -1165.603
where: short stacking energy: -479.341
Base-Backbone interact. energy: -1.554
local terms energy: -514.569362
where:
bonds (distance) C4'-P energy: -96.388
bonds (distance) P-C4' energy: -96.226
flat angles C4'-P-C4' energy: -102.327
flat angles P-C4'-P energy: -78.120
tors. eta vs tors. theta energy: -141.509
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: 27
Temperature: 1.050000
Total energy: -1614.972354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.972354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.972354 (E_RNA)
where:
Base-Base interactions energy: -1150.826
where: short stacking energy: -469.049
Base-Backbone interact. energy: -1.299
local terms energy: -462.847474
where:
bonds (distance) C4'-P energy: -83.068
bonds (distance) P-C4' energy: -76.482
flat angles C4'-P-C4' energy: -103.806
flat angles P-C4'-P energy: -70.990
tors. eta vs tors. theta energy: -128.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1515.592441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.592441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.592441 (E_RNA)
where:
Base-Base interactions energy: -1078.572
where: short stacking energy: -418.680
Base-Backbone interact. energy: -1.922
local terms energy: -435.098521
where:
bonds (distance) C4'-P energy: -73.797
bonds (distance) P-C4' energy: -74.767
flat angles C4'-P-C4' energy: -103.038
flat angles P-C4'-P energy: -69.610
tors. eta vs tors. theta energy: -113.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1512.884911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.884911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.884911 (E_RNA)
where:
Base-Base interactions energy: -1044.491
where: short stacking energy: -427.347
Base-Backbone interact. energy: -2.525
local terms energy: -465.868408
where:
bonds (distance) C4'-P energy: -82.239
bonds (distance) P-C4' energy: -88.229
flat angles C4'-P-C4' energy: -108.142
flat angles P-C4'-P energy: -74.595
tors. eta vs tors. theta energy: -112.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1400.728752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.728752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.728752 (E_RNA)
where:
Base-Base interactions energy: -960.292
where: short stacking energy: -401.985
Base-Backbone interact. energy: 0.568
local terms energy: -441.004414
where:
bonds (distance) C4'-P energy: -78.717
bonds (distance) P-C4' energy: -84.869
flat angles C4'-P-C4' energy: -101.074
flat angles P-C4'-P energy: -71.417
tors. eta vs tors. theta energy: -104.928
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: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1232.302356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.302356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.302356 (E_RNA)
where:
Base-Base interactions energy: -827.740
where: short stacking energy: -352.481
Base-Backbone interact. energy: -1.973
local terms energy: -402.589543
where:
bonds (distance) C4'-P energy: -85.372
bonds (distance) P-C4' energy: -78.892
flat angles C4'-P-C4' energy: -90.349
flat angles P-C4'-P energy: -65.429
tors. eta vs tors. theta energy: -82.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1083.827237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.827237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.827237 (E_RNA)
where:
Base-Base interactions energy: -728.928
where: short stacking energy: -301.165
Base-Backbone interact. energy: 0.102
local terms energy: -355.001850
where:
bonds (distance) C4'-P energy: -81.576
bonds (distance) P-C4' energy: -76.600
flat angles C4'-P-C4' energy: -77.673
flat angles P-C4'-P energy: -49.948
tors. eta vs tors. theta energy: -69.204
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: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -1026.172571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.172571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.172571 (E_RNA)
where:
Base-Base interactions energy: -727.411
where: short stacking energy: -313.653
Base-Backbone interact. energy: 4.535
local terms energy: -303.297075
where:
bonds (distance) C4'-P energy: -72.465
bonds (distance) P-C4' energy: -51.184
flat angles C4'-P-C4' energy: -78.688
flat angles P-C4'-P energy: -41.536
tors. eta vs tors. theta energy: -59.425
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: 28
Temperature: 0.900000
Total energy: -1780.444187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.444187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.444187 (E_RNA)
where:
Base-Base interactions energy: -1250.664
where: short stacking energy: -516.535
Base-Backbone interact. energy: -1.784
local terms energy: -527.995951
where:
bonds (distance) C4'-P energy: -95.782
bonds (distance) P-C4' energy: -103.604
flat angles C4'-P-C4' energy: -115.209
flat angles P-C4'-P energy: -73.968
tors. eta vs tors. theta energy: -139.434
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: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1768.098844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.098844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.098844 (E_RNA)
where:
Base-Base interactions energy: -1257.833
where: short stacking energy: -507.971
Base-Backbone interact. energy: -1.449
local terms energy: -508.816829
where:
bonds (distance) C4'-P energy: -98.878
bonds (distance) P-C4' energy: -92.740
flat angles C4'-P-C4' energy: -108.950
flat angles P-C4'-P energy: -80.233
tors. eta vs tors. theta energy: -128.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1656.416328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.416328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.416328 (E_RNA)
where:
Base-Base interactions energy: -1163.437
where: short stacking energy: -489.820
Base-Backbone interact. energy: -1.353
local terms energy: -491.625585
where:
bonds (distance) C4'-P energy: -93.651
bonds (distance) P-C4' energy: -87.025
flat angles C4'-P-C4' energy: -119.206
flat angles P-C4'-P energy: -64.841
tors. eta vs tors. theta energy: -126.902
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: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1635.151339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.151339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.151339 (E_RNA)
where:
Base-Base interactions energy: -1127.390
where: short stacking energy: -482.396
Base-Backbone interact. energy: -0.911
local terms energy: -506.850112
where:
bonds (distance) C4'-P energy: -102.523
bonds (distance) P-C4' energy: -86.727
flat angles C4'-P-C4' energy: -106.994
flat angles P-C4'-P energy: -68.931
tors. eta vs tors. theta energy: -141.675
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: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1615.687151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.687151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.687151 (E_RNA)
where:
Base-Base interactions energy: -1119.869
where: short stacking energy: -462.710
Base-Backbone interact. energy: -3.370
local terms energy: -492.448396
where:
bonds (distance) C4'-P energy: -92.549
bonds (distance) P-C4' energy: -88.095
flat angles C4'-P-C4' energy: -109.772
flat angles P-C4'-P energy: -68.256
tors. eta vs tors. theta energy: -133.776
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: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1496.800309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.800309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.800309 (E_RNA)
where:
Base-Base interactions energy: -1062.534
where: short stacking energy: -430.891
Base-Backbone interact. energy: -1.132
local terms energy: -433.134033
where:
bonds (distance) C4'-P energy: -80.242
bonds (distance) P-C4' energy: -78.286
flat angles C4'-P-C4' energy: -97.166
flat angles P-C4'-P energy: -61.389
tors. eta vs tors. theta energy: -116.050
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: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1390.722716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.722716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.722716 (E_RNA)
where:
Base-Base interactions energy: -966.895
where: short stacking energy: -423.296
Base-Backbone interact. energy: 0.472
local terms energy: -424.299307
where:
bonds (distance) C4'-P energy: -80.042
bonds (distance) P-C4' energy: -72.929
flat angles C4'-P-C4' energy: -99.284
flat angles P-C4'-P energy: -63.242
tors. eta vs tors. theta energy: -108.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1196.041692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.041692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.041692 (E_RNA)
where:
Base-Base interactions energy: -788.283
where: short stacking energy: -326.422
Base-Backbone interact. energy: 0.179
local terms energy: -407.937051
where:
bonds (distance) C4'-P energy: -79.185
bonds (distance) P-C4' energy: -95.060
flat angles C4'-P-C4' energy: -87.358
flat angles P-C4'-P energy: -71.317
tors. eta vs tors. theta energy: -75.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1126.270465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.270465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.270465 (E_RNA)
where:
Base-Base interactions energy: -757.906
where: short stacking energy: -330.742
Base-Backbone interact. energy: 0.345
local terms energy: -368.709847
where:
bonds (distance) C4'-P energy: -65.990
bonds (distance) P-C4' energy: -89.403
flat angles C4'-P-C4' energy: -90.242
flat angles P-C4'-P energy: -39.845
tors. eta vs tors. theta energy: -83.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -1062.457378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.457378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.457378 (E_RNA)
where:
Base-Base interactions energy: -709.997
where: short stacking energy: -297.171
Base-Backbone interact. energy: -0.752
local terms energy: -351.708439
where:
bonds (distance) C4'-P energy: -79.000
bonds (distance) P-C4' energy: -88.265
flat angles C4'-P-C4' energy: -64.739
flat angles P-C4'-P energy: -56.776
tors. eta vs tors. theta energy: -62.929
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: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1769.375019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.375019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.375019 (E_RNA)
where:
Base-Base interactions energy: -1223.451
where: short stacking energy: -530.944
Base-Backbone interact. energy: -2.930
local terms energy: -542.994433
where:
bonds (distance) C4'-P energy: -93.891
bonds (distance) P-C4' energy: -100.024
flat angles C4'-P-C4' energy: -114.134
flat angles P-C4'-P energy: -84.054
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: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1761.019236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.019236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.019236 (E_RNA)
where:
Base-Base interactions energy: -1242.057
where: short stacking energy: -505.041
Base-Backbone interact. energy: -2.508
local terms energy: -516.454039
where:
bonds (distance) C4'-P energy: -105.703
bonds (distance) P-C4' energy: -95.052
flat angles C4'-P-C4' energy: -108.400
flat angles P-C4'-P energy: -69.439
tors. eta vs tors. theta energy: -137.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1659.226649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.226649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.226649 (E_RNA)
where:
Base-Base interactions energy: -1158.651
where: short stacking energy: -492.268
Base-Backbone interact. energy: 0.690
local terms energy: -501.265344
where:
bonds (distance) C4'-P energy: -90.243
bonds (distance) P-C4' energy: -92.265
flat angles C4'-P-C4' energy: -114.810
flat angles P-C4'-P energy: -67.409
tors. eta vs tors. theta energy: -136.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1671.629521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.629521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.629521 (E_RNA)
where:
Base-Base interactions energy: -1172.639
where: short stacking energy: -491.991
Base-Backbone interact. energy: -4.110
local terms energy: -494.879808
where:
bonds (distance) C4'-P energy: -85.120
bonds (distance) P-C4' energy: -96.347
flat angles C4'-P-C4' energy: -104.847
flat angles P-C4'-P energy: -72.211
tors. eta vs tors. theta energy: -136.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1550.167552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.167552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.167552 (E_RNA)
where:
Base-Base interactions energy: -1083.474
where: short stacking energy: -451.126
Base-Backbone interact. energy: -3.404
local terms energy: -463.289353
where:
bonds (distance) C4'-P energy: -86.144
bonds (distance) P-C4' energy: -95.952
flat angles C4'-P-C4' energy: -100.648
flat angles P-C4'-P energy: -58.612
tors. eta vs tors. theta energy: -121.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1503.962697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.962697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.962697 (E_RNA)
where:
Base-Base interactions energy: -1090.160
where: short stacking energy: -452.032
Base-Backbone interact. energy: 4.098
local terms energy: -417.900489
where:
bonds (distance) C4'-P energy: -89.571
bonds (distance) P-C4' energy: -63.897
flat angles C4'-P-C4' energy: -88.928
flat angles P-C4'-P energy: -60.004
tors. eta vs tors. theta energy: -115.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1436.639333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.639333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.639333 (E_RNA)
where:
Base-Base interactions energy: -982.423
where: short stacking energy: -434.101
Base-Backbone interact. energy: -2.405
local terms energy: -451.811983
where:
bonds (distance) C4'-P energy: -85.432
bonds (distance) P-C4' energy: -101.537
flat angles C4'-P-C4' energy: -92.125
flat angles P-C4'-P energy: -54.314
tors. eta vs tors. theta energy: -118.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1245.870112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.870112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.870112 (E_RNA)
where:
Base-Base interactions energy: -866.634
where: short stacking energy: -367.305
Base-Backbone interact. energy: -2.267
local terms energy: -376.969117
where:
bonds (distance) C4'-P energy: -70.037
bonds (distance) P-C4' energy: -90.643
flat angles C4'-P-C4' energy: -89.444
flat angles P-C4'-P energy: -48.260
tors. eta vs tors. theta energy: -78.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1104.249985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.249985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.249985 (E_RNA)
where:
Base-Base interactions energy: -758.543
where: short stacking energy: -336.259
Base-Backbone interact. energy: -0.448
local terms energy: -345.259829
where:
bonds (distance) C4'-P energy: -67.839
bonds (distance) P-C4' energy: -76.364
flat angles C4'-P-C4' energy: -91.148
flat angles P-C4'-P energy: -39.571
tors. eta vs tors. theta energy: -70.337
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: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -1038.642806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.642806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.642806 (E_RNA)
where:
Base-Base interactions energy: -678.782
where: short stacking energy: -306.525
Base-Backbone interact. energy: -1.540
local terms energy: -358.320687
where:
bonds (distance) C4'-P energy: -76.042
bonds (distance) P-C4' energy: -71.940
flat angles C4'-P-C4' energy: -85.834
flat angles P-C4'-P energy: -44.609
tors. eta vs tors. theta energy: -79.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1802.195769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.195769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.195769 (E_RNA)
where:
Base-Base interactions energy: -1261.881
where: short stacking energy: -489.232
Base-Backbone interact. energy: -0.535
local terms energy: -539.778899
where:
bonds (distance) C4'-P energy: -103.544
bonds (distance) P-C4' energy: -105.122
flat angles C4'-P-C4' energy: -111.747
flat angles P-C4'-P energy: -76.098
tors. eta vs tors. theta energy: -143.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1749.641771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.641771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.641771 (E_RNA)
where:
Base-Base interactions energy: -1258.973
where: short stacking energy: -525.247
Base-Backbone interact. energy: 3.749
local terms energy: -494.418165
where:
bonds (distance) C4'-P energy: -86.186
bonds (distance) P-C4' energy: -90.337
flat angles C4'-P-C4' energy: -102.009
flat angles P-C4'-P energy: -67.592
tors. eta vs tors. theta energy: -148.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1712.393237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.393237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.393237 (E_RNA)
where:
Base-Base interactions energy: -1212.419
where: short stacking energy: -500.757
Base-Backbone interact. energy: -1.871
local terms energy: -498.103205
where:
bonds (distance) C4'-P energy: -94.845
bonds (distance) P-C4' energy: -93.822
flat angles C4'-P-C4' energy: -107.843
flat angles P-C4'-P energy: -64.898
tors. eta vs tors. theta energy: -136.695
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: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1625.698521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.698521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.698521 (E_RNA)
where:
Base-Base interactions energy: -1146.101
where: short stacking energy: -485.017
Base-Backbone interact. energy: -2.243
local terms energy: -477.353823
where:
bonds (distance) C4'-P energy: -83.620
bonds (distance) P-C4' energy: -83.500
flat angles C4'-P-C4' energy: -95.948
flat angles P-C4'-P energy: -85.162
tors. eta vs tors. theta energy: -129.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1509.342418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.342418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.342418 (E_RNA)
where:
Base-Base interactions energy: -1047.516
where: short stacking energy: -436.455
Base-Backbone interact. energy: -0.677
local terms energy: -461.149589
where:
bonds (distance) C4'-P energy: -94.765
bonds (distance) P-C4' energy: -85.702
flat angles C4'-P-C4' energy: -107.025
flat angles P-C4'-P energy: -66.467
tors. eta vs tors. theta energy: -107.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1505.254267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.254267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.254267 (E_RNA)
where:
Base-Base interactions energy: -1051.040
where: short stacking energy: -402.953
Base-Backbone interact. energy: 0.011
local terms energy: -454.225902
where:
bonds (distance) C4'-P energy: -86.823
bonds (distance) P-C4' energy: -92.384
flat angles C4'-P-C4' energy: -97.686
flat angles P-C4'-P energy: -61.858
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: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1441.897339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.897339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.897339 (E_RNA)
where:
Base-Base interactions energy: -987.067
where: short stacking energy: -408.716
Base-Backbone interact. energy: -0.599
local terms energy: -454.231355
where:
bonds (distance) C4'-P energy: -78.927
bonds (distance) P-C4' energy: -90.141
flat angles C4'-P-C4' energy: -102.803
flat angles P-C4'-P energy: -68.108
tors. eta vs tors. theta energy: -114.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1231.093590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.093590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.093590 (E_RNA)
where:
Base-Base interactions energy: -824.315
where: short stacking energy: -341.446
Base-Backbone interact. energy: -1.538
local terms energy: -405.240243
where:
bonds (distance) C4'-P energy: -71.968
bonds (distance) P-C4' energy: -99.479
flat angles C4'-P-C4' energy: -97.020
flat angles P-C4'-P energy: -58.943
tors. eta vs tors. theta energy: -77.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1071.785989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.785989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.785989 (E_RNA)
where:
Base-Base interactions energy: -733.727
where: short stacking energy: -333.770
Base-Backbone interact. energy: -0.553
local terms energy: -337.505823
where:
bonds (distance) C4'-P energy: -69.088
bonds (distance) P-C4' energy: -70.868
flat angles C4'-P-C4' energy: -91.693
flat angles P-C4'-P energy: -39.004
tors. eta vs tors. theta energy: -66.853
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: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -1021.895949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.895949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.895949 (E_RNA)
where:
Base-Base interactions energy: -679.947
where: short stacking energy: -272.873
Base-Backbone interact. energy: -1.899
local terms energy: -340.049559
where:
bonds (distance) C4'-P energy: -72.605
bonds (distance) P-C4' energy: -84.438
flat angles C4'-P-C4' energy: -67.357
flat angles P-C4'-P energy: -56.190
tors. eta vs tors. theta energy: -59.461
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: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1775.955048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.955048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.955048 (E_RNA)
where:
Base-Base interactions energy: -1257.284
where: short stacking energy: -511.488
Base-Backbone interact. energy: -3.418
local terms energy: -515.252690
where:
bonds (distance) C4'-P energy: -99.223
bonds (distance) P-C4' energy: -99.917
flat angles C4'-P-C4' energy: -104.880
flat angles P-C4'-P energy: -75.932
tors. eta vs tors. theta energy: -135.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1770.250553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.250553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.250553 (E_RNA)
where:
Base-Base interactions energy: -1257.679
where: short stacking energy: -519.729
Base-Backbone interact. energy: -2.232
local terms energy: -510.340276
where:
bonds (distance) C4'-P energy: -96.142
bonds (distance) P-C4' energy: -95.848
flat angles C4'-P-C4' energy: -105.494
flat angles P-C4'-P energy: -70.255
tors. eta vs tors. theta energy: -142.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1752.903149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.903149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.903149 (E_RNA)
where:
Base-Base interactions energy: -1238.543
where: short stacking energy: -520.035
Base-Backbone interact. energy: 0.310
local terms energy: -514.670144
where:
bonds (distance) C4'-P energy: -97.270
bonds (distance) P-C4' energy: -88.807
flat angles C4'-P-C4' energy: -108.069
flat angles P-C4'-P energy: -69.690
tors. eta vs tors. theta energy: -150.835
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: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1625.790767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.790767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.790767 (E_RNA)
where:
Base-Base interactions energy: -1161.986
where: short stacking energy: -481.336
Base-Backbone interact. energy: -2.600
local terms energy: -461.205044
where:
bonds (distance) C4'-P energy: -78.536
bonds (distance) P-C4' energy: -96.126
flat angles C4'-P-C4' energy: -95.867
flat angles P-C4'-P energy: -58.537
tors. eta vs tors. theta energy: -132.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1522.280161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.280161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.280161 (E_RNA)
where:
Base-Base interactions energy: -1052.132
where: short stacking energy: -427.302
Base-Backbone interact. energy: -2.257
local terms energy: -467.891752
where:
bonds (distance) C4'-P energy: -99.362
bonds (distance) P-C4' energy: -91.839
flat angles C4'-P-C4' energy: -88.478
flat angles P-C4'-P energy: -70.003
tors. eta vs tors. theta energy: -118.209
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: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1512.797646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.797646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.797646 (E_RNA)
where:
Base-Base interactions energy: -1074.426
where: short stacking energy: -449.532
Base-Backbone interact. energy: 1.348
local terms energy: -439.719908
where:
bonds (distance) C4'-P energy: -68.448
bonds (distance) P-C4' energy: -84.929
flat angles C4'-P-C4' energy: -96.624
flat angles P-C4'-P energy: -59.053
tors. eta vs tors. theta energy: -130.666
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: 31
Temperature: 1.200000
Total energy: -1422.059560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.059560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.059560 (E_RNA)
where:
Base-Base interactions energy: -968.517
where: short stacking energy: -385.799
Base-Backbone interact. energy: -0.342
local terms energy: -453.200289
where:
bonds (distance) C4'-P energy: -79.814
bonds (distance) P-C4' energy: -89.411
flat angles C4'-P-C4' energy: -102.081
flat angles P-C4'-P energy: -73.630
tors. eta vs tors. theta energy: -108.263
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: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1296.383944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.383944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.383944 (E_RNA)
where:
Base-Base interactions energy: -901.827
where: short stacking energy: -357.778
Base-Backbone interact. energy: -0.861
local terms energy: -393.696123
where:
bonds (distance) C4'-P energy: -82.704
bonds (distance) P-C4' energy: -79.937
flat angles C4'-P-C4' energy: -86.386
flat angles P-C4'-P energy: -55.498
tors. eta vs tors. theta energy: -89.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1063.990267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.990267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.990267 (E_RNA)
where:
Base-Base interactions energy: -703.499
where: short stacking energy: -318.911
Base-Backbone interact. energy: -0.272
local terms energy: -360.219728
where:
bonds (distance) C4'-P energy: -67.031
bonds (distance) P-C4' energy: -74.355
flat angles C4'-P-C4' energy: -94.229
flat angles P-C4'-P energy: -50.305
tors. eta vs tors. theta energy: -74.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -1032.699128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.699128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.699128 (E_RNA)
where:
Base-Base interactions energy: -689.799
where: short stacking energy: -290.425
Base-Backbone interact. energy: -1.806
local terms energy: -341.093885
where:
bonds (distance) C4'-P energy: -73.512
bonds (distance) P-C4' energy: -85.830
flat angles C4'-P-C4' energy: -77.979
flat angles P-C4'-P energy: -43.212
tors. eta vs tors. theta energy: -60.561
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: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1761.712682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.712682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.712682 (E_RNA)
where:
Base-Base interactions energy: -1227.162
where: short stacking energy: -500.314
Base-Backbone interact. energy: -2.876
local terms energy: -531.674846
where:
bonds (distance) C4'-P energy: -100.616
bonds (distance) P-C4' energy: -101.757
flat angles C4'-P-C4' energy: -108.136
flat angles P-C4'-P energy: -84.000
tors. eta vs tors. theta energy: -137.165
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: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1764.037633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.037633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.037633 (E_RNA)
where:
Base-Base interactions energy: -1249.775
where: short stacking energy: -519.802
Base-Backbone interact. energy: -2.522
local terms energy: -511.740366
where:
bonds (distance) C4'-P energy: -101.114
bonds (distance) P-C4' energy: -83.474
flat angles C4'-P-C4' energy: -107.002
flat angles P-C4'-P energy: -78.447
tors. eta vs tors. theta energy: -141.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1696.396067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.396067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.396067 (E_RNA)
where:
Base-Base interactions energy: -1187.732
where: short stacking energy: -503.456
Base-Backbone interact. energy: -1.657
local terms energy: -507.006356
where:
bonds (distance) C4'-P energy: -96.742
bonds (distance) P-C4' energy: -91.134
flat angles C4'-P-C4' energy: -101.099
flat angles P-C4'-P energy: -69.554
tors. eta vs tors. theta energy: -148.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1620.105864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.105864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.105864 (E_RNA)
where:
Base-Base interactions energy: -1131.889
where: short stacking energy: -477.449
Base-Backbone interact. energy: 1.721
local terms energy: -489.937257
where:
bonds (distance) C4'-P energy: -88.339
bonds (distance) P-C4' energy: -91.197
flat angles C4'-P-C4' energy: -117.029
flat angles P-C4'-P energy: -56.355
tors. eta vs tors. theta energy: -137.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1516.868938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.868938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.868938 (E_RNA)
where:
Base-Base interactions energy: -1071.560
where: short stacking energy: -438.418
Base-Backbone interact. energy: 0.166
local terms energy: -445.475579
where:
bonds (distance) C4'-P energy: -86.329
bonds (distance) P-C4' energy: -79.385
flat angles C4'-P-C4' energy: -96.005
flat angles P-C4'-P energy: -52.267
tors. eta vs tors. theta energy: -131.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1481.570648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.570648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.570648 (E_RNA)
where:
Base-Base interactions energy: -1011.272
where: short stacking energy: -431.387
Base-Backbone interact. energy: -2.390
local terms energy: -467.909322
where:
bonds (distance) C4'-P energy: -81.467
bonds (distance) P-C4' energy: -85.541
flat angles C4'-P-C4' energy: -106.163
flat angles P-C4'-P energy: -75.173
tors. eta vs tors. theta energy: -119.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1398.275576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.275576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.275576 (E_RNA)
where:
Base-Base interactions energy: -961.022
where: short stacking energy: -400.528
Base-Backbone interact. energy: 0.708
local terms energy: -437.961597
where:
bonds (distance) C4'-P energy: -89.870
bonds (distance) P-C4' energy: -90.553
flat angles C4'-P-C4' energy: -91.135
flat angles P-C4'-P energy: -60.015
tors. eta vs tors. theta energy: -106.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1265.364758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.364758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.364758 (E_RNA)
where:
Base-Base interactions energy: -888.788
where: short stacking energy: -364.824
Base-Backbone interact. energy: -4.092
local terms energy: -372.485044
where:
bonds (distance) C4'-P energy: -53.464
bonds (distance) P-C4' energy: -91.022
flat angles C4'-P-C4' energy: -86.291
flat angles P-C4'-P energy: -49.753
tors. eta vs tors. theta energy: -91.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1038.062165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.062165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.062165 (E_RNA)
where:
Base-Base interactions energy: -680.382
where: short stacking energy: -296.963
Base-Backbone interact. energy: 0.376
local terms energy: -358.056390
where:
bonds (distance) C4'-P energy: -67.448
bonds (distance) P-C4' energy: -87.407
flat angles C4'-P-C4' energy: -92.554
flat angles P-C4'-P energy: -53.349
tors. eta vs tors. theta energy: -57.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -1024.169720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.169720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.169720 (E_RNA)
where:
Base-Base interactions energy: -655.899
where: short stacking energy: -294.117
Base-Backbone interact. energy: -3.581
local terms energy: -364.689330
where:
bonds (distance) C4'-P energy: -82.062
bonds (distance) P-C4' energy: -75.416
flat angles C4'-P-C4' energy: -77.962
flat angles P-C4'-P energy: -53.832
tors. eta vs tors. theta energy: -75.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1761.756814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.756814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.756814 (E_RNA)
where:
Base-Base interactions energy: -1234.241
where: short stacking energy: -499.931
Base-Backbone interact. energy: -5.419
local terms energy: -522.096861
where:
bonds (distance) C4'-P energy: -109.309
bonds (distance) P-C4' energy: -100.127
flat angles C4'-P-C4' energy: -110.660
flat angles P-C4'-P energy: -67.244
tors. eta vs tors. theta energy: -134.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1764.435746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.435746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.435746 (E_RNA)
where:
Base-Base interactions energy: -1258.500
where: short stacking energy: -524.256
Base-Backbone interact. energy: -2.322
local terms energy: -503.613505
where:
bonds (distance) C4'-P energy: -80.855
bonds (distance) P-C4' energy: -96.987
flat angles C4'-P-C4' energy: -104.697
flat angles P-C4'-P energy: -64.561
tors. eta vs tors. theta energy: -156.514
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: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1710.056826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.056826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.056826 (E_RNA)
where:
Base-Base interactions energy: -1209.789
where: short stacking energy: -529.737
Base-Backbone interact. energy: -1.328
local terms energy: -498.939011
where:
bonds (distance) C4'-P energy: -95.605
bonds (distance) P-C4' energy: -95.679
flat angles C4'-P-C4' energy: -101.159
flat angles P-C4'-P energy: -61.365
tors. eta vs tors. theta energy: -145.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1643.511567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.511567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.511567 (E_RNA)
where:
Base-Base interactions energy: -1153.115
where: short stacking energy: -488.150
Base-Backbone interact. energy: -1.113
local terms energy: -489.283399
where:
bonds (distance) C4'-P energy: -91.240
bonds (distance) P-C4' energy: -91.193
flat angles C4'-P-C4' energy: -105.197
flat angles P-C4'-P energy: -70.364
tors. eta vs tors. theta energy: -131.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1508.636664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.636664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.636664 (E_RNA)
where:
Base-Base interactions energy: -1034.778
where: short stacking energy: -421.431
Base-Backbone interact. energy: -1.525
local terms energy: -472.333498
where:
bonds (distance) C4'-P energy: -75.320
bonds (distance) P-C4' energy: -96.606
flat angles C4'-P-C4' energy: -99.621
flat angles P-C4'-P energy: -78.518
tors. eta vs tors. theta energy: -122.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1510.338476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.338476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.338476 (E_RNA)
where:
Base-Base interactions energy: -1030.090
where: short stacking energy: -435.525
Base-Backbone interact. energy: -1.313
local terms energy: -478.935489
where:
bonds (distance) C4'-P energy: -99.500
bonds (distance) P-C4' energy: -94.052
flat angles C4'-P-C4' energy: -94.652
flat angles P-C4'-P energy: -66.128
tors. eta vs tors. theta energy: -124.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1377.443854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.443854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.443854 (E_RNA)
where:
Base-Base interactions energy: -942.040
where: short stacking energy: -399.714
Base-Backbone interact. energy: -1.205
local terms energy: -434.198542
where:
bonds (distance) C4'-P energy: -75.164
bonds (distance) P-C4' energy: -91.151
flat angles C4'-P-C4' energy: -100.396
flat angles P-C4'-P energy: -63.885
tors. eta vs tors. theta energy: -103.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1300.828404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.828404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.828404 (E_RNA)
where:
Base-Base interactions energy: -907.166
where: short stacking energy: -370.879
Base-Backbone interact. energy: -1.387
local terms energy: -392.275825
where:
bonds (distance) C4'-P energy: -76.798
bonds (distance) P-C4' energy: -82.260
flat angles C4'-P-C4' energy: -88.334
flat angles P-C4'-P energy: -62.631
tors. eta vs tors. theta energy: -82.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1022.474093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.474093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.474093 (E_RNA)
where:
Base-Base interactions energy: -664.821
where: short stacking energy: -300.857
Base-Backbone interact. energy: -1.962
local terms energy: -355.690925
where:
bonds (distance) C4'-P energy: -75.111
bonds (distance) P-C4' energy: -82.689
flat angles C4'-P-C4' energy: -83.630
flat angles P-C4'-P energy: -55.905
tors. eta vs tors. theta energy: -58.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -919.861223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.861223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.861223 (E_RNA)
where:
Base-Base interactions energy: -587.448
where: short stacking energy: -256.319
Base-Backbone interact. energy: 2.543
local terms energy: -334.956263
where:
bonds (distance) C4'-P energy: -77.245
bonds (distance) P-C4' energy: -78.824
flat angles C4'-P-C4' energy: -81.547
flat angles P-C4'-P energy: -50.011
tors. eta vs tors. theta energy: -47.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1795.593623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.593623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.593623 (E_RNA)
where:
Base-Base interactions energy: -1249.850
where: short stacking energy: -526.277
Base-Backbone interact. energy: -1.102
local terms energy: -544.642044
where:
bonds (distance) C4'-P energy: -100.213
bonds (distance) P-C4' energy: -91.155
flat angles C4'-P-C4' energy: -116.007
flat angles P-C4'-P energy: -80.678
tors. eta vs tors. theta energy: -156.588
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: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1705.469964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.469964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.469964 (E_RNA)
where:
Base-Base interactions energy: -1220.476
where: short stacking energy: -504.569
Base-Backbone interact. energy: -2.008
local terms energy: -482.986251
where:
bonds (distance) C4'-P energy: -85.174
bonds (distance) P-C4' energy: -97.670
flat angles C4'-P-C4' energy: -95.236
flat angles P-C4'-P energy: -73.541
tors. eta vs tors. theta energy: -131.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1634.169696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.169696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.169696 (E_RNA)
where:
Base-Base interactions energy: -1149.138
where: short stacking energy: -475.905
Base-Backbone interact. energy: -1.378
local terms energy: -483.653693
where:
bonds (distance) C4'-P energy: -78.162
bonds (distance) P-C4' energy: -94.242
flat angles C4'-P-C4' energy: -108.102
flat angles P-C4'-P energy: -67.299
tors. eta vs tors. theta energy: -135.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1659.108658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.108658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.108658 (E_RNA)
where:
Base-Base interactions energy: -1145.657
where: short stacking energy: -470.866
Base-Backbone interact. energy: 1.407
local terms energy: -514.858717
where:
bonds (distance) C4'-P energy: -90.205
bonds (distance) P-C4' energy: -95.883
flat angles C4'-P-C4' energy: -103.537
flat angles P-C4'-P energy: -82.215
tors. eta vs tors. theta energy: -143.019
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: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1540.729526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.729526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.729526 (E_RNA)
where:
Base-Base interactions energy: -1076.373
where: short stacking energy: -448.547
Base-Backbone interact. energy: -0.451
local terms energy: -463.905651
where:
bonds (distance) C4'-P energy: -93.114
bonds (distance) P-C4' energy: -81.368
flat angles C4'-P-C4' energy: -103.107
flat angles P-C4'-P energy: -64.351
tors. eta vs tors. theta energy: -121.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1543.699248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.699248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.699248 (E_RNA)
where:
Base-Base interactions energy: -1074.406
where: short stacking energy: -475.869
Base-Backbone interact. energy: -1.384
local terms energy: -467.909024
where:
bonds (distance) C4'-P energy: -76.249
bonds (distance) P-C4' energy: -87.275
flat angles C4'-P-C4' energy: -100.483
flat angles P-C4'-P energy: -71.683
tors. eta vs tors. theta energy: -132.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1435.596284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.596284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.596284 (E_RNA)
where:
Base-Base interactions energy: -1003.510
where: short stacking energy: -425.768
Base-Backbone interact. energy: -3.021
local terms energy: -429.064796
where:
bonds (distance) C4'-P energy: -75.307
bonds (distance) P-C4' energy: -87.631
flat angles C4'-P-C4' energy: -107.054
flat angles P-C4'-P energy: -55.818
tors. eta vs tors. theta energy: -103.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1240.800627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.800627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.800627 (E_RNA)
where:
Base-Base interactions energy: -857.135
where: short stacking energy: -376.068
Base-Backbone interact. energy: -2.033
local terms energy: -381.632057
where:
bonds (distance) C4'-P energy: -69.056
bonds (distance) P-C4' energy: -88.490
flat angles C4'-P-C4' energy: -85.690
flat angles P-C4'-P energy: -41.497
tors. eta vs tors. theta energy: -96.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1013.228996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.228996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.228996 (E_RNA)
where:
Base-Base interactions energy: -649.647
where: short stacking energy: -283.322
Base-Backbone interact. energy: -2.152
local terms energy: -361.429311
where:
bonds (distance) C4'-P energy: -67.475
bonds (distance) P-C4' energy: -89.698
flat angles C4'-P-C4' energy: -82.014
flat angles P-C4'-P energy: -52.666
tors. eta vs tors. theta energy: -69.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -890.359505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.359505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.359505 (E_RNA)
where:
Base-Base interactions energy: -584.218
where: short stacking energy: -260.349
Base-Backbone interact. energy: 9.417
local terms energy: -315.558038
where:
bonds (distance) C4'-P energy: -66.184
bonds (distance) P-C4' energy: -89.401
flat angles C4'-P-C4' energy: -66.921
flat angles P-C4'-P energy: -56.195
tors. eta vs tors. theta energy: -36.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1797.240369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.240369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.240369 (E_RNA)
where:
Base-Base interactions energy: -1250.743
where: short stacking energy: -528.738
Base-Backbone interact. energy: -1.300
local terms energy: -545.197215
where:
bonds (distance) C4'-P energy: -98.727
bonds (distance) P-C4' energy: -100.967
flat angles C4'-P-C4' energy: -109.919
flat angles P-C4'-P energy: -77.095
tors. eta vs tors. theta energy: -158.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1728.643969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.643969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.643969 (E_RNA)
where:
Base-Base interactions energy: -1208.009
where: short stacking energy: -502.211
Base-Backbone interact. energy: -4.267
local terms energy: -516.368723
where:
bonds (distance) C4'-P energy: -87.671
bonds (distance) P-C4' energy: -101.894
flat angles C4'-P-C4' energy: -120.385
flat angles P-C4'-P energy: -71.233
tors. eta vs tors. theta energy: -135.186
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: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1667.321984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.321984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.321984 (E_RNA)
where:
Base-Base interactions energy: -1145.616
where: short stacking energy: -488.132
Base-Backbone interact. energy: -1.353
local terms energy: -520.353287
where:
bonds (distance) C4'-P energy: -95.916
bonds (distance) P-C4' energy: -101.341
flat angles C4'-P-C4' energy: -116.280
flat angles P-C4'-P energy: -70.973
tors. eta vs tors. theta energy: -135.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1550.125237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.125237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.125237 (E_RNA)
where:
Base-Base interactions energy: -1098.320
where: short stacking energy: -459.615
Base-Backbone interact. energy: 1.570
local terms energy: -453.375207
where:
bonds (distance) C4'-P energy: -81.481
bonds (distance) P-C4' energy: -90.874
flat angles C4'-P-C4' energy: -101.819
flat angles P-C4'-P energy: -57.611
tors. eta vs tors. theta energy: -121.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1626.089382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.089382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.089382 (E_RNA)
where:
Base-Base interactions energy: -1142.322
where: short stacking energy: -471.762
Base-Backbone interact. energy: -0.052
local terms energy: -483.715160
where:
bonds (distance) C4'-P energy: -87.066
bonds (distance) P-C4' energy: -89.473
flat angles C4'-P-C4' energy: -102.833
flat angles P-C4'-P energy: -70.660
tors. eta vs tors. theta energy: -133.683
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: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1560.832648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.832648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.832648 (E_RNA)
where:
Base-Base interactions energy: -1111.366
where: short stacking energy: -473.558
Base-Backbone interact. energy: -0.686
local terms energy: -448.779993
where:
bonds (distance) C4'-P energy: -78.210
bonds (distance) P-C4' energy: -59.861
flat angles C4'-P-C4' energy: -101.195
flat angles P-C4'-P energy: -75.295
tors. eta vs tors. theta energy: -134.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1412.823366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.823366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.823366 (E_RNA)
where:
Base-Base interactions energy: -1019.404
where: short stacking energy: -393.066
Base-Backbone interact. energy: -0.038
local terms energy: -393.381457
where:
bonds (distance) C4'-P energy: -60.373
bonds (distance) P-C4' energy: -85.645
flat angles C4'-P-C4' energy: -83.541
flat angles P-C4'-P energy: -68.952
tors. eta vs tors. theta energy: -94.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1231.980066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.980066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.980066 (E_RNA)
where:
Base-Base interactions energy: -856.965
where: short stacking energy: -351.552
Base-Backbone interact. energy: -2.499
local terms energy: -372.516611
where:
bonds (distance) C4'-P energy: -82.387
bonds (distance) P-C4' energy: -75.715
flat angles C4'-P-C4' energy: -81.199
flat angles P-C4'-P energy: -53.431
tors. eta vs tors. theta energy: -79.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1083.287557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.287557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.287557 (E_RNA)
where:
Base-Base interactions energy: -718.664
where: short stacking energy: -320.724
Base-Backbone interact. energy: 2.299
local terms energy: -366.922625
where:
bonds (distance) C4'-P energy: -78.940
bonds (distance) P-C4' energy: -81.660
flat angles C4'-P-C4' energy: -85.505
flat angles P-C4'-P energy: -51.868
tors. eta vs tors. theta energy: -68.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -927.776224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.776224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.776224 (E_RNA)
where:
Base-Base interactions energy: -611.391
where: short stacking energy: -251.449
Base-Backbone interact. energy: -1.031
local terms energy: -315.353650
where:
bonds (distance) C4'-P energy: -65.447
bonds (distance) P-C4' energy: -73.047
flat angles C4'-P-C4' energy: -86.198
flat angles P-C4'-P energy: -58.506
tors. eta vs tors. theta energy: -32.156
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: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1795.315731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.315731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.315731 (E_RNA)
where:
Base-Base interactions energy: -1260.135
where: short stacking energy: -522.386
Base-Backbone interact. energy: 1.608
local terms energy: -536.788139
where:
bonds (distance) C4'-P energy: -99.271
bonds (distance) P-C4' energy: -93.861
flat angles C4'-P-C4' energy: -112.044
flat angles P-C4'-P energy: -87.375
tors. eta vs tors. theta energy: -144.237
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: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1762.397469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.397469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.397469 (E_RNA)
where:
Base-Base interactions energy: -1245.500
where: short stacking energy: -522.909
Base-Backbone interact. energy: 0.664
local terms energy: -517.561977
where:
bonds (distance) C4'-P energy: -78.464
bonds (distance) P-C4' energy: -102.843
flat angles C4'-P-C4' energy: -104.054
flat angles P-C4'-P energy: -80.280
tors. eta vs tors. theta energy: -151.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1636.613569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.613569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.613569 (E_RNA)
where:
Base-Base interactions energy: -1150.725
where: short stacking energy: -496.874
Base-Backbone interact. energy: 0.702
local terms energy: -486.590324
where:
bonds (distance) C4'-P energy: -88.964
bonds (distance) P-C4' energy: -92.120
flat angles C4'-P-C4' energy: -99.056
flat angles P-C4'-P energy: -76.440
tors. eta vs tors. theta energy: -130.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1641.858459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.858459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.858459 (E_RNA)
where:
Base-Base interactions energy: -1124.065
where: short stacking energy: -485.685
Base-Backbone interact. energy: -2.022
local terms energy: -515.771440
where:
bonds (distance) C4'-P energy: -99.413
bonds (distance) P-C4' energy: -99.544
flat angles C4'-P-C4' energy: -106.754
flat angles P-C4'-P energy: -74.219
tors. eta vs tors. theta energy: -135.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1618.669035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.669035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.669035 (E_RNA)
where:
Base-Base interactions energy: -1119.569
where: short stacking energy: -468.645
Base-Backbone interact. energy: -1.344
local terms energy: -497.756029
where:
bonds (distance) C4'-P energy: -96.361
bonds (distance) P-C4' energy: -81.023
flat angles C4'-P-C4' energy: -93.481
flat angles P-C4'-P energy: -77.632
tors. eta vs tors. theta energy: -149.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1496.881474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.881474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.881474 (E_RNA)
where:
Base-Base interactions energy: -1059.231
where: short stacking energy: -421.297
Base-Backbone interact. energy: -0.173
local terms energy: -437.476972
where:
bonds (distance) C4'-P energy: -64.927
bonds (distance) P-C4' energy: -94.039
flat angles C4'-P-C4' energy: -100.998
flat angles P-C4'-P energy: -56.071
tors. eta vs tors. theta energy: -121.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1444.896715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.896715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.896715 (E_RNA)
where:
Base-Base interactions energy: -1017.844
where: short stacking energy: -409.572
Base-Backbone interact. energy: -0.185
local terms energy: -426.867321
where:
bonds (distance) C4'-P energy: -83.016
bonds (distance) P-C4' energy: -84.504
flat angles C4'-P-C4' energy: -88.878
flat angles P-C4'-P energy: -66.104
tors. eta vs tors. theta energy: -104.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1242.769090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.769090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.769090 (E_RNA)
where:
Base-Base interactions energy: -844.909
where: short stacking energy: -357.144
Base-Backbone interact. energy: -1.751
local terms energy: -396.108719
where:
bonds (distance) C4'-P energy: -83.609
bonds (distance) P-C4' energy: -82.282
flat angles C4'-P-C4' energy: -84.736
flat angles P-C4'-P energy: -56.849
tors. eta vs tors. theta energy: -88.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -973.075256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.075256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.075256 (E_RNA)
where:
Base-Base interactions energy: -638.698
where: short stacking energy: -273.856
Base-Backbone interact. energy: -0.366
local terms energy: -334.011242
where:
bonds (distance) C4'-P energy: -72.074
bonds (distance) P-C4' energy: -75.025
flat angles C4'-P-C4' energy: -86.002
flat angles P-C4'-P energy: -49.434
tors. eta vs tors. theta energy: -51.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -999.706437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.706437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.706437 (E_RNA)
where:
Base-Base interactions energy: -687.271
where: short stacking energy: -296.731
Base-Backbone interact. energy: 2.180
local terms energy: -314.615471
where:
bonds (distance) C4'-P energy: -77.544
bonds (distance) P-C4' energy: -72.193
flat angles C4'-P-C4' energy: -68.433
flat angles P-C4'-P energy: -43.071
tors. eta vs tors. theta energy: -53.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1778.292338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.292338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.292338 (E_RNA)
where:
Base-Base interactions energy: -1245.728
where: short stacking energy: -501.779
Base-Backbone interact. energy: -1.694
local terms energy: -530.870863
where:
bonds (distance) C4'-P energy: -98.466
bonds (distance) P-C4' energy: -94.206
flat angles C4'-P-C4' energy: -112.481
flat angles P-C4'-P energy: -83.374
tors. eta vs tors. theta energy: -142.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1753.297062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.297062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.297062 (E_RNA)
where:
Base-Base interactions energy: -1224.842
where: short stacking energy: -522.168
Base-Backbone interact. energy: -1.614
local terms energy: -526.841355
where:
bonds (distance) C4'-P energy: -93.000
bonds (distance) P-C4' energy: -104.307
flat angles C4'-P-C4' energy: -98.802
flat angles P-C4'-P energy: -82.945
tors. eta vs tors. theta energy: -147.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1665.684007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.684007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.684007 (E_RNA)
where:
Base-Base interactions energy: -1179.942
where: short stacking energy: -492.276
Base-Backbone interact. energy: 2.045
local terms energy: -487.787126
where:
bonds (distance) C4'-P energy: -93.032
bonds (distance) P-C4' energy: -90.722
flat angles C4'-P-C4' energy: -101.535
flat angles P-C4'-P energy: -77.056
tors. eta vs tors. theta energy: -125.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1669.344718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.344718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.344718 (E_RNA)
where:
Base-Base interactions energy: -1163.016
where: short stacking energy: -500.348
Base-Backbone interact. energy: -0.199
local terms energy: -506.129603
where:
bonds (distance) C4'-P energy: -88.017
bonds (distance) P-C4' energy: -92.329
flat angles C4'-P-C4' energy: -107.421
flat angles P-C4'-P energy: -74.105
tors. eta vs tors. theta energy: -144.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1552.286495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.286495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.286495 (E_RNA)
where:
Base-Base interactions energy: -1075.698
where: short stacking energy: -471.036
Base-Backbone interact. energy: -0.307
local terms energy: -476.281587
where:
bonds (distance) C4'-P energy: -92.963
bonds (distance) P-C4' energy: -89.560
flat angles C4'-P-C4' energy: -97.795
flat angles P-C4'-P energy: -66.269
tors. eta vs tors. theta energy: -129.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1481.050441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.050441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.050441 (E_RNA)
where:
Base-Base interactions energy: -1036.388
where: short stacking energy: -437.516
Base-Backbone interact. energy: -1.145
local terms energy: -443.516706
where:
bonds (distance) C4'-P energy: -74.935
bonds (distance) P-C4' energy: -78.923
flat angles C4'-P-C4' energy: -105.456
flat angles P-C4'-P energy: -66.470
tors. eta vs tors. theta energy: -117.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1431.773163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.773163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.773163 (E_RNA)
where:
Base-Base interactions energy: -1015.915
where: short stacking energy: -434.379
Base-Backbone interact. energy: -0.023
local terms energy: -415.834809
where:
bonds (distance) C4'-P energy: -69.434
bonds (distance) P-C4' energy: -77.074
flat angles C4'-P-C4' energy: -84.775
flat angles P-C4'-P energy: -70.832
tors. eta vs tors. theta energy: -113.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1230.670108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.670108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.670108 (E_RNA)
where:
Base-Base interactions energy: -846.842
where: short stacking energy: -368.832
Base-Backbone interact. energy: 10.182
local terms energy: -394.009660
where:
bonds (distance) C4'-P energy: -78.374
bonds (distance) P-C4' energy: -79.223
flat angles C4'-P-C4' energy: -94.131
flat angles P-C4'-P energy: -58.184
tors. eta vs tors. theta energy: -84.097
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: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1008.490398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.490398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.490398 (E_RNA)
where:
Base-Base interactions energy: -671.828
where: short stacking energy: -283.405
Base-Backbone interact. energy: 0.957
local terms energy: -337.620012
where:
bonds (distance) C4'-P energy: -80.143
bonds (distance) P-C4' energy: -77.131
flat angles C4'-P-C4' energy: -89.383
flat angles P-C4'-P energy: -38.882
tors. eta vs tors. theta energy: -52.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -956.494202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.494202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.494202 (E_RNA)
where:
Base-Base interactions energy: -615.028
where: short stacking energy: -259.416
Base-Backbone interact. energy: 0.882
local terms energy: -342.348204
where:
bonds (distance) C4'-P energy: -86.461
bonds (distance) P-C4' energy: -84.823
flat angles C4'-P-C4' energy: -80.095
flat angles P-C4'-P energy: -43.182
tors. eta vs tors. theta energy: -47.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1767.738647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.738647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.738647 (E_RNA)
where:
Base-Base interactions energy: -1263.827
where: short stacking energy: -508.672
Base-Backbone interact. energy: -2.559
local terms energy: -501.352813
where:
bonds (distance) C4'-P energy: -83.164
bonds (distance) P-C4' energy: -100.527
flat angles C4'-P-C4' energy: -110.366
flat angles P-C4'-P energy: -73.157
tors. eta vs tors. theta energy: -134.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1746.150676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.150676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.150676 (E_RNA)
where:
Base-Base interactions energy: -1233.854
where: short stacking energy: -514.722
Base-Backbone interact. energy: -1.526
local terms energy: -510.770281
where:
bonds (distance) C4'-P energy: -94.214
bonds (distance) P-C4' energy: -91.053
flat angles C4'-P-C4' energy: -105.460
flat angles P-C4'-P energy: -71.172
tors. eta vs tors. theta energy: -148.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1659.400518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.400518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.400518 (E_RNA)
where:
Base-Base interactions energy: -1159.025
where: short stacking energy: -481.270
Base-Backbone interact. energy: 1.797
local terms energy: -502.172568
where:
bonds (distance) C4'-P energy: -95.402
bonds (distance) P-C4' energy: -107.634
flat angles C4'-P-C4' energy: -97.649
flat angles P-C4'-P energy: -74.688
tors. eta vs tors. theta energy: -126.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1665.096610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.096610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.096610 (E_RNA)
where:
Base-Base interactions energy: -1168.342
where: short stacking energy: -492.919
Base-Backbone interact. energy: -1.539
local terms energy: -495.215152
where:
bonds (distance) C4'-P energy: -88.703
bonds (distance) P-C4' energy: -90.956
flat angles C4'-P-C4' energy: -109.489
flat angles P-C4'-P energy: -67.490
tors. eta vs tors. theta energy: -138.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1527.762597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.762597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.762597 (E_RNA)
where:
Base-Base interactions energy: -1060.595
where: short stacking energy: -451.430
Base-Backbone interact. energy: -0.495
local terms energy: -466.672645
where:
bonds (distance) C4'-P energy: -88.816
bonds (distance) P-C4' energy: -89.866
flat angles C4'-P-C4' energy: -98.191
flat angles P-C4'-P energy: -64.525
tors. eta vs tors. theta energy: -125.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1492.268570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.268570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.268570 (E_RNA)
where:
Base-Base interactions energy: -1026.079
where: short stacking energy: -429.496
Base-Backbone interact. energy: -1.307
local terms energy: -464.881888
where:
bonds (distance) C4'-P energy: -76.834
bonds (distance) P-C4' energy: -97.419
flat angles C4'-P-C4' energy: -106.958
flat angles P-C4'-P energy: -66.229
tors. eta vs tors. theta energy: -117.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1427.210268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.210268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.210268 (E_RNA)
where:
Base-Base interactions energy: -1000.817
where: short stacking energy: -401.394
Base-Backbone interact. energy: -0.940
local terms energy: -425.453623
where:
bonds (distance) C4'-P energy: -82.516
bonds (distance) P-C4' energy: -66.433
flat angles C4'-P-C4' energy: -94.498
flat angles P-C4'-P energy: -71.878
tors. eta vs tors. theta energy: -110.130
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: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1244.325034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.325034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.325034 (E_RNA)
where:
Base-Base interactions energy: -859.011
where: short stacking energy: -389.147
Base-Backbone interact. energy: 0.161
local terms energy: -385.474521
where:
bonds (distance) C4'-P energy: -79.582
bonds (distance) P-C4' energy: -85.756
flat angles C4'-P-C4' energy: -76.872
flat angles P-C4'-P energy: -56.387
tors. eta vs tors. theta energy: -86.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -948.214467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.214467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.214467 (E_RNA)
where:
Base-Base interactions energy: -610.825
where: short stacking energy: -257.902
Base-Backbone interact. energy: -0.472
local terms energy: -336.917486
where:
bonds (distance) C4'-P energy: -79.238
bonds (distance) P-C4' energy: -85.530
flat angles C4'-P-C4' energy: -78.598
flat angles P-C4'-P energy: -56.493
tors. eta vs tors. theta energy: -37.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -966.432138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.432138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.432138 (E_RNA)
where:
Base-Base interactions energy: -628.919
where: short stacking energy: -279.778
Base-Backbone interact. energy: 1.263
local terms energy: -338.776015
where:
bonds (distance) C4'-P energy: -76.830
bonds (distance) P-C4' energy: -81.146
flat angles C4'-P-C4' energy: -73.188
flat angles P-C4'-P energy: -55.354
tors. eta vs tors. theta energy: -52.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1785.731486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.731486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.731486 (E_RNA)
where:
Base-Base interactions energy: -1251.186
where: short stacking energy: -541.553
Base-Backbone interact. energy: -0.657
local terms energy: -533.888626
where:
bonds (distance) C4'-P energy: -88.395
bonds (distance) P-C4' energy: -102.992
flat angles C4'-P-C4' energy: -116.349
flat angles P-C4'-P energy: -80.142
tors. eta vs tors. theta energy: -146.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1755.214590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.214590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.214590 (E_RNA)
where:
Base-Base interactions energy: -1224.327
where: short stacking energy: -502.719
Base-Backbone interact. energy: -0.837
local terms energy: -530.050762
where:
bonds (distance) C4'-P energy: -95.403
bonds (distance) P-C4' energy: -94.611
flat angles C4'-P-C4' energy: -112.805
flat angles P-C4'-P energy: -71.475
tors. eta vs tors. theta energy: -155.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1672.861618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.861618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.861618 (E_RNA)
where:
Base-Base interactions energy: -1176.135
where: short stacking energy: -485.602
Base-Backbone interact. energy: 0.277
local terms energy: -497.004209
where:
bonds (distance) C4'-P energy: -89.411
bonds (distance) P-C4' energy: -91.556
flat angles C4'-P-C4' energy: -104.076
flat angles P-C4'-P energy: -76.185
tors. eta vs tors. theta energy: -135.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1713.511281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.511281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.511281 (E_RNA)
where:
Base-Base interactions energy: -1187.432
where: short stacking energy: -494.602
Base-Backbone interact. energy: -1.864
local terms energy: -524.216056
where:
bonds (distance) C4'-P energy: -96.651
bonds (distance) P-C4' energy: -99.612
flat angles C4'-P-C4' energy: -105.186
flat angles P-C4'-P energy: -78.323
tors. eta vs tors. theta energy: -144.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1500.293558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.293558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.293558 (E_RNA)
where:
Base-Base interactions energy: -1056.024
where: short stacking energy: -444.548
Base-Backbone interact. energy: 0.832
local terms energy: -445.101787
where:
bonds (distance) C4'-P energy: -80.970
bonds (distance) P-C4' energy: -80.159
flat angles C4'-P-C4' energy: -98.122
flat angles P-C4'-P energy: -62.418
tors. eta vs tors. theta energy: -123.434
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: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1477.452032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.452032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.452032 (E_RNA)
where:
Base-Base interactions energy: -1048.624
where: short stacking energy: -429.528
Base-Backbone interact. energy: -0.713
local terms energy: -428.115199
where:
bonds (distance) C4'-P energy: -86.892
bonds (distance) P-C4' energy: -76.011
flat angles C4'-P-C4' energy: -88.430
flat angles P-C4'-P energy: -56.079
tors. eta vs tors. theta energy: -120.703
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: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1415.362529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.362529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.362529 (E_RNA)
where:
Base-Base interactions energy: -981.626
where: short stacking energy: -421.439
Base-Backbone interact. energy: 1.033
local terms energy: -434.769260
where:
bonds (distance) C4'-P energy: -80.602
bonds (distance) P-C4' energy: -82.645
flat angles C4'-P-C4' energy: -96.433
flat angles P-C4'-P energy: -68.453
tors. eta vs tors. theta energy: -106.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1205.628693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.628693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.628693 (E_RNA)
where:
Base-Base interactions energy: -816.541
where: short stacking energy: -357.154
Base-Backbone interact. energy: -1.779
local terms energy: -387.308753
where:
bonds (distance) C4'-P energy: -80.059
bonds (distance) P-C4' energy: -73.247
flat angles C4'-P-C4' energy: -90.220
flat angles P-C4'-P energy: -59.681
tors. eta vs tors. theta energy: -84.101
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: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -1031.156082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.156082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.156082 (E_RNA)
where:
Base-Base interactions energy: -678.647
where: short stacking energy: -292.648
Base-Backbone interact. energy: 0.167
local terms energy: -352.675851
where:
bonds (distance) C4'-P energy: -99.309
bonds (distance) P-C4' energy: -78.478
flat angles C4'-P-C4' energy: -75.839
flat angles P-C4'-P energy: -47.308
tors. eta vs tors. theta energy: -51.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -958.074072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.074072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.074072 (E_RNA)
where:
Base-Base interactions energy: -639.491
where: short stacking energy: -267.716
Base-Backbone interact. energy: -1.274
local terms energy: -317.308846
where:
bonds (distance) C4'-P energy: -66.379
bonds (distance) P-C4' energy: -81.632
flat angles C4'-P-C4' energy: -71.802
flat angles P-C4'-P energy: -51.360
tors. eta vs tors. theta energy: -46.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1778.559413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.559413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.559413 (E_RNA)
where:
Base-Base interactions energy: -1257.223
where: short stacking energy: -519.777
Base-Backbone interact. energy: -1.710
local terms energy: -519.626875
where:
bonds (distance) C4'-P energy: -95.588
bonds (distance) P-C4' energy: -105.922
flat angles C4'-P-C4' energy: -115.333
flat angles P-C4'-P energy: -67.003
tors. eta vs tors. theta energy: -135.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1797.617908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.617908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.617908 (E_RNA)
where:
Base-Base interactions energy: -1266.596
where: short stacking energy: -533.449
Base-Backbone interact. energy: -1.001
local terms energy: -530.020473
where:
bonds (distance) C4'-P energy: -99.162
bonds (distance) P-C4' energy: -94.443
flat angles C4'-P-C4' energy: -113.398
flat angles P-C4'-P energy: -73.283
tors. eta vs tors. theta energy: -149.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1703.735392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.735392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.735392 (E_RNA)
where:
Base-Base interactions energy: -1193.538
where: short stacking energy: -510.042
Base-Backbone interact. energy: 0.204
local terms energy: -510.401562
where:
bonds (distance) C4'-P energy: -97.454
bonds (distance) P-C4' energy: -101.081
flat angles C4'-P-C4' energy: -104.481
flat angles P-C4'-P energy: -63.409
tors. eta vs tors. theta energy: -143.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1632.175823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.175823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.175823 (E_RNA)
where:
Base-Base interactions energy: -1158.575
where: short stacking energy: -486.907
Base-Backbone interact. energy: -1.740
local terms energy: -471.860658
where:
bonds (distance) C4'-P energy: -76.278
bonds (distance) P-C4' energy: -86.160
flat angles C4'-P-C4' energy: -108.282
flat angles P-C4'-P energy: -71.233
tors. eta vs tors. theta energy: -129.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1614.075673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.075673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.075673 (E_RNA)
where:
Base-Base interactions energy: -1126.250
where: short stacking energy: -475.250
Base-Backbone interact. energy: -0.298
local terms energy: -487.528040
where:
bonds (distance) C4'-P energy: -88.544
bonds (distance) P-C4' energy: -81.378
flat angles C4'-P-C4' energy: -108.333
flat angles P-C4'-P energy: -76.739
tors. eta vs tors. theta energy: -132.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1497.817606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.817606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.817606 (E_RNA)
where:
Base-Base interactions energy: -1039.073
where: short stacking energy: -422.336
Base-Backbone interact. energy: -2.743
local terms energy: -456.001537
where:
bonds (distance) C4'-P energy: -85.206
bonds (distance) P-C4' energy: -73.237
flat angles C4'-P-C4' energy: -110.819
flat angles P-C4'-P energy: -73.312
tors. eta vs tors. theta energy: -113.428
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: 40
Temperature: 1.200000
Total energy: -1402.969919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.969919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.969919 (E_RNA)
where:
Base-Base interactions energy: -985.609
where: short stacking energy: -410.559
Base-Backbone interact. energy: -0.744
local terms energy: -416.616890
where:
bonds (distance) C4'-P energy: -87.430
bonds (distance) P-C4' energy: -84.049
flat angles C4'-P-C4' energy: -75.124
flat angles P-C4'-P energy: -66.889
tors. eta vs tors. theta energy: -103.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1173.488669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.488669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.488669 (E_RNA)
where:
Base-Base interactions energy: -828.695
where: short stacking energy: -343.881
Base-Backbone interact. energy: -2.450
local terms energy: -342.343944
where:
bonds (distance) C4'-P energy: -63.683
bonds (distance) P-C4' energy: -71.547
flat angles C4'-P-C4' energy: -81.253
flat angles P-C4'-P energy: -47.853
tors. eta vs tors. theta energy: -78.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1023.563583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.563583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.563583 (E_RNA)
where:
Base-Base interactions energy: -684.668
where: short stacking energy: -298.047
Base-Backbone interact. energy: -3.993
local terms energy: -334.902573
where:
bonds (distance) C4'-P energy: -82.742
bonds (distance) P-C4' energy: -80.279
flat angles C4'-P-C4' energy: -76.530
flat angles P-C4'-P energy: -48.616
tors. eta vs tors. theta energy: -46.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -908.839888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.839888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.839888 (E_RNA)
where:
Base-Base interactions energy: -561.210
where: short stacking energy: -246.388
Base-Backbone interact. energy: 0.813
local terms energy: -348.443163
where:
bonds (distance) C4'-P energy: -87.925
bonds (distance) P-C4' energy: -85.234
flat angles C4'-P-C4' energy: -70.015
flat angles P-C4'-P energy: -55.474
tors. eta vs tors. theta energy: -49.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1778.277041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.277041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.277041 (E_RNA)
where:
Base-Base interactions energy: -1273.132
where: short stacking energy: -519.657
Base-Backbone interact. energy: -4.677
local terms energy: -500.468609
where:
bonds (distance) C4'-P energy: -90.950
bonds (distance) P-C4' energy: -93.873
flat angles C4'-P-C4' energy: -111.588
flat angles P-C4'-P energy: -61.779
tors. eta vs tors. theta energy: -142.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1804.606871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.606871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.606871 (E_RNA)
where:
Base-Base interactions energy: -1257.659
where: short stacking energy: -550.994
Base-Backbone interact. energy: -2.395
local terms energy: -544.553695
where:
bonds (distance) C4'-P energy: -93.456
bonds (distance) P-C4' energy: -100.292
flat angles C4'-P-C4' energy: -113.970
flat angles P-C4'-P energy: -76.802
tors. eta vs tors. theta energy: -160.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1729.997885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.997885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.997885 (E_RNA)
where:
Base-Base interactions energy: -1228.458
where: short stacking energy: -510.667
Base-Backbone interact. energy: -1.614
local terms energy: -499.925524
where:
bonds (distance) C4'-P energy: -81.588
bonds (distance) P-C4' energy: -87.041
flat angles C4'-P-C4' energy: -112.719
flat angles P-C4'-P energy: -70.176
tors. eta vs tors. theta energy: -148.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1654.317721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.317721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.317721 (E_RNA)
where:
Base-Base interactions energy: -1155.902
where: short stacking energy: -480.093
Base-Backbone interact. energy: -1.318
local terms energy: -497.097862
where:
bonds (distance) C4'-P energy: -87.481
bonds (distance) P-C4' energy: -95.270
flat angles C4'-P-C4' energy: -111.250
flat angles P-C4'-P energy: -66.799
tors. eta vs tors. theta energy: -136.297
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: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1611.375884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.375884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.375884 (E_RNA)
where:
Base-Base interactions energy: -1124.002
where: short stacking energy: -465.411
Base-Backbone interact. energy: -2.367
local terms energy: -485.006730
where:
bonds (distance) C4'-P energy: -82.494
bonds (distance) P-C4' energy: -89.013
flat angles C4'-P-C4' energy: -105.425
flat angles P-C4'-P energy: -77.919
tors. eta vs tors. theta energy: -130.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1466.572817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.572817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.572817 (E_RNA)
where:
Base-Base interactions energy: -1012.579
where: short stacking energy: -400.829
Base-Backbone interact. energy: -1.639
local terms energy: -452.354177
where:
bonds (distance) C4'-P energy: -84.414
bonds (distance) P-C4' energy: -88.843
flat angles C4'-P-C4' energy: -98.301
flat angles P-C4'-P energy: -63.871
tors. eta vs tors. theta energy: -116.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1407.769177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.769177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.769177 (E_RNA)
where:
Base-Base interactions energy: -993.782
where: short stacking energy: -403.623
Base-Backbone interact. energy: 2.144
local terms energy: -416.130882
where:
bonds (distance) C4'-P energy: -83.724
bonds (distance) P-C4' energy: -76.583
flat angles C4'-P-C4' energy: -95.885
flat angles P-C4'-P energy: -51.534
tors. eta vs tors. theta energy: -108.405
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: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1199.381659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.381659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.381659 (E_RNA)
where:
Base-Base interactions energy: -799.321
where: short stacking energy: -337.418
Base-Backbone interact. energy: -3.122
local terms energy: -396.939175
where:
bonds (distance) C4'-P energy: -78.568
bonds (distance) P-C4' energy: -78.393
flat angles C4'-P-C4' energy: -95.133
flat angles P-C4'-P energy: -67.282
tors. eta vs tors. theta energy: -77.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1042.994990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.994990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.994990 (E_RNA)
where:
Base-Base interactions energy: -676.127
where: short stacking energy: -307.112
Base-Backbone interact. energy: -0.207
local terms energy: -366.660256
where:
bonds (distance) C4'-P energy: -85.575
bonds (distance) P-C4' energy: -75.396
flat angles C4'-P-C4' energy: -89.215
flat angles P-C4'-P energy: -57.056
tors. eta vs tors. theta energy: -59.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -923.450826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.450826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.450826 (E_RNA)
where:
Base-Base interactions energy: -572.428
where: short stacking energy: -258.529
Base-Backbone interact. energy: -0.490
local terms energy: -350.533516
where:
bonds (distance) C4'-P energy: -66.338
bonds (distance) P-C4' energy: -81.525
flat angles C4'-P-C4' energy: -90.585
flat angles P-C4'-P energy: -53.180
tors. eta vs tors. theta energy: -58.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1842.130803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.130803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.130803 (E_RNA)
where:
Base-Base interactions energy: -1302.481
where: short stacking energy: -541.781
Base-Backbone interact. energy: -0.503
local terms energy: -539.146541
where:
bonds (distance) C4'-P energy: -93.960
bonds (distance) P-C4' energy: -94.745
flat angles C4'-P-C4' energy: -102.528
flat angles P-C4'-P energy: -83.980
tors. eta vs tors. theta energy: -163.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1756.429238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.429238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.429238 (E_RNA)
where:
Base-Base interactions energy: -1246.882
where: short stacking energy: -515.016
Base-Backbone interact. energy: -1.054
local terms energy: -508.493477
where:
bonds (distance) C4'-P energy: -91.115
bonds (distance) P-C4' energy: -93.721
flat angles C4'-P-C4' energy: -112.898
flat angles P-C4'-P energy: -71.761
tors. eta vs tors. theta energy: -138.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1717.111624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.111624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.111624 (E_RNA)
where:
Base-Base interactions energy: -1207.821
where: short stacking energy: -507.224
Base-Backbone interact. energy: -2.254
local terms energy: -507.036864
where:
bonds (distance) C4'-P energy: -87.387
bonds (distance) P-C4' energy: -81.407
flat angles C4'-P-C4' energy: -107.830
flat angles P-C4'-P energy: -80.432
tors. eta vs tors. theta energy: -149.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1650.478572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.478572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.478572 (E_RNA)
where:
Base-Base interactions energy: -1151.021
where: short stacking energy: -462.630
Base-Backbone interact. energy: -2.093
local terms energy: -497.364845
where:
bonds (distance) C4'-P energy: -86.424
bonds (distance) P-C4' energy: -95.936
flat angles C4'-P-C4' energy: -111.412
flat angles P-C4'-P energy: -69.349
tors. eta vs tors. theta energy: -134.243
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: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1605.502289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.502289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.502289 (E_RNA)
where:
Base-Base interactions energy: -1136.556
where: short stacking energy: -490.890
Base-Backbone interact. energy: -0.208
local terms energy: -468.738221
where:
bonds (distance) C4'-P energy: -77.462
bonds (distance) P-C4' energy: -82.161
flat angles C4'-P-C4' energy: -104.227
flat angles P-C4'-P energy: -71.764
tors. eta vs tors. theta energy: -133.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1483.278022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.278022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.278022 (E_RNA)
where:
Base-Base interactions energy: -1051.685
where: short stacking energy: -452.035
Base-Backbone interact. energy: -0.888
local terms energy: -430.704537
where:
bonds (distance) C4'-P energy: -69.680
bonds (distance) P-C4' energy: -70.189
flat angles C4'-P-C4' energy: -100.947
flat angles P-C4'-P energy: -67.881
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: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1398.176973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.176973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.176973 (E_RNA)
where:
Base-Base interactions energy: -962.550
where: short stacking energy: -407.360
Base-Backbone interact. energy: -0.788
local terms energy: -434.839238
where:
bonds (distance) C4'-P energy: -79.715
bonds (distance) P-C4' energy: -65.100
flat angles C4'-P-C4' energy: -108.716
flat angles P-C4'-P energy: -70.019
tors. eta vs tors. theta energy: -111.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1177.029819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.029819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.029819 (E_RNA)
where:
Base-Base interactions energy: -795.462
where: short stacking energy: -332.991
Base-Backbone interact. energy: -0.233
local terms energy: -381.334955
where:
bonds (distance) C4'-P energy: -84.978
bonds (distance) P-C4' energy: -76.506
flat angles C4'-P-C4' energy: -89.288
flat angles P-C4'-P energy: -60.176
tors. eta vs tors. theta energy: -70.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -966.693500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.693500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.693500 (E_RNA)
where:
Base-Base interactions energy: -612.631
where: short stacking energy: -282.434
Base-Backbone interact. energy: -1.106
local terms energy: -352.957212
where:
bonds (distance) C4'-P energy: -74.125
bonds (distance) P-C4' energy: -86.330
flat angles C4'-P-C4' energy: -85.069
flat angles P-C4'-P energy: -50.548
tors. eta vs tors. theta energy: -56.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -969.041566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.041566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.041566 (E_RNA)
where:
Base-Base interactions energy: -624.739
where: short stacking energy: -266.247
Base-Backbone interact. energy: -1.160
local terms energy: -343.142819
where:
bonds (distance) C4'-P energy: -93.178
bonds (distance) P-C4' energy: -77.276
flat angles C4'-P-C4' energy: -87.967
flat angles P-C4'-P energy: -42.898
tors. eta vs tors. theta energy: -41.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1820.862464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.862464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.862464 (E_RNA)
where:
Base-Base interactions energy: -1287.817
where: short stacking energy: -537.297
Base-Backbone interact. energy: -3.329
local terms energy: -529.715879
where:
bonds (distance) C4'-P energy: -86.658
bonds (distance) P-C4' energy: -96.548
flat angles C4'-P-C4' energy: -112.278
flat angles P-C4'-P energy: -73.959
tors. eta vs tors. theta energy: -160.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1757.854168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.854168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.854168 (E_RNA)
where:
Base-Base interactions energy: -1244.319
where: short stacking energy: -507.246
Base-Backbone interact. energy: -1.521
local terms energy: -512.013774
where:
bonds (distance) C4'-P energy: -94.991
bonds (distance) P-C4' energy: -98.594
flat angles C4'-P-C4' energy: -115.265
flat angles P-C4'-P energy: -64.808
tors. eta vs tors. theta energy: -138.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1731.062936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.062936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.062936 (E_RNA)
where:
Base-Base interactions energy: -1205.904
where: short stacking energy: -510.045
Base-Backbone interact. energy: -1.417
local terms energy: -523.741198
where:
bonds (distance) C4'-P energy: -95.847
bonds (distance) P-C4' energy: -95.401
flat angles C4'-P-C4' energy: -109.765
flat angles P-C4'-P energy: -72.653
tors. eta vs tors. theta energy: -150.075
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: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1629.850413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.850413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.850413 (E_RNA)
where:
Base-Base interactions energy: -1131.376
where: short stacking energy: -461.359
Base-Backbone interact. energy: 0.527
local terms energy: -499.001108
where:
bonds (distance) C4'-P energy: -92.157
bonds (distance) P-C4' energy: -103.211
flat angles C4'-P-C4' energy: -102.317
flat angles P-C4'-P energy: -72.116
tors. eta vs tors. theta energy: -129.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1598.089046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.089046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.089046 (E_RNA)
where:
Base-Base interactions energy: -1113.111
where: short stacking energy: -469.565
Base-Backbone interact. energy: -2.495
local terms energy: -482.482627
where:
bonds (distance) C4'-P energy: -84.931
bonds (distance) P-C4' energy: -88.224
flat angles C4'-P-C4' energy: -115.476
flat angles P-C4'-P energy: -69.298
tors. eta vs tors. theta energy: -124.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1463.036134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.036134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.036134 (E_RNA)
where:
Base-Base interactions energy: -1043.754
where: short stacking energy: -428.190
Base-Backbone interact. energy: -1.970
local terms energy: -417.312354
where:
bonds (distance) C4'-P energy: -79.739
bonds (distance) P-C4' energy: -73.271
flat angles C4'-P-C4' energy: -90.256
flat angles P-C4'-P energy: -53.889
tors. eta vs tors. theta energy: -120.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1432.946618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.946618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.946618 (E_RNA)
where:
Base-Base interactions energy: -1008.693
where: short stacking energy: -407.670
Base-Backbone interact. energy: -1.137
local terms energy: -423.116708
where:
bonds (distance) C4'-P energy: -82.047
bonds (distance) P-C4' energy: -82.764
flat angles C4'-P-C4' energy: -98.676
flat angles P-C4'-P energy: -56.235
tors. eta vs tors. theta energy: -103.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1192.659288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.659288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.659288 (E_RNA)
where:
Base-Base interactions energy: -814.293
where: short stacking energy: -329.731
Base-Backbone interact. energy: 0.720
local terms energy: -379.086668
where:
bonds (distance) C4'-P energy: -77.238
bonds (distance) P-C4' energy: -97.935
flat angles C4'-P-C4' energy: -74.663
flat angles P-C4'-P energy: -58.562
tors. eta vs tors. theta energy: -70.688
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: 43
Temperature: 1.300000
Total energy: -1036.018483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.018483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.018483 (E_RNA)
where:
Base-Base interactions energy: -673.695
where: short stacking energy: -309.484
Base-Backbone interact. energy: -2.342
local terms energy: -359.981459
where:
bonds (distance) C4'-P energy: -74.388
bonds (distance) P-C4' energy: -87.220
flat angles C4'-P-C4' energy: -70.287
flat angles P-C4'-P energy: -67.059
tors. eta vs tors. theta energy: -61.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -1001.378300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.378300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.378300 (E_RNA)
where:
Base-Base interactions energy: -634.264
where: short stacking energy: -281.394
Base-Backbone interact. energy: 1.345
local terms energy: -368.459739
where:
bonds (distance) C4'-P energy: -83.713
bonds (distance) P-C4' energy: -83.348
flat angles C4'-P-C4' energy: -86.473
flat angles P-C4'-P energy: -49.999
tors. eta vs tors. theta energy: -64.926
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: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1836.421974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.421974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.421974 (E_RNA)
where:
Base-Base interactions energy: -1290.361
where: short stacking energy: -563.090
Base-Backbone interact. energy: -1.898
local terms energy: -544.162684
where:
bonds (distance) C4'-P energy: -98.406
bonds (distance) P-C4' energy: -96.338
flat angles C4'-P-C4' energy: -103.172
flat angles P-C4'-P energy: -78.434
tors. eta vs tors. theta energy: -167.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1752.244017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.244017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.244017 (E_RNA)
where:
Base-Base interactions energy: -1248.018
where: short stacking energy: -504.245
Base-Backbone interact. energy: -3.185
local terms energy: -501.040323
where:
bonds (distance) C4'-P energy: -101.873
bonds (distance) P-C4' energy: -78.849
flat angles C4'-P-C4' energy: -113.722
flat angles P-C4'-P energy: -76.630
tors. eta vs tors. theta energy: -129.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1734.798898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.798898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.798898 (E_RNA)
where:
Base-Base interactions energy: -1211.037
where: short stacking energy: -510.159
Base-Backbone interact. energy: -1.395
local terms energy: -522.366945
where:
bonds (distance) C4'-P energy: -93.363
bonds (distance) P-C4' energy: -97.323
flat angles C4'-P-C4' energy: -109.609
flat angles P-C4'-P energy: -72.023
tors. eta vs tors. theta energy: -150.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1628.143202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.143202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.143202 (E_RNA)
where:
Base-Base interactions energy: -1153.715
where: short stacking energy: -475.361
Base-Backbone interact. energy: 0.840
local terms energy: -475.268954
where:
bonds (distance) C4'-P energy: -82.442
bonds (distance) P-C4' energy: -97.607
flat angles C4'-P-C4' energy: -94.756
flat angles P-C4'-P energy: -66.436
tors. eta vs tors. theta energy: -134.027
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: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1605.293150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.293150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.293150 (E_RNA)
where:
Base-Base interactions energy: -1134.274
where: short stacking energy: -466.635
Base-Backbone interact. energy: -0.161
local terms energy: -470.857756
where:
bonds (distance) C4'-P energy: -80.844
bonds (distance) P-C4' energy: -87.984
flat angles C4'-P-C4' energy: -101.543
flat angles P-C4'-P energy: -74.876
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: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1475.874237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.874237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.874237 (E_RNA)
where:
Base-Base interactions energy: -1013.263
where: short stacking energy: -440.350
Base-Backbone interact. energy: -1.789
local terms energy: -460.822236
where:
bonds (distance) C4'-P energy: -92.716
bonds (distance) P-C4' energy: -70.029
flat angles C4'-P-C4' energy: -101.028
flat angles P-C4'-P energy: -76.247
tors. eta vs tors. theta energy: -120.802
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: 44
Temperature: 1.200000
Total energy: -1411.663480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.663480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.663480 (E_RNA)
where:
Base-Base interactions energy: -988.268
where: short stacking energy: -406.763
Base-Backbone interact. energy: -1.024
local terms energy: -422.372104
where:
bonds (distance) C4'-P energy: -74.761
bonds (distance) P-C4' energy: -79.205
flat angles C4'-P-C4' energy: -93.388
flat angles P-C4'-P energy: -60.647
tors. eta vs tors. theta energy: -114.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1196.937044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.937044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.937044 (E_RNA)
where:
Base-Base interactions energy: -825.313
where: short stacking energy: -346.191
Base-Backbone interact. energy: -2.741
local terms energy: -368.882986
where:
bonds (distance) C4'-P energy: -81.560
bonds (distance) P-C4' energy: -81.154
flat angles C4'-P-C4' energy: -74.978
flat angles P-C4'-P energy: -46.010
tors. eta vs tors. theta energy: -85.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -1050.866768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.866768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.866768 (E_RNA)
where:
Base-Base interactions energy: -696.612
where: short stacking energy: -318.504
Base-Backbone interact. energy: -1.634
local terms energy: -352.620931
where:
bonds (distance) C4'-P energy: -60.678
bonds (distance) P-C4' energy: -87.963
flat angles C4'-P-C4' energy: -87.213
flat angles P-C4'-P energy: -54.208
tors. eta vs tors. theta energy: -62.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -938.220767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.220767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.220767 (E_RNA)
where:
Base-Base interactions energy: -615.437
where: short stacking energy: -280.216
Base-Backbone interact. energy: 3.637
local terms energy: -326.421187
where:
bonds (distance) C4'-P energy: -64.350
bonds (distance) P-C4' energy: -72.985
flat angles C4'-P-C4' energy: -80.857
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: -65.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1826.719016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.719016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.719016 (E_RNA)
where:
Base-Base interactions energy: -1274.074
where: short stacking energy: -543.898
Base-Backbone interact. energy: -1.491
local terms energy: -551.154585
where:
bonds (distance) C4'-P energy: -89.181
bonds (distance) P-C4' energy: -111.215
flat angles C4'-P-C4' energy: -115.444
flat angles P-C4'-P energy: -78.055
tors. eta vs tors. theta energy: -157.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1759.438186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.438186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.438186 (E_RNA)
where:
Base-Base interactions energy: -1254.589
where: short stacking energy: -511.975
Base-Backbone interact. energy: -5.202
local terms energy: -499.647357
where:
bonds (distance) C4'-P energy: -75.837
bonds (distance) P-C4' energy: -96.216
flat angles C4'-P-C4' energy: -115.017
flat angles P-C4'-P energy: -75.677
tors. eta vs tors. theta energy: -136.900
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: 45
Temperature: 1.000000
Total energy: -1697.474743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.474743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.474743 (E_RNA)
where:
Base-Base interactions energy: -1198.975
where: short stacking energy: -499.954
Base-Backbone interact. energy: -1.400
local terms energy: -497.099641
where:
bonds (distance) C4'-P energy: -85.722
bonds (distance) P-C4' energy: -89.489
flat angles C4'-P-C4' energy: -114.277
flat angles P-C4'-P energy: -65.214
tors. eta vs tors. theta energy: -142.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1644.191352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.191352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.191352 (E_RNA)
where:
Base-Base interactions energy: -1135.727
where: short stacking energy: -461.788
Base-Backbone interact. energy: 4.159
local terms energy: -512.624299
where:
bonds (distance) C4'-P energy: -88.843
bonds (distance) P-C4' energy: -100.741
flat angles C4'-P-C4' energy: -108.887
flat angles P-C4'-P energy: -78.170
tors. eta vs tors. theta energy: -135.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1569.889151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.889151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.889151 (E_RNA)
where:
Base-Base interactions energy: -1112.356
where: short stacking energy: -457.557
Base-Backbone interact. energy: -1.593
local terms energy: -455.940311
where:
bonds (distance) C4'-P energy: -67.435
bonds (distance) P-C4' energy: -85.420
flat angles C4'-P-C4' energy: -100.121
flat angles P-C4'-P energy: -72.930
tors. eta vs tors. theta energy: -130.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1473.375861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.375861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.375861 (E_RNA)
where:
Base-Base interactions energy: -1047.281
where: short stacking energy: -441.633
Base-Backbone interact. energy: -1.594
local terms energy: -424.500357
where:
bonds (distance) C4'-P energy: -79.241
bonds (distance) P-C4' energy: -68.095
flat angles C4'-P-C4' energy: -95.558
flat angles P-C4'-P energy: -52.856
tors. eta vs tors. theta energy: -128.751
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: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1453.002000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.002000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.002000 (E_RNA)
where:
Base-Base interactions energy: -1033.088
where: short stacking energy: -405.236
Base-Backbone interact. energy: 4.795
local terms energy: -424.708934
where:
bonds (distance) C4'-P energy: -70.843
bonds (distance) P-C4' energy: -83.362
flat angles C4'-P-C4' energy: -100.175
flat angles P-C4'-P energy: -62.180
tors. eta vs tors. theta energy: -108.148
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: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1185.334230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.334230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.334230 (E_RNA)
where:
Base-Base interactions energy: -789.786
where: short stacking energy: -323.929
Base-Backbone interact. energy: -5.317
local terms energy: -390.231277
where:
bonds (distance) C4'-P energy: -88.979
bonds (distance) P-C4' energy: -82.169
flat angles C4'-P-C4' energy: -81.772
flat angles P-C4'-P energy: -61.322
tors. eta vs tors. theta energy: -75.990
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: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1008.689699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.689699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.689699 (E_RNA)
where:
Base-Base interactions energy: -664.941
where: short stacking energy: -275.995
Base-Backbone interact. energy: 3.313
local terms energy: -347.062271
where:
bonds (distance) C4'-P energy: -73.314
bonds (distance) P-C4' energy: -77.783
flat angles C4'-P-C4' energy: -80.948
flat angles P-C4'-P energy: -51.713
tors. eta vs tors. theta energy: -63.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -873.026925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.026925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.026925 (E_RNA)
where:
Base-Base interactions energy: -546.278
where: short stacking energy: -253.033
Base-Backbone interact. energy: -1.813
local terms energy: -324.935207
where:
bonds (distance) C4'-P energy: -74.695
bonds (distance) P-C4' energy: -95.193
flat angles C4'-P-C4' energy: -75.617
flat angles P-C4'-P energy: -44.101
tors. eta vs tors. theta energy: -35.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1798.131916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.131916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.131916 (E_RNA)
where:
Base-Base interactions energy: -1294.693
where: short stacking energy: -521.103
Base-Backbone interact. energy: -1.003
local terms energy: -502.435970
where:
bonds (distance) C4'-P energy: -102.409
bonds (distance) P-C4' energy: -93.234
flat angles C4'-P-C4' energy: -104.018
flat angles P-C4'-P energy: -66.937
tors. eta vs tors. theta energy: -135.837
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: 8
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1771.693855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.693855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.693855 (E_RNA)
where:
Base-Base interactions energy: -1245.702
where: short stacking energy: -540.653
Base-Backbone interact. energy: -0.373
local terms energy: -525.617908
where:
bonds (distance) C4'-P energy: -90.573
bonds (distance) P-C4' energy: -86.471
flat angles C4'-P-C4' energy: -107.668
flat angles P-C4'-P energy: -81.386
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: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1659.519329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.519329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.519329 (E_RNA)
where:
Base-Base interactions energy: -1180.016
where: short stacking energy: -500.465
Base-Backbone interact. energy: -1.427
local terms energy: -478.077006
where:
bonds (distance) C4'-P energy: -76.707
bonds (distance) P-C4' energy: -80.158
flat angles C4'-P-C4' energy: -107.485
flat angles P-C4'-P energy: -74.663
tors. eta vs tors. theta energy: -139.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1580.984780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.984780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.984780 (E_RNA)
where:
Base-Base interactions energy: -1131.184
where: short stacking energy: -478.402
Base-Backbone interact. energy: -0.954
local terms energy: -448.846417
where:
bonds (distance) C4'-P energy: -86.807
bonds (distance) P-C4' energy: -71.939
flat angles C4'-P-C4' energy: -83.508
flat angles P-C4'-P energy: -74.780
tors. eta vs tors. theta energy: -131.813
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: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1593.358683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.358683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.358683 (E_RNA)
where:
Base-Base interactions energy: -1102.286
where: short stacking energy: -459.048
Base-Backbone interact. energy: -2.154
local terms energy: -488.918846
where:
bonds (distance) C4'-P energy: -77.333
bonds (distance) P-C4' energy: -102.674
flat angles C4'-P-C4' energy: -108.792
flat angles P-C4'-P energy: -68.437
tors. eta vs tors. theta energy: -131.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1475.105552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.105552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.105552 (E_RNA)
where:
Base-Base interactions energy: -1043.478
where: short stacking energy: -438.225
Base-Backbone interact. energy: 1.521
local terms energy: -433.148276
where:
bonds (distance) C4'-P energy: -71.415
bonds (distance) P-C4' energy: -78.466
flat angles C4'-P-C4' energy: -98.884
flat angles P-C4'-P energy: -70.255
tors. eta vs tors. theta energy: -114.128
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: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1454.354319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.354319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.354319 (E_RNA)
where:
Base-Base interactions energy: -1001.525
where: short stacking energy: -422.737
Base-Backbone interact. energy: -3.072
local terms energy: -449.757225
where:
bonds (distance) C4'-P energy: -71.453
bonds (distance) P-C4' energy: -89.350
flat angles C4'-P-C4' energy: -98.512
flat angles P-C4'-P energy: -70.562
tors. eta vs tors. theta energy: -119.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1166.514911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.514911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.514911 (E_RNA)
where:
Base-Base interactions energy: -767.685
where: short stacking energy: -339.834
Base-Backbone interact. energy: -1.723
local terms energy: -397.107555
where:
bonds (distance) C4'-P energy: -94.528
bonds (distance) P-C4' energy: -93.723
flat angles C4'-P-C4' energy: -78.426
flat angles P-C4'-P energy: -48.684
tors. eta vs tors. theta energy: -81.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1052.500703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.500703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.500703 (E_RNA)
where:
Base-Base interactions energy: -716.236
where: short stacking energy: -299.863
Base-Backbone interact. energy: -2.953
local terms energy: -333.311212
where:
bonds (distance) C4'-P energy: -71.600
bonds (distance) P-C4' energy: -67.455
flat angles C4'-P-C4' energy: -87.176
flat angles P-C4'-P energy: -48.716
tors. eta vs tors. theta energy: -58.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -864.484838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.484838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.484838 (E_RNA)
where:
Base-Base interactions energy: -532.715
where: short stacking energy: -246.258
Base-Backbone interact. energy: 1.087
local terms energy: -332.856863
where:
bonds (distance) C4'-P energy: -73.034
bonds (distance) P-C4' energy: -78.478
flat angles C4'-P-C4' energy: -90.294
flat angles P-C4'-P energy: -48.880
tors. eta vs tors. theta energy: -42.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1810.692940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.692940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.692940 (E_RNA)
where:
Base-Base interactions energy: -1293.434
where: short stacking energy: -533.965
Base-Backbone interact. energy: -1.305
local terms energy: -515.954606
where:
bonds (distance) C4'-P energy: -102.383
bonds (distance) P-C4' energy: -92.937
flat angles C4'-P-C4' energy: -110.273
flat angles P-C4'-P energy: -75.006
tors. eta vs tors. theta energy: -135.356
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: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1762.908065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.908065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.908065 (E_RNA)
where:
Base-Base interactions energy: -1215.110
where: short stacking energy: -525.191
Base-Backbone interact. energy: -1.751
local terms energy: -546.047075
where:
bonds (distance) C4'-P energy: -92.162
bonds (distance) P-C4' energy: -99.738
flat angles C4'-P-C4' energy: -114.948
flat angles P-C4'-P energy: -81.442
tors. eta vs tors. theta energy: -157.757
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: 47
Temperature: 1.000000
Total energy: -1705.863441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.863441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.863441 (E_RNA)
where:
Base-Base interactions energy: -1204.936
where: short stacking energy: -503.916
Base-Backbone interact. energy: -0.883
local terms energy: -500.044645
where:
bonds (distance) C4'-P energy: -94.300
bonds (distance) P-C4' energy: -86.903
flat angles C4'-P-C4' energy: -109.334
flat angles P-C4'-P energy: -62.110
tors. eta vs tors. theta energy: -147.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1614.619457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.619457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.619457 (E_RNA)
where:
Base-Base interactions energy: -1143.866
where: short stacking energy: -480.291
Base-Backbone interact. energy: -4.658
local terms energy: -466.094781
where:
bonds (distance) C4'-P energy: -89.145
bonds (distance) P-C4' energy: -79.792
flat angles C4'-P-C4' energy: -106.856
flat angles P-C4'-P energy: -66.313
tors. eta vs tors. theta energy: -123.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1580.638010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.638010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.638010 (E_RNA)
where:
Base-Base interactions energy: -1095.012
where: short stacking energy: -459.949
Base-Backbone interact. energy: -2.192
local terms energy: -483.434341
where:
bonds (distance) C4'-P energy: -88.110
bonds (distance) P-C4' energy: -74.946
flat angles C4'-P-C4' energy: -101.119
flat angles P-C4'-P energy: -83.114
tors. eta vs tors. theta energy: -136.146
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: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1511.656352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.656352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.656352 (E_RNA)
where:
Base-Base interactions energy: -1049.220
where: short stacking energy: -458.891
Base-Backbone interact. energy: -1.381
local terms energy: -461.054791
where:
bonds (distance) C4'-P energy: -91.122
bonds (distance) P-C4' energy: -86.124
flat angles C4'-P-C4' energy: -90.292
flat angles P-C4'-P energy: -60.831
tors. eta vs tors. theta energy: -132.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1366.330813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.330813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.330813 (E_RNA)
where:
Base-Base interactions energy: -932.974
where: short stacking energy: -364.040
Base-Backbone interact. energy: -1.313
local terms energy: -432.043541
where:
bonds (distance) C4'-P energy: -81.440
bonds (distance) P-C4' energy: -90.694
flat angles C4'-P-C4' energy: -102.856
flat angles P-C4'-P energy: -57.550
tors. eta vs tors. theta energy: -99.503
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: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1148.758134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.758134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.758134 (E_RNA)
where:
Base-Base interactions energy: -775.696
where: short stacking energy: -332.185
Base-Backbone interact. energy: -2.585
local terms energy: -370.477422
where:
bonds (distance) C4'-P energy: -87.509
bonds (distance) P-C4' energy: -82.427
flat angles C4'-P-C4' energy: -75.538
flat angles P-C4'-P energy: -52.188
tors. eta vs tors. theta energy: -72.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1025.563172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.563172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.563172 (E_RNA)
where:
Base-Base interactions energy: -672.264
where: short stacking energy: -282.149
Base-Backbone interact. energy: -1.473
local terms energy: -351.826131
where:
bonds (distance) C4'-P energy: -67.331
bonds (distance) P-C4' energy: -96.716
flat angles C4'-P-C4' energy: -78.903
flat angles P-C4'-P energy: -49.574
tors. eta vs tors. theta energy: -59.303
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: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -853.774747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.774747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.774747 (E_RNA)
where:
Base-Base interactions energy: -557.716
where: short stacking energy: -247.024
Base-Backbone interact. energy: -3.397
local terms energy: -292.661592
where:
bonds (distance) C4'-P energy: -64.877
bonds (distance) P-C4' energy: -78.103
flat angles C4'-P-C4' energy: -67.908
flat angles P-C4'-P energy: -41.863
tors. eta vs tors. theta energy: -39.910
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: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1807.248646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.248646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.248646 (E_RNA)
where:
Base-Base interactions energy: -1259.002
where: short stacking energy: -503.563
Base-Backbone interact. energy: -2.458
local terms energy: -545.788481
where:
bonds (distance) C4'-P energy: -106.924
bonds (distance) P-C4' energy: -107.049
flat angles C4'-P-C4' energy: -116.617
flat angles P-C4'-P energy: -83.416
tors. eta vs tors. theta energy: -131.784
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: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1752.648569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.648569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.648569 (E_RNA)
where:
Base-Base interactions energy: -1245.371
where: short stacking energy: -513.077
Base-Backbone interact. energy: -4.300
local terms energy: -502.977601
where:
bonds (distance) C4'-P energy: -88.060
bonds (distance) P-C4' energy: -91.992
flat angles C4'-P-C4' energy: -111.205
flat angles P-C4'-P energy: -73.093
tors. eta vs tors. theta energy: -138.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1716.637053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.637053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.637053 (E_RNA)
where:
Base-Base interactions energy: -1212.401
where: short stacking energy: -497.248
Base-Backbone interact. energy: -0.594
local terms energy: -503.642308
where:
bonds (distance) C4'-P energy: -88.070
bonds (distance) P-C4' energy: -98.205
flat angles C4'-P-C4' energy: -100.010
flat angles P-C4'-P energy: -74.688
tors. eta vs tors. theta energy: -142.669
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: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1628.206743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.206743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.206743 (E_RNA)
where:
Base-Base interactions energy: -1124.259
where: short stacking energy: -464.274
Base-Backbone interact. energy: -1.830
local terms energy: -502.117785
where:
bonds (distance) C4'-P energy: -77.890
bonds (distance) P-C4' energy: -104.215
flat angles C4'-P-C4' energy: -104.144
flat angles P-C4'-P energy: -79.287
tors. eta vs tors. theta energy: -136.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1589.970562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.970562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.970562 (E_RNA)
where:
Base-Base interactions energy: -1134.686
where: short stacking energy: -468.167
Base-Backbone interact. energy: 5.380
local terms energy: -460.665198
where:
bonds (distance) C4'-P energy: -83.855
bonds (distance) P-C4' energy: -89.502
flat angles C4'-P-C4' energy: -96.891
flat angles P-C4'-P energy: -64.158
tors. eta vs tors. theta energy: -126.260
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: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1566.843646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.843646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.843646 (E_RNA)
where:
Base-Base interactions energy: -1104.547
where: short stacking energy: -484.670
Base-Backbone interact. energy: 1.606
local terms energy: -463.902113
where:
bonds (distance) C4'-P energy: -84.228
bonds (distance) P-C4' energy: -87.829
flat angles C4'-P-C4' energy: -97.773
flat angles P-C4'-P energy: -63.302
tors. eta vs tors. theta energy: -130.771
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: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1409.731720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.731720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.731720 (E_RNA)
where:
Base-Base interactions energy: -978.517
where: short stacking energy: -405.718
Base-Backbone interact. energy: -0.976
local terms energy: -430.239396
where:
bonds (distance) C4'-P energy: -78.914
bonds (distance) P-C4' energy: -90.538
flat angles C4'-P-C4' energy: -93.121
flat angles P-C4'-P energy: -55.483
tors. eta vs tors. theta energy: -112.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1145.274677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.274677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.274677 (E_RNA)
where:
Base-Base interactions energy: -775.216
where: short stacking energy: -334.098
Base-Backbone interact. energy: -0.431
local terms energy: -369.627635
where:
bonds (distance) C4'-P energy: -57.595
bonds (distance) P-C4' energy: -81.123
flat angles C4'-P-C4' energy: -90.405
flat angles P-C4'-P energy: -55.470
tors. eta vs tors. theta energy: -85.034
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: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1026.353450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.353450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.353450 (E_RNA)
where:
Base-Base interactions energy: -697.169
where: short stacking energy: -291.063
Base-Backbone interact. energy: -2.028
local terms energy: -327.156822
where:
bonds (distance) C4'-P energy: -66.425
bonds (distance) P-C4' energy: -78.781
flat angles C4'-P-C4' energy: -76.187
flat angles P-C4'-P energy: -51.813
tors. eta vs tors. theta energy: -53.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -776.208769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.208769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.208769 (E_RNA)
where:
Base-Base interactions energy: -471.390
where: short stacking energy: -217.949
Base-Backbone interact. energy: -2.029
local terms energy: -302.789964
where:
bonds (distance) C4'-P energy: -76.855
bonds (distance) P-C4' energy: -96.916
flat angles C4'-P-C4' energy: -78.010
flat angles P-C4'-P energy: -39.748
tors. eta vs tors. theta energy: -11.260
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: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1811.336078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.336078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.336078 (E_RNA)
where:
Base-Base interactions energy: -1293.045
where: short stacking energy: -507.599
Base-Backbone interact. energy: -1.585
local terms energy: -516.705341
where:
bonds (distance) C4'-P energy: -98.645
bonds (distance) P-C4' energy: -93.858
flat angles C4'-P-C4' energy: -103.484
flat angles P-C4'-P energy: -77.432
tors. eta vs tors. theta energy: -143.286
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: 2, replica: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1770.749072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.749072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.749072 (E_RNA)
where:
Base-Base interactions energy: -1244.068
where: short stacking energy: -536.959
Base-Backbone interact. energy: -0.370
local terms energy: -526.310615
where:
bonds (distance) C4'-P energy: -86.426
bonds (distance) P-C4' energy: -97.645
flat angles C4'-P-C4' energy: -116.826
flat angles P-C4'-P energy: -71.286
tors. eta vs tors. theta energy: -154.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1724.217121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.217121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.217121 (E_RNA)
where:
Base-Base interactions energy: -1201.280
where: short stacking energy: -521.414
Base-Backbone interact. energy: -1.654
local terms energy: -521.283412
where:
bonds (distance) C4'-P energy: -103.202
bonds (distance) P-C4' energy: -99.122
flat angles C4'-P-C4' energy: -106.150
flat angles P-C4'-P energy: -68.477
tors. eta vs tors. theta energy: -144.332
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: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1641.101579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.101579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.101579 (E_RNA)
where:
Base-Base interactions energy: -1138.717
where: short stacking energy: -468.737
Base-Backbone interact. energy: 2.168
local terms energy: -504.553016
where:
bonds (distance) C4'-P energy: -98.958
bonds (distance) P-C4' energy: -99.188
flat angles C4'-P-C4' energy: -94.058
flat angles P-C4'-P energy: -72.167
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: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1571.017219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.017219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.017219 (E_RNA)
where:
Base-Base interactions energy: -1086.049
where: short stacking energy: -462.871
Base-Backbone interact. energy: -1.392
local terms energy: -483.576508
where:
bonds (distance) C4'-P energy: -77.094
bonds (distance) P-C4' energy: -89.183
flat angles C4'-P-C4' energy: -101.480
flat angles P-C4'-P energy: -83.112
tors. eta vs tors. theta energy: -132.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1530.454559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.454559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.454559 (E_RNA)
where:
Base-Base interactions energy: -1066.465
where: short stacking energy: -455.038
Base-Backbone interact. energy: -2.237
local terms energy: -461.752572
where:
bonds (distance) C4'-P energy: -88.021
bonds (distance) P-C4' energy: -94.826
flat angles C4'-P-C4' energy: -90.267
flat angles P-C4'-P energy: -62.221
tors. eta vs tors. theta energy: -126.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1397.424756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.424756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.424756 (E_RNA)
where:
Base-Base interactions energy: -985.281
where: short stacking energy: -408.589
Base-Backbone interact. energy: 0.050
local terms energy: -412.193692
where:
bonds (distance) C4'-P energy: -65.325
bonds (distance) P-C4' energy: -79.007
flat angles C4'-P-C4' energy: -96.374
flat angles P-C4'-P energy: -63.411
tors. eta vs tors. theta energy: -108.077
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: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1167.874238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.874238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.874238 (E_RNA)
where:
Base-Base interactions energy: -786.711
where: short stacking energy: -347.586
Base-Backbone interact. energy: -2.623
local terms energy: -378.540942
where:
bonds (distance) C4'-P energy: -71.931
bonds (distance) P-C4' energy: -74.137
flat angles C4'-P-C4' energy: -89.586
flat angles P-C4'-P energy: -65.324
tors. eta vs tors. theta energy: -77.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1063.625186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.625186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.625186 (E_RNA)
where:
Base-Base interactions energy: -710.771
where: short stacking energy: -317.288
Base-Backbone interact. energy: 3.571
local terms energy: -356.424656
where:
bonds (distance) C4'-P energy: -79.812
bonds (distance) P-C4' energy: -96.104
flat angles C4'-P-C4' energy: -78.496
flat angles P-C4'-P energy: -47.170
tors. eta vs tors. theta energy: -54.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -797.265868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.265868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.265868 (E_RNA)
where:
Base-Base interactions energy: -504.851
where: short stacking energy: -219.121
Base-Backbone interact. energy: -4.422
local terms energy: -287.992721
where:
bonds (distance) C4'-P energy: -73.504
bonds (distance) P-C4' energy: -72.629
flat angles C4'-P-C4' energy: -75.307
flat angles P-C4'-P energy: -43.507
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1825.741015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.741015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.741015 (E_RNA)
where:
Base-Base interactions energy: -1297.145
where: short stacking energy: -517.637
Base-Backbone interact. energy: -0.821
local terms energy: -527.774531
where:
bonds (distance) C4'-P energy: -102.781
bonds (distance) P-C4' energy: -100.262
flat angles C4'-P-C4' energy: -110.450
flat angles P-C4'-P energy: -74.046
tors. eta vs tors. theta energy: -140.235
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: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1805.642473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.642473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.642473 (E_RNA)
where:
Base-Base interactions energy: -1277.486
where: short stacking energy: -532.360
Base-Backbone interact. energy: -2.241
local terms energy: -525.914974
where:
bonds (distance) C4'-P energy: -90.335
bonds (distance) P-C4' energy: -94.911
flat angles C4'-P-C4' energy: -101.751
flat angles P-C4'-P energy: -81.197
tors. eta vs tors. theta energy: -157.721
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: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1678.986388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.986388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.986388 (E_RNA)
where:
Base-Base interactions energy: -1192.639
where: short stacking energy: -507.153
Base-Backbone interact. energy: 1.279
local terms energy: -487.626571
where:
bonds (distance) C4'-P energy: -81.761
bonds (distance) P-C4' energy: -89.414
flat angles C4'-P-C4' energy: -101.672
flat angles P-C4'-P energy: -76.695
tors. eta vs tors. theta energy: -138.085
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: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1628.080974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.080974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.080974 (E_RNA)
where:
Base-Base interactions energy: -1156.986
where: short stacking energy: -492.855
Base-Backbone interact. energy: -0.279
local terms energy: -470.815170
where:
bonds (distance) C4'-P energy: -92.206
bonds (distance) P-C4' energy: -70.085
flat angles C4'-P-C4' energy: -93.683
flat angles P-C4'-P energy: -70.247
tors. eta vs tors. theta energy: -144.594
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: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1591.443030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.443030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.443030 (E_RNA)
where:
Base-Base interactions energy: -1116.825
where: short stacking energy: -493.165
Base-Backbone interact. energy: 2.852
local terms energy: -477.469925
where:
bonds (distance) C4'-P energy: -76.697
bonds (distance) P-C4' energy: -83.088
flat angles C4'-P-C4' energy: -106.863
flat angles P-C4'-P energy: -71.723
tors. eta vs tors. theta energy: -139.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1476.779824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.779824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.779824 (E_RNA)
where:
Base-Base interactions energy: -1029.649
where: short stacking energy: -427.034
Base-Backbone interact. energy: -1.500
local terms energy: -445.631201
where:
bonds (distance) C4'-P energy: -78.251
bonds (distance) P-C4' energy: -74.709
flat angles C4'-P-C4' energy: -105.898
flat angles P-C4'-P energy: -64.894
tors. eta vs tors. theta energy: -121.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1412.658370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.658370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.658370 (E_RNA)
where:
Base-Base interactions energy: -982.589
where: short stacking energy: -397.934
Base-Backbone interact. energy: 2.234
local terms energy: -432.302999
where:
bonds (distance) C4'-P energy: -76.123
bonds (distance) P-C4' energy: -89.154
flat angles C4'-P-C4' energy: -98.311
flat angles P-C4'-P energy: -67.456
tors. eta vs tors. theta energy: -101.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1163.361770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.361770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.361770 (E_RNA)
where:
Base-Base interactions energy: -798.442
where: short stacking energy: -339.825
Base-Backbone interact. energy: -2.339
local terms energy: -362.581060
where:
bonds (distance) C4'-P energy: -66.782
bonds (distance) P-C4' energy: -70.041
flat angles C4'-P-C4' energy: -95.526
flat angles P-C4'-P energy: -49.755
tors. eta vs tors. theta energy: -80.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -1014.516583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.516583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.516583 (E_RNA)
where:
Base-Base interactions energy: -659.178
where: short stacking energy: -292.978
Base-Backbone interact. energy: 3.841
local terms energy: -359.179103
where:
bonds (distance) C4'-P energy: -83.839
bonds (distance) P-C4' energy: -81.499
flat angles C4'-P-C4' energy: -81.476
flat angles P-C4'-P energy: -51.089
tors. eta vs tors. theta energy: -61.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -824.918745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.918745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.918745 (E_RNA)
where:
Base-Base interactions energy: -507.013
where: short stacking energy: -256.440
Base-Backbone interact. energy: 2.976
local terms energy: -320.881844
where:
bonds (distance) C4'-P energy: -65.736
bonds (distance) P-C4' energy: -93.873
flat angles C4'-P-C4' energy: -74.201
flat angles P-C4'-P energy: -51.420
tors. eta vs tors. theta energy: -35.652
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: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1806.776443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.776443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.776443 (E_RNA)
where:
Base-Base interactions energy: -1294.002
where: short stacking energy: -520.966
Base-Backbone interact. energy: 0.425
local terms energy: -513.199109
where:
bonds (distance) C4'-P energy: -93.447
bonds (distance) P-C4' energy: -93.344
flat angles C4'-P-C4' energy: -109.148
flat angles P-C4'-P energy: -80.277
tors. eta vs tors. theta energy: -136.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1795.590911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.590911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.590911 (E_RNA)
where:
Base-Base interactions energy: -1282.177
where: short stacking energy: -549.695
Base-Backbone interact. energy: -0.874
local terms energy: -512.539546
where:
bonds (distance) C4'-P energy: -93.970
bonds (distance) P-C4' energy: -81.456
flat angles C4'-P-C4' energy: -113.270
flat angles P-C4'-P energy: -64.999
tors. eta vs tors. theta energy: -158.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1691.153535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.153535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.153535 (E_RNA)
where:
Base-Base interactions energy: -1190.723
where: short stacking energy: -493.863
Base-Backbone interact. energy: -2.549
local terms energy: -497.880854
where:
bonds (distance) C4'-P energy: -90.621
bonds (distance) P-C4' energy: -79.545
flat angles C4'-P-C4' energy: -108.353
flat angles P-C4'-P energy: -75.067
tors. eta vs tors. theta energy: -144.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1609.061373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.061373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.061373 (E_RNA)
where:
Base-Base interactions energy: -1139.871
where: short stacking energy: -477.156
Base-Backbone interact. energy: 0.399
local terms energy: -469.589489
where:
bonds (distance) C4'-P energy: -85.333
bonds (distance) P-C4' energy: -88.853
flat angles C4'-P-C4' energy: -106.029
flat angles P-C4'-P energy: -57.537
tors. eta vs tors. theta energy: -131.837
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: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1608.053907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.053907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.053907 (E_RNA)
where:
Base-Base interactions energy: -1120.700
where: short stacking energy: -478.943
Base-Backbone interact. energy: -1.430
local terms energy: -485.924028
where:
bonds (distance) C4'-P energy: -83.063
bonds (distance) P-C4' energy: -80.234
flat angles C4'-P-C4' energy: -106.343
flat angles P-C4'-P energy: -74.800
tors. eta vs tors. theta energy: -141.484
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: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1543.743168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.743168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.743168 (E_RNA)
where:
Base-Base interactions energy: -1083.963
where: short stacking energy: -447.370
Base-Backbone interact. energy: 0.780
local terms energy: -460.560093
where:
bonds (distance) C4'-P energy: -84.507
bonds (distance) P-C4' energy: -94.282
flat angles C4'-P-C4' energy: -92.423
flat angles P-C4'-P energy: -63.201
tors. eta vs tors. theta energy: -126.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1424.065613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.065613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.065613 (E_RNA)
where:
Base-Base interactions energy: -977.194
where: short stacking energy: -433.620
Base-Backbone interact. energy: 0.530
local terms energy: -447.401685
where:
bonds (distance) C4'-P energy: -74.945
bonds (distance) P-C4' energy: -87.252
flat angles C4'-P-C4' energy: -104.455
flat angles P-C4'-P energy: -73.685
tors. eta vs tors. theta energy: -107.064
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: 51
Temperature: 1.250000
Total energy: -1147.923180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.923180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.923180 (E_RNA)
where:
Base-Base interactions energy: -747.375
where: short stacking energy: -355.428
Base-Backbone interact. energy: -1.367
local terms energy: -399.180982
where:
bonds (distance) C4'-P energy: -87.509
bonds (distance) P-C4' energy: -76.617
flat angles C4'-P-C4' energy: -99.300
flat angles P-C4'-P energy: -51.529
tors. eta vs tors. theta energy: -84.225
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: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -988.453583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.453583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.453583 (E_RNA)
where:
Base-Base interactions energy: -658.738
where: short stacking energy: -304.453
Base-Backbone interact. energy: -0.483
local terms energy: -329.232754
where:
bonds (distance) C4'-P energy: -79.815
bonds (distance) P-C4' energy: -73.461
flat angles C4'-P-C4' energy: -82.653
flat angles P-C4'-P energy: -34.958
tors. eta vs tors. theta energy: -58.345
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: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -818.098509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.098509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.098509 (E_RNA)
where:
Base-Base interactions energy: -512.572
where: short stacking energy: -249.975
Base-Backbone interact. energy: 1.107
local terms energy: -306.633143
where:
bonds (distance) C4'-P energy: -80.462
bonds (distance) P-C4' energy: -83.413
flat angles C4'-P-C4' energy: -63.967
flat angles P-C4'-P energy: -38.732
tors. eta vs tors. theta energy: -40.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1777.185958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.185958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.185958 (E_RNA)
where:
Base-Base interactions energy: -1264.251
where: short stacking energy: -505.919
Base-Backbone interact. energy: -3.237
local terms energy: -509.697428
where:
bonds (distance) C4'-P energy: -94.290
bonds (distance) P-C4' energy: -104.745
flat angles C4'-P-C4' energy: -99.581
flat angles P-C4'-P energy: -77.002
tors. eta vs tors. theta energy: -134.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1768.853080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.853080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.853080 (E_RNA)
where:
Base-Base interactions energy: -1235.081
where: short stacking energy: -522.632
Base-Backbone interact. energy: -0.571
local terms energy: -533.200681
where:
bonds (distance) C4'-P energy: -101.328
bonds (distance) P-C4' energy: -86.688
flat angles C4'-P-C4' energy: -113.414
flat angles P-C4'-P energy: -79.667
tors. eta vs tors. theta energy: -152.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1697.304306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.304306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.304306 (E_RNA)
where:
Base-Base interactions energy: -1186.896
where: short stacking energy: -490.896
Base-Backbone interact. energy: -2.562
local terms energy: -507.846273
where:
bonds (distance) C4'-P energy: -92.005
bonds (distance) P-C4' energy: -85.231
flat angles C4'-P-C4' energy: -111.665
flat angles P-C4'-P energy: -79.633
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: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1580.108857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.108857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.108857 (E_RNA)
where:
Base-Base interactions energy: -1100.709
where: short stacking energy: -448.595
Base-Backbone interact. energy: 1.564
local terms energy: -480.963507
where:
bonds (distance) C4'-P energy: -93.042
bonds (distance) P-C4' energy: -85.301
flat angles C4'-P-C4' energy: -106.765
flat angles P-C4'-P energy: -71.033
tors. eta vs tors. theta energy: -124.822
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: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1594.001719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.001719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.001719 (E_RNA)
where:
Base-Base interactions energy: -1108.804
where: short stacking energy: -484.229
Base-Backbone interact. energy: 0.768
local terms energy: -485.966388
where:
bonds (distance) C4'-P energy: -86.038
bonds (distance) P-C4' energy: -92.859
flat angles C4'-P-C4' energy: -106.890
flat angles P-C4'-P energy: -65.969
tors. eta vs tors. theta energy: -134.211
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: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1505.516414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.516414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.516414 (E_RNA)
where:
Base-Base interactions energy: -1046.294
where: short stacking energy: -441.873
Base-Backbone interact. energy: -1.072
local terms energy: -458.150748
where:
bonds (distance) C4'-P energy: -77.667
bonds (distance) P-C4' energy: -101.616
flat angles C4'-P-C4' energy: -102.152
flat angles P-C4'-P energy: -60.704
tors. eta vs tors. theta energy: -116.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1473.008162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.008162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.008162 (E_RNA)
where:
Base-Base interactions energy: -1059.240
where: short stacking energy: -435.392
Base-Backbone interact. energy: 0.329
local terms energy: -414.096622
where:
bonds (distance) C4'-P energy: -67.812
bonds (distance) P-C4' energy: -79.034
flat angles C4'-P-C4' energy: -85.574
flat angles P-C4'-P energy: -63.709
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: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1161.817275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.817275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.817275 (E_RNA)
where:
Base-Base interactions energy: -801.260
where: short stacking energy: -322.348
Base-Backbone interact. energy: -2.134
local terms energy: -358.423283
where:
bonds (distance) C4'-P energy: -69.730
bonds (distance) P-C4' energy: -77.442
flat angles C4'-P-C4' energy: -85.477
flat angles P-C4'-P energy: -42.099
tors. eta vs tors. theta energy: -83.675
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: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1060.799134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.799134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.799134 (E_RNA)
where:
Base-Base interactions energy: -704.152
where: short stacking energy: -311.694
Base-Backbone interact. energy: -0.497
local terms energy: -356.150238
where:
bonds (distance) C4'-P energy: -56.150
bonds (distance) P-C4' energy: -89.193
flat angles C4'-P-C4' energy: -78.151
flat angles P-C4'-P energy: -53.699
tors. eta vs tors. theta energy: -78.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -881.511566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.511566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.511566 (E_RNA)
where:
Base-Base interactions energy: -580.601
where: short stacking energy: -260.606
Base-Backbone interact. energy: 5.880
local terms energy: -306.790333
where:
bonds (distance) C4'-P energy: -56.420
bonds (distance) P-C4' energy: -81.269
flat angles C4'-P-C4' energy: -63.872
flat angles P-C4'-P energy: -58.500
tors. eta vs tors. theta energy: -46.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1822.104189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.104189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.104189 (E_RNA)
where:
Base-Base interactions energy: -1313.061
where: short stacking energy: -528.674
Base-Backbone interact. energy: 3.924
local terms energy: -512.967421
where:
bonds (distance) C4'-P energy: -90.383
bonds (distance) P-C4' energy: -104.568
flat angles C4'-P-C4' energy: -101.356
flat angles P-C4'-P energy: -79.797
tors. eta vs tors. theta energy: -136.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1769.820396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.820396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.820396 (E_RNA)
where:
Base-Base interactions energy: -1259.697
where: short stacking energy: -529.893
Base-Backbone interact. energy: -0.563
local terms energy: -509.559868
where:
bonds (distance) C4'-P energy: -100.965
bonds (distance) P-C4' energy: -73.573
flat angles C4'-P-C4' energy: -110.090
flat angles P-C4'-P energy: -73.222
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: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1716.715651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.715651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.715651 (E_RNA)
where:
Base-Base interactions energy: -1212.971
where: short stacking energy: -508.222
Base-Backbone interact. energy: 0.743
local terms energy: -504.488195
where:
bonds (distance) C4'-P energy: -92.227
bonds (distance) P-C4' energy: -80.369
flat angles C4'-P-C4' energy: -116.641
flat angles P-C4'-P energy: -71.989
tors. eta vs tors. theta energy: -143.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1657.553678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.553678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.553678 (E_RNA)
where:
Base-Base interactions energy: -1183.588
where: short stacking energy: -483.522
Base-Backbone interact. energy: -0.715
local terms energy: -473.251259
where:
bonds (distance) C4'-P energy: -73.533
bonds (distance) P-C4' energy: -87.750
flat angles C4'-P-C4' energy: -107.687
flat angles P-C4'-P energy: -66.869
tors. eta vs tors. theta energy: -137.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1567.565056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.565056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.565056 (E_RNA)
where:
Base-Base interactions energy: -1085.659
where: short stacking energy: -435.794
Base-Backbone interact. energy: -0.159
local terms energy: -481.746975
where:
bonds (distance) C4'-P energy: -81.629
bonds (distance) P-C4' energy: -101.966
flat angles C4'-P-C4' energy: -100.304
flat angles P-C4'-P energy: -63.656
tors. eta vs tors. theta energy: -134.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1522.344800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.344800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.344800 (E_RNA)
where:
Base-Base interactions energy: -1059.356
where: short stacking energy: -425.216
Base-Backbone interact. energy: -1.307
local terms energy: -461.681640
where:
bonds (distance) C4'-P energy: -81.462
bonds (distance) P-C4' energy: -76.222
flat angles C4'-P-C4' energy: -101.145
flat angles P-C4'-P energy: -79.282
tors. eta vs tors. theta energy: -123.571
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: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1457.831700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.831700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.831700 (E_RNA)
where:
Base-Base interactions energy: -1051.703
where: short stacking energy: -428.066
Base-Backbone interact. energy: 2.036
local terms energy: -408.164464
where:
bonds (distance) C4'-P energy: -88.182
bonds (distance) P-C4' energy: -64.167
flat angles C4'-P-C4' energy: -95.013
flat angles P-C4'-P energy: -53.830
tors. eta vs tors. theta energy: -106.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1132.378783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.378783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.378783 (E_RNA)
where:
Base-Base interactions energy: -766.347
where: short stacking energy: -339.093
Base-Backbone interact. energy: 7.153
local terms energy: -373.184045
where:
bonds (distance) C4'-P energy: -79.027
bonds (distance) P-C4' energy: -69.671
flat angles C4'-P-C4' energy: -88.720
flat angles P-C4'-P energy: -73.356
tors. eta vs tors. theta energy: -62.410
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: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1178.491945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.491945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.491945 (E_RNA)
where:
Base-Base interactions energy: -801.466
where: short stacking energy: -333.928
Base-Backbone interact. energy: 0.921
local terms energy: -377.947236
where:
bonds (distance) C4'-P energy: -94.431
bonds (distance) P-C4' energy: -80.032
flat angles C4'-P-C4' energy: -75.046
flat angles P-C4'-P energy: -54.503
tors. eta vs tors. theta energy: -73.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -775.742143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.742143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.742143 (E_RNA)
where:
Base-Base interactions energy: -482.897
where: short stacking energy: -225.193
Base-Backbone interact. energy: -1.842
local terms energy: -291.003132
where:
bonds (distance) C4'-P energy: -65.248
bonds (distance) P-C4' energy: -70.415
flat angles C4'-P-C4' energy: -80.614
flat angles P-C4'-P energy: -35.842
tors. eta vs tors. theta energy: -38.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1833.094632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.094632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.094632 (E_RNA)
where:
Base-Base interactions energy: -1291.441
where: short stacking energy: -548.697
Base-Backbone interact. energy: -0.591
local terms energy: -541.062597
where:
bonds (distance) C4'-P energy: -90.575
bonds (distance) P-C4' energy: -97.885
flat angles C4'-P-C4' energy: -118.441
flat angles P-C4'-P energy: -75.467
tors. eta vs tors. theta energy: -158.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1786.889336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.889336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.889336 (E_RNA)
where:
Base-Base interactions energy: -1281.712
where: short stacking energy: -493.949
Base-Backbone interact. energy: 0.436
local terms energy: -505.613039
where:
bonds (distance) C4'-P energy: -87.427
bonds (distance) P-C4' energy: -98.138
flat angles C4'-P-C4' energy: -106.363
flat angles P-C4'-P energy: -78.590
tors. eta vs tors. theta energy: -135.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1691.165255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.165255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.165255 (E_RNA)
where:
Base-Base interactions energy: -1173.040
where: short stacking energy: -503.880
Base-Backbone interact. energy: -0.648
local terms energy: -517.476692
where:
bonds (distance) C4'-P energy: -95.152
bonds (distance) P-C4' energy: -96.405
flat angles C4'-P-C4' energy: -108.028
flat angles P-C4'-P energy: -78.577
tors. eta vs tors. theta energy: -139.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1630.203748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.203748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.203748 (E_RNA)
where:
Base-Base interactions energy: -1135.523
where: short stacking energy: -480.139
Base-Backbone interact. energy: -1.899
local terms energy: -492.781886
where:
bonds (distance) C4'-P energy: -84.703
bonds (distance) P-C4' energy: -92.901
flat angles C4'-P-C4' energy: -106.235
flat angles P-C4'-P energy: -75.701
tors. eta vs tors. theta energy: -133.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1557.721153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.721153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.721153 (E_RNA)
where:
Base-Base interactions energy: -1095.865
where: short stacking energy: -460.053
Base-Backbone interact. energy: -0.773
local terms energy: -461.083198
where:
bonds (distance) C4'-P energy: -80.682
bonds (distance) P-C4' energy: -83.319
flat angles C4'-P-C4' energy: -102.730
flat angles P-C4'-P energy: -67.585
tors. eta vs tors. theta energy: -126.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1520.770033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.770033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.770033 (E_RNA)
where:
Base-Base interactions energy: -1056.541
where: short stacking energy: -440.225
Base-Backbone interact. energy: 0.361
local terms energy: -464.589900
where:
bonds (distance) C4'-P energy: -91.495
bonds (distance) P-C4' energy: -86.490
flat angles C4'-P-C4' energy: -96.675
flat angles P-C4'-P energy: -70.701
tors. eta vs tors. theta energy: -119.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1460.583924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.583924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.583924 (E_RNA)
where:
Base-Base interactions energy: -1011.510
where: short stacking energy: -402.941
Base-Backbone interact. energy: -1.280
local terms energy: -447.794201
where:
bonds (distance) C4'-P energy: -83.453
bonds (distance) P-C4' energy: -86.434
flat angles C4'-P-C4' energy: -88.037
flat angles P-C4'-P energy: -77.938
tors. eta vs tors. theta energy: -111.932
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: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1138.947470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.947470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.947470 (E_RNA)
where:
Base-Base interactions energy: -766.931
where: short stacking energy: -325.432
Base-Backbone interact. energy: -0.497
local terms energy: -371.519354
where:
bonds (distance) C4'-P energy: -79.579
bonds (distance) P-C4' energy: -78.746
flat angles C4'-P-C4' energy: -80.074
flat angles P-C4'-P energy: -52.369
tors. eta vs tors. theta energy: -80.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1134.968758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.968758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.968758 (E_RNA)
where:
Base-Base interactions energy: -754.180
where: short stacking energy: -325.915
Base-Backbone interact. energy: -1.786
local terms energy: -379.002952
where:
bonds (distance) C4'-P energy: -60.468
bonds (distance) P-C4' energy: -86.339
flat angles C4'-P-C4' energy: -80.095
flat angles P-C4'-P energy: -63.149
tors. eta vs tors. theta energy: -88.952
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: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -733.144654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.144654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.144654 (E_RNA)
where:
Base-Base interactions energy: -404.708
where: short stacking energy: -181.992
Base-Backbone interact. energy: 4.693
local terms energy: -333.129740
where:
bonds (distance) C4'-P energy: -83.130
bonds (distance) P-C4' energy: -98.673
flat angles C4'-P-C4' energy: -76.270
flat angles P-C4'-P energy: -48.463
tors. eta vs tors. theta energy: -26.595
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: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1803.911294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.911294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.911294 (E_RNA)
where:
Base-Base interactions energy: -1280.510
where: short stacking energy: -539.442
Base-Backbone interact. energy: -1.053
local terms energy: -522.347788
where:
bonds (distance) C4'-P energy: -92.878
bonds (distance) P-C4' energy: -95.018
flat angles C4'-P-C4' energy: -110.593
flat angles P-C4'-P energy: -67.037
tors. eta vs tors. theta energy: -156.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1736.650345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.650345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.650345 (E_RNA)
where:
Base-Base interactions energy: -1212.255
where: short stacking energy: -516.629
Base-Backbone interact. energy: -2.538
local terms energy: -521.857924
where:
bonds (distance) C4'-P energy: -99.192
bonds (distance) P-C4' energy: -99.667
flat angles C4'-P-C4' energy: -111.305
flat angles P-C4'-P energy: -66.891
tors. eta vs tors. theta energy: -144.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1699.840043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.840043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.840043 (E_RNA)
where:
Base-Base interactions energy: -1238.919
where: short stacking energy: -480.356
Base-Backbone interact. energy: -0.805
local terms energy: -460.116214
where:
bonds (distance) C4'-P energy: -76.210
bonds (distance) P-C4' energy: -86.972
flat angles C4'-P-C4' energy: -95.557
flat angles P-C4'-P energy: -73.130
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: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1643.287557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.287557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.287557 (E_RNA)
where:
Base-Base interactions energy: -1143.321
where: short stacking energy: -497.110
Base-Backbone interact. energy: -0.439
local terms energy: -499.527138
where:
bonds (distance) C4'-P energy: -79.625
bonds (distance) P-C4' energy: -87.498
flat angles C4'-P-C4' energy: -109.105
flat angles P-C4'-P energy: -78.988
tors. eta vs tors. theta energy: -144.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1558.766947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.766947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.766947 (E_RNA)
where:
Base-Base interactions energy: -1085.154
where: short stacking energy: -463.343
Base-Backbone interact. energy: 0.078
local terms energy: -473.690553
where:
bonds (distance) C4'-P energy: -89.647
bonds (distance) P-C4' energy: -87.384
flat angles C4'-P-C4' energy: -99.421
flat angles P-C4'-P energy: -65.214
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: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1512.864673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.864673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.864673 (E_RNA)
where:
Base-Base interactions energy: -1062.852
where: short stacking energy: -450.701
Base-Backbone interact. energy: -1.452
local terms energy: -448.560744
where:
bonds (distance) C4'-P energy: -72.380
bonds (distance) P-C4' energy: -94.965
flat angles C4'-P-C4' energy: -96.210
flat angles P-C4'-P energy: -63.117
tors. eta vs tors. theta energy: -121.889
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: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1409.042502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.042502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.042502 (E_RNA)
where:
Base-Base interactions energy: -958.419
where: short stacking energy: -418.156
Base-Backbone interact. energy: -1.944
local terms energy: -448.679448
where:
bonds (distance) C4'-P energy: -86.302
bonds (distance) P-C4' energy: -81.982
flat angles C4'-P-C4' energy: -88.278
flat angles P-C4'-P energy: -73.888
tors. eta vs tors. theta energy: -118.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1231.126462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.126462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.126462 (E_RNA)
where:
Base-Base interactions energy: -859.136
where: short stacking energy: -355.332
Base-Backbone interact. energy: -0.897
local terms energy: -371.093795
where:
bonds (distance) C4'-P energy: -68.847
bonds (distance) P-C4' energy: -71.581
flat angles C4'-P-C4' energy: -90.427
flat angles P-C4'-P energy: -53.582
tors. eta vs tors. theta energy: -86.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1113.888505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.888505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.888505 (E_RNA)
where:
Base-Base interactions energy: -762.095
where: short stacking energy: -315.789
Base-Backbone interact. energy: -1.148
local terms energy: -350.645167
where:
bonds (distance) C4'-P energy: -79.471
bonds (distance) P-C4' energy: -66.492
flat angles C4'-P-C4' energy: -73.347
flat angles P-C4'-P energy: -59.611
tors. eta vs tors. theta energy: -71.724
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: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -706.372094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.372094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.372094 (E_RNA)
where:
Base-Base interactions energy: -417.141
where: short stacking energy: -186.855
Base-Backbone interact. energy: 0.698
local terms energy: -289.929127
where:
bonds (distance) C4'-P energy: -57.775
bonds (distance) P-C4' energy: -80.769
flat angles C4'-P-C4' energy: -72.886
flat angles P-C4'-P energy: -56.865
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1835.272090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.272090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.272090 (E_RNA)
where:
Base-Base interactions energy: -1266.579
where: short stacking energy: -550.259
Base-Backbone interact. energy: -0.300
local terms energy: -568.393352
where:
bonds (distance) C4'-P energy: -106.185
bonds (distance) P-C4' energy: -97.631
flat angles C4'-P-C4' energy: -122.790
flat angles P-C4'-P energy: -84.395
tors. eta vs tors. theta energy: -157.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1759.920618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.920618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.920618 (E_RNA)
where:
Base-Base interactions energy: -1213.538
where: short stacking energy: -507.052
Base-Backbone interact. energy: -2.923
local terms energy: -543.459575
where:
bonds (distance) C4'-P energy: -97.618
bonds (distance) P-C4' energy: -101.138
flat angles C4'-P-C4' energy: -113.431
flat angles P-C4'-P energy: -79.034
tors. eta vs tors. theta energy: -152.238
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: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1666.570979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.570979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.570979 (E_RNA)
where:
Base-Base interactions energy: -1176.771
where: short stacking energy: -493.973
Base-Backbone interact. energy: -0.128
local terms energy: -489.672205
where:
bonds (distance) C4'-P energy: -97.426
bonds (distance) P-C4' energy: -93.309
flat angles C4'-P-C4' energy: -92.744
flat angles P-C4'-P energy: -67.227
tors. eta vs tors. theta energy: -138.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1625.502315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.502315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.502315 (E_RNA)
where:
Base-Base interactions energy: -1138.979
where: short stacking energy: -492.283
Base-Backbone interact. energy: -0.416
local terms energy: -486.107512
where:
bonds (distance) C4'-P energy: -92.769
bonds (distance) P-C4' energy: -86.260
flat angles C4'-P-C4' energy: -102.388
flat angles P-C4'-P energy: -69.195
tors. eta vs tors. theta energy: -135.495
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: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1577.915850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.915850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.915850 (E_RNA)
where:
Base-Base interactions energy: -1114.674
where: short stacking energy: -442.021
Base-Backbone interact. energy: 2.377
local terms energy: -465.618999
where:
bonds (distance) C4'-P energy: -76.656
bonds (distance) P-C4' energy: -95.399
flat angles C4'-P-C4' energy: -96.327
flat angles P-C4'-P energy: -71.529
tors. eta vs tors. theta energy: -125.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1519.226602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.226602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.226602 (E_RNA)
where:
Base-Base interactions energy: -1062.192
where: short stacking energy: -437.535
Base-Backbone interact. energy: -0.757
local terms energy: -456.277947
where:
bonds (distance) C4'-P energy: -91.469
bonds (distance) P-C4' energy: -71.953
flat angles C4'-P-C4' energy: -104.434
flat angles P-C4'-P energy: -75.937
tors. eta vs tors. theta energy: -112.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1394.369041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.369041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.369041 (E_RNA)
where:
Base-Base interactions energy: -971.708
where: short stacking energy: -406.316
Base-Backbone interact. energy: 0.673
local terms energy: -423.334554
where:
bonds (distance) C4'-P energy: -61.920
bonds (distance) P-C4' energy: -97.843
flat angles C4'-P-C4' energy: -99.351
flat angles P-C4'-P energy: -69.448
tors. eta vs tors. theta energy: -94.773
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: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1149.572168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.572168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.572168 (E_RNA)
where:
Base-Base interactions energy: -753.464
where: short stacking energy: -320.275
Base-Backbone interact. energy: -1.274
local terms energy: -394.833847
where:
bonds (distance) C4'-P energy: -81.820
bonds (distance) P-C4' energy: -93.974
flat angles C4'-P-C4' energy: -93.577
flat angles P-C4'-P energy: -50.332
tors. eta vs tors. theta energy: -75.132
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: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1090.809729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.809729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.809729 (E_RNA)
where:
Base-Base interactions energy: -709.430
where: short stacking energy: -306.305
Base-Backbone interact. energy: -1.027
local terms energy: -380.352000
where:
bonds (distance) C4'-P energy: -80.335
bonds (distance) P-C4' energy: -81.992
flat angles C4'-P-C4' energy: -83.985
flat angles P-C4'-P energy: -61.086
tors. eta vs tors. theta energy: -72.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -749.576029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.576029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.576029 (E_RNA)
where:
Base-Base interactions energy: -427.955
where: short stacking energy: -211.121
Base-Backbone interact. energy: -2.048
local terms energy: -319.572552
where:
bonds (distance) C4'-P energy: -79.246
bonds (distance) P-C4' energy: -92.889
flat angles C4'-P-C4' energy: -78.534
flat angles P-C4'-P energy: -50.201
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1846.273863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.273863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.273863 (E_RNA)
where:
Base-Base interactions energy: -1288.976
where: short stacking energy: -549.925
Base-Backbone interact. energy: 0.750
local terms energy: -558.047984
where:
bonds (distance) C4'-P energy: -107.127
bonds (distance) P-C4' energy: -98.592
flat angles C4'-P-C4' energy: -117.676
flat angles P-C4'-P energy: -75.937
tors. eta vs tors. theta energy: -158.716
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: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1747.630173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.630173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.630173 (E_RNA)
where:
Base-Base interactions energy: -1243.290
where: short stacking energy: -517.551
Base-Backbone interact. energy: -0.087
local terms energy: -504.253045
where:
bonds (distance) C4'-P energy: -73.954
bonds (distance) P-C4' energy: -93.478
flat angles C4'-P-C4' energy: -109.361
flat angles P-C4'-P energy: -75.016
tors. eta vs tors. theta energy: -152.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1651.226379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.226379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.226379 (E_RNA)
where:
Base-Base interactions energy: -1184.337
where: short stacking energy: -481.712
Base-Backbone interact. energy: -1.127
local terms energy: -465.762563
where:
bonds (distance) C4'-P energy: -82.311
bonds (distance) P-C4' energy: -95.052
flat angles C4'-P-C4' energy: -104.316
flat angles P-C4'-P energy: -56.890
tors. eta vs tors. theta energy: -127.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1634.003140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.003140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.003140 (E_RNA)
where:
Base-Base interactions energy: -1129.776
where: short stacking energy: -483.378
Base-Backbone interact. energy: -1.503
local terms energy: -502.724574
where:
bonds (distance) C4'-P energy: -85.438
bonds (distance) P-C4' energy: -95.483
flat angles C4'-P-C4' energy: -104.988
flat angles P-C4'-P energy: -78.829
tors. eta vs tors. theta energy: -137.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1599.216343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.216343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.216343 (E_RNA)
where:
Base-Base interactions energy: -1123.443
where: short stacking energy: -477.657
Base-Backbone interact. energy: -2.098
local terms energy: -473.676301
where:
bonds (distance) C4'-P energy: -82.266
bonds (distance) P-C4' energy: -84.497
flat angles C4'-P-C4' energy: -112.075
flat angles P-C4'-P energy: -66.359
tors. eta vs tors. theta energy: -128.479
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: 57
Temperature: 1.150000
Total energy: -1503.663934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.663934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.663934 (E_RNA)
where:
Base-Base interactions energy: -1017.117
where: short stacking energy: -419.800
Base-Backbone interact. energy: -1.583
local terms energy: -484.963970
where:
bonds (distance) C4'-P energy: -87.050
bonds (distance) P-C4' energy: -96.962
flat angles C4'-P-C4' energy: -104.556
flat angles P-C4'-P energy: -72.527
tors. eta vs tors. theta energy: -123.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1423.469513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.469513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.469513 (E_RNA)
where:
Base-Base interactions energy: -971.624
where: short stacking energy: -390.780
Base-Backbone interact. energy: 4.460
local terms energy: -456.305866
where:
bonds (distance) C4'-P energy: -96.725
bonds (distance) P-C4' energy: -85.191
flat angles C4'-P-C4' energy: -92.472
flat angles P-C4'-P energy: -69.768
tors. eta vs tors. theta energy: -112.149
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: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1118.979066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.979066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.979066 (E_RNA)
where:
Base-Base interactions energy: -755.444
where: short stacking energy: -308.947
Base-Backbone interact. energy: -0.849
local terms energy: -362.686881
where:
bonds (distance) C4'-P energy: -79.403
bonds (distance) P-C4' energy: -88.094
flat angles C4'-P-C4' energy: -72.117
flat angles P-C4'-P energy: -51.437
tors. eta vs tors. theta energy: -71.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1096.548531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.548531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.548531 (E_RNA)
where:
Base-Base interactions energy: -777.340
where: short stacking energy: -334.280
Base-Backbone interact. energy: 0.898
local terms energy: -320.107024
where:
bonds (distance) C4'-P energy: -71.090
bonds (distance) P-C4' energy: -60.989
flat angles C4'-P-C4' energy: -79.889
flat angles P-C4'-P energy: -36.051
tors. eta vs tors. theta energy: -72.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -726.196399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.196399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.196399 (E_RNA)
where:
Base-Base interactions energy: -443.907
where: short stacking energy: -191.508
Base-Backbone interact. energy: 2.757
local terms energy: -285.046563
where:
bonds (distance) C4'-P energy: -78.742
bonds (distance) P-C4' energy: -94.985
flat angles C4'-P-C4' energy: -62.492
flat angles P-C4'-P energy: -41.775
tors. eta vs tors. theta energy: -7.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1862.131232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.131232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.131232 (E_RNA)
where:
Base-Base interactions energy: -1325.839
where: short stacking energy: -540.666
Base-Backbone interact. energy: -1.728
local terms energy: -534.564009
where:
bonds (distance) C4'-P energy: -87.909
bonds (distance) P-C4' energy: -107.161
flat angles C4'-P-C4' energy: -112.458
flat angles P-C4'-P energy: -71.407
tors. eta vs tors. theta energy: -155.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1785.947808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.947808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.947808 (E_RNA)
where:
Base-Base interactions energy: -1272.553
where: short stacking energy: -536.623
Base-Backbone interact. energy: -2.753
local terms energy: -510.641909
where:
bonds (distance) C4'-P energy: -88.824
bonds (distance) P-C4' energy: -88.917
flat angles C4'-P-C4' energy: -113.458
flat angles P-C4'-P energy: -68.472
tors. eta vs tors. theta energy: -150.971
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: 58
Temperature: 1.000000
Total energy: -1671.433123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.433123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.433123 (E_RNA)
where:
Base-Base interactions energy: -1157.585
where: short stacking energy: -487.748
Base-Backbone interact. energy: -1.541
local terms energy: -512.307672
where:
bonds (distance) C4'-P energy: -94.206
bonds (distance) P-C4' energy: -102.264
flat angles C4'-P-C4' energy: -104.212
flat angles P-C4'-P energy: -77.366
tors. eta vs tors. theta energy: -134.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1616.184120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.184120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.184120 (E_RNA)
where:
Base-Base interactions energy: -1124.106
where: short stacking energy: -488.022
Base-Backbone interact. energy: -0.818
local terms energy: -491.259460
where:
bonds (distance) C4'-P energy: -78.280
bonds (distance) P-C4' energy: -97.293
flat angles C4'-P-C4' energy: -109.354
flat angles P-C4'-P energy: -72.411
tors. eta vs tors. theta energy: -133.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1556.968264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.968264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.968264 (E_RNA)
where:
Base-Base interactions energy: -1098.601
where: short stacking energy: -431.667
Base-Backbone interact. energy: -0.652
local terms energy: -457.715562
where:
bonds (distance) C4'-P energy: -77.028
bonds (distance) P-C4' energy: -96.782
flat angles C4'-P-C4' energy: -105.606
flat angles P-C4'-P energy: -67.899
tors. eta vs tors. theta energy: -110.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1525.697968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.697968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.697968 (E_RNA)
where:
Base-Base interactions energy: -1067.077
where: short stacking energy: -453.513
Base-Backbone interact. energy: -0.858
local terms energy: -457.763238
where:
bonds (distance) C4'-P energy: -76.211
bonds (distance) P-C4' energy: -80.785
flat angles C4'-P-C4' energy: -101.740
flat angles P-C4'-P energy: -69.142
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: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1438.130989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.130989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.130989 (E_RNA)
where:
Base-Base interactions energy: -992.045
where: short stacking energy: -412.120
Base-Backbone interact. energy: -1.332
local terms energy: -444.754020
where:
bonds (distance) C4'-P energy: -81.284
bonds (distance) P-C4' energy: -92.562
flat angles C4'-P-C4' energy: -101.405
flat angles P-C4'-P energy: -68.804
tors. eta vs tors. theta energy: -100.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1163.692450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.692450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.692450 (E_RNA)
where:
Base-Base interactions energy: -775.040
where: short stacking energy: -338.814
Base-Backbone interact. energy: 1.568
local terms energy: -390.220232
where:
bonds (distance) C4'-P energy: -76.520
bonds (distance) P-C4' energy: -73.115
flat angles C4'-P-C4' energy: -82.112
flat angles P-C4'-P energy: -70.133
tors. eta vs tors. theta energy: -88.339
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: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1155.405478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.405478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.405478 (E_RNA)
where:
Base-Base interactions energy: -795.602
where: short stacking energy: -322.921
Base-Backbone interact. energy: 2.115
local terms energy: -361.918949
where:
bonds (distance) C4'-P energy: -82.037
bonds (distance) P-C4' energy: -88.645
flat angles C4'-P-C4' energy: -74.193
flat angles P-C4'-P energy: -51.343
tors. eta vs tors. theta energy: -65.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -725.332139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.332139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.332139 (E_RNA)
where:
Base-Base interactions energy: -427.710
where: short stacking energy: -194.271
Base-Backbone interact. energy: 6.114
local terms energy: -303.736253
where:
bonds (distance) C4'-P energy: -83.510
bonds (distance) P-C4' energy: -85.592
flat angles C4'-P-C4' energy: -63.906
flat angles P-C4'-P energy: -44.871
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: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1835.174908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.174908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.174908 (E_RNA)
where:
Base-Base interactions energy: -1288.775
where: short stacking energy: -555.692
Base-Backbone interact. energy: -0.755
local terms energy: -545.644897
where:
bonds (distance) C4'-P energy: -99.062
bonds (distance) P-C4' energy: -103.182
flat angles C4'-P-C4' energy: -119.395
flat angles P-C4'-P energy: -66.096
tors. eta vs tors. theta energy: -157.909
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: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1777.363043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.363043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.363043 (E_RNA)
where:
Base-Base interactions energy: -1248.512
where: short stacking energy: -501.116
Base-Backbone interact. energy: -1.705
local terms energy: -527.145647
where:
bonds (distance) C4'-P energy: -99.444
bonds (distance) P-C4' energy: -103.625
flat angles C4'-P-C4' energy: -113.797
flat angles P-C4'-P energy: -70.626
tors. eta vs tors. theta energy: -139.652
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: 59
Temperature: 1.000000
Total energy: -1663.659660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.659660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.659660 (E_RNA)
where:
Base-Base interactions energy: -1198.539
where: short stacking energy: -501.693
Base-Backbone interact. energy: -2.821
local terms energy: -462.299402
where:
bonds (distance) C4'-P energy: -72.396
bonds (distance) P-C4' energy: -85.070
flat angles C4'-P-C4' energy: -90.339
flat angles P-C4'-P energy: -74.149
tors. eta vs tors. theta energy: -140.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1615.552279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.552279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.552279 (E_RNA)
where:
Base-Base interactions energy: -1103.333
where: short stacking energy: -460.917
Base-Backbone interact. energy: -1.833
local terms energy: -510.386347
where:
bonds (distance) C4'-P energy: -97.887
bonds (distance) P-C4' energy: -99.315
flat angles C4'-P-C4' energy: -112.366
flat angles P-C4'-P energy: -70.279
tors. eta vs tors. theta energy: -130.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1593.448392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.448392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.448392 (E_RNA)
where:
Base-Base interactions energy: -1140.991
where: short stacking energy: -465.286
Base-Backbone interact. energy: 2.954
local terms energy: -455.411952
where:
bonds (distance) C4'-P energy: -94.515
bonds (distance) P-C4' energy: -92.665
flat angles C4'-P-C4' energy: -106.828
flat angles P-C4'-P energy: -48.625
tors. eta vs tors. theta energy: -112.778
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: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1501.404260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.404260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.404260 (E_RNA)
where:
Base-Base interactions energy: -1056.447
where: short stacking energy: -432.609
Base-Backbone interact. energy: 0.131
local terms energy: -445.088097
where:
bonds (distance) C4'-P energy: -86.885
bonds (distance) P-C4' energy: -88.975
flat angles C4'-P-C4' energy: -94.952
flat angles P-C4'-P energy: -58.041
tors. eta vs tors. theta energy: -116.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1398.210253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.210253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.210253 (E_RNA)
where:
Base-Base interactions energy: -993.697
where: short stacking energy: -404.812
Base-Backbone interact. energy: -2.789
local terms energy: -401.724805
where:
bonds (distance) C4'-P energy: -70.824
bonds (distance) P-C4' energy: -77.137
flat angles C4'-P-C4' energy: -89.455
flat angles P-C4'-P energy: -55.440
tors. eta vs tors. theta energy: -108.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1178.424398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.424398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.424398 (E_RNA)
where:
Base-Base interactions energy: -798.171
where: short stacking energy: -335.974
Base-Backbone interact. energy: -2.249
local terms energy: -378.004212
where:
bonds (distance) C4'-P energy: -81.082
bonds (distance) P-C4' energy: -84.577
flat angles C4'-P-C4' energy: -84.857
flat angles P-C4'-P energy: -51.864
tors. eta vs tors. theta energy: -75.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1122.979070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.979070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.979070 (E_RNA)
where:
Base-Base interactions energy: -784.073
where: short stacking energy: -325.458
Base-Backbone interact. energy: 0.648
local terms energy: -339.554996
where:
bonds (distance) C4'-P energy: -93.985
bonds (distance) P-C4' energy: -72.656
flat angles C4'-P-C4' energy: -72.927
flat angles P-C4'-P energy: -37.343
tors. eta vs tors. theta energy: -62.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -746.613028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.613028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.613028 (E_RNA)
where:
Base-Base interactions energy: -440.929
where: short stacking energy: -200.474
Base-Backbone interact. energy: -0.758
local terms energy: -304.926355
where:
bonds (distance) C4'-P energy: -96.959
bonds (distance) P-C4' energy: -80.105
flat angles C4'-P-C4' energy: -76.444
flat angles P-C4'-P energy: -36.164
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1824.685184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.685184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.685184 (E_RNA)
where:
Base-Base interactions energy: -1303.491
where: short stacking energy: -538.443
Base-Backbone interact. energy: -0.389
local terms energy: -520.805514
where:
bonds (distance) C4'-P energy: -70.822
bonds (distance) P-C4' energy: -103.841
flat angles C4'-P-C4' energy: -110.795
flat angles P-C4'-P energy: -86.186
tors. eta vs tors. theta energy: -149.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1786.196518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.196518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.196518 (E_RNA)
where:
Base-Base interactions energy: -1267.263
where: short stacking energy: -521.912
Base-Backbone interact. energy: 1.524
local terms energy: -520.456768
where:
bonds (distance) C4'-P energy: -87.344
bonds (distance) P-C4' energy: -96.609
flat angles C4'-P-C4' energy: -110.982
flat angles P-C4'-P energy: -72.125
tors. eta vs tors. theta energy: -153.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1651.210539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.210539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.210539 (E_RNA)
where:
Base-Base interactions energy: -1170.892
where: short stacking energy: -477.320
Base-Backbone interact. energy: -2.195
local terms energy: -478.123722
where:
bonds (distance) C4'-P energy: -82.106
bonds (distance) P-C4' energy: -91.536
flat angles C4'-P-C4' energy: -107.026
flat angles P-C4'-P energy: -72.732
tors. eta vs tors. theta energy: -124.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1641.266238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.266238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.266238 (E_RNA)
where:
Base-Base interactions energy: -1154.224
where: short stacking energy: -480.974
Base-Backbone interact. energy: 0.359
local terms energy: -487.400755
where:
bonds (distance) C4'-P energy: -84.238
bonds (distance) P-C4' energy: -89.441
flat angles C4'-P-C4' energy: -103.218
flat angles P-C4'-P energy: -73.669
tors. eta vs tors. theta energy: -136.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1598.919287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.919287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.919287 (E_RNA)
where:
Base-Base interactions energy: -1113.385
where: short stacking energy: -452.148
Base-Backbone interact. energy: 0.381
local terms energy: -485.915641
where:
bonds (distance) C4'-P energy: -90.301
bonds (distance) P-C4' energy: -90.191
flat angles C4'-P-C4' energy: -104.259
flat angles P-C4'-P energy: -72.129
tors. eta vs tors. theta energy: -129.035
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: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1546.470065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.470065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.470065 (E_RNA)
where:
Base-Base interactions energy: -1096.035
where: short stacking energy: -450.880
Base-Backbone interact. energy: -1.980
local terms energy: -448.454347
where:
bonds (distance) C4'-P energy: -87.415
bonds (distance) P-C4' energy: -63.340
flat angles C4'-P-C4' energy: -112.169
flat angles P-C4'-P energy: -62.103
tors. eta vs tors. theta energy: -123.427
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: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1435.024560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.024560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.024560 (E_RNA)
where:
Base-Base interactions energy: -1048.226
where: short stacking energy: -440.242
Base-Backbone interact. energy: 1.519
local terms energy: -388.316995
where:
bonds (distance) C4'-P energy: -66.826
bonds (distance) P-C4' energy: -74.207
flat angles C4'-P-C4' energy: -79.414
flat angles P-C4'-P energy: -45.212
tors. eta vs tors. theta energy: -122.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1119.484426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.484426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.484426 (E_RNA)
where:
Base-Base interactions energy: -743.749
where: short stacking energy: -308.142
Base-Backbone interact. energy: 1.627
local terms energy: -377.361919
where:
bonds (distance) C4'-P energy: -90.078
bonds (distance) P-C4' energy: -82.584
flat angles C4'-P-C4' energy: -84.180
flat angles P-C4'-P energy: -58.388
tors. eta vs tors. theta energy: -62.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1124.789904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.789904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.789904 (E_RNA)
where:
Base-Base interactions energy: -760.404
where: short stacking energy: -336.366
Base-Backbone interact. energy: -1.775
local terms energy: -362.611108
where:
bonds (distance) C4'-P energy: -63.791
bonds (distance) P-C4' energy: -82.426
flat angles C4'-P-C4' energy: -85.705
flat angles P-C4'-P energy: -57.540
tors. eta vs tors. theta energy: -73.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -739.460492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.460492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.460492 (E_RNA)
where:
Base-Base interactions energy: -459.874
where: short stacking energy: -202.191
Base-Backbone interact. energy: 0.808
local terms energy: -280.394212
where:
bonds (distance) C4'-P energy: -85.074
bonds (distance) P-C4' energy: -58.171
flat angles C4'-P-C4' energy: -69.104
flat angles P-C4'-P energy: -41.794
tors. eta vs tors. theta energy: -26.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1785.326876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.326876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.326876 (E_RNA)
where:
Base-Base interactions energy: -1249.584
where: short stacking energy: -511.912
Base-Backbone interact. energy: -0.885
local terms energy: -534.857215
where:
bonds (distance) C4'-P energy: -96.510
bonds (distance) P-C4' energy: -99.794
flat angles C4'-P-C4' energy: -102.995
flat angles P-C4'-P energy: -83.674
tors. eta vs tors. theta energy: -151.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1771.613898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.613898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.613898 (E_RNA)
where:
Base-Base interactions energy: -1245.824
where: short stacking energy: -508.321
Base-Backbone interact. energy: 0.007
local terms energy: -525.796254
where:
bonds (distance) C4'-P energy: -86.601
bonds (distance) P-C4' energy: -87.707
flat angles C4'-P-C4' energy: -121.172
flat angles P-C4'-P energy: -75.162
tors. eta vs tors. theta energy: -155.155
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: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1677.839450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.839450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.839450 (E_RNA)
where:
Base-Base interactions energy: -1168.212
where: short stacking energy: -480.881
Base-Backbone interact. energy: -1.551
local terms energy: -508.075728
where:
bonds (distance) C4'-P energy: -94.058
bonds (distance) P-C4' energy: -97.981
flat angles C4'-P-C4' energy: -108.408
flat angles P-C4'-P energy: -73.875
tors. eta vs tors. theta energy: -133.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1650.537389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.537389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.537389 (E_RNA)
where:
Base-Base interactions energy: -1133.429
where: short stacking energy: -487.525
Base-Backbone interact. energy: 0.044
local terms energy: -517.152475
where:
bonds (distance) C4'-P energy: -98.411
bonds (distance) P-C4' energy: -91.884
flat angles C4'-P-C4' energy: -100.932
flat angles P-C4'-P energy: -76.176
tors. eta vs tors. theta energy: -149.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1605.518054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.518054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.518054 (E_RNA)
where:
Base-Base interactions energy: -1109.501
where: short stacking energy: -463.743
Base-Backbone interact. energy: -1.218
local terms energy: -494.798574
where:
bonds (distance) C4'-P energy: -91.775
bonds (distance) P-C4' energy: -89.485
flat angles C4'-P-C4' energy: -101.822
flat angles P-C4'-P energy: -73.400
tors. eta vs tors. theta energy: -138.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1597.931822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.931822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.931822 (E_RNA)
where:
Base-Base interactions energy: -1130.130
where: short stacking energy: -475.186
Base-Backbone interact. energy: -0.729
local terms energy: -467.072342
where:
bonds (distance) C4'-P energy: -87.900
bonds (distance) P-C4' energy: -74.508
flat angles C4'-P-C4' energy: -99.185
flat angles P-C4'-P energy: -64.528
tors. eta vs tors. theta energy: -140.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1414.597379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.597379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.597379 (E_RNA)
where:
Base-Base interactions energy: -990.903
where: short stacking energy: -405.553
Base-Backbone interact. energy: -1.270
local terms energy: -422.425075
where:
bonds (distance) C4'-P energy: -71.472
bonds (distance) P-C4' energy: -91.865
flat angles C4'-P-C4' energy: -89.465
flat angles P-C4'-P energy: -60.646
tors. eta vs tors. theta energy: -108.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1211.924134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.924134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.924134 (E_RNA)
where:
Base-Base interactions energy: -833.757
where: short stacking energy: -353.494
Base-Backbone interact. energy: -1.614
local terms energy: -376.552955
where:
bonds (distance) C4'-P energy: -66.108
bonds (distance) P-C4' energy: -76.736
flat angles C4'-P-C4' energy: -100.023
flat angles P-C4'-P energy: -54.365
tors. eta vs tors. theta energy: -79.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1119.712664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.712664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.712664 (E_RNA)
where:
Base-Base interactions energy: -755.101
where: short stacking energy: -317.130
Base-Backbone interact. energy: 1.406
local terms energy: -366.016934
where:
bonds (distance) C4'-P energy: -80.292
bonds (distance) P-C4' energy: -86.571
flat angles C4'-P-C4' energy: -78.897
flat angles P-C4'-P energy: -43.303
tors. eta vs tors. theta energy: -76.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -707.381399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.381399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.381399 (E_RNA)
where:
Base-Base interactions energy: -423.325
where: short stacking energy: -191.616
Base-Backbone interact. energy: -1.841
local terms energy: -282.214832
where:
bonds (distance) C4'-P energy: -81.252
bonds (distance) P-C4' energy: -81.834
flat angles C4'-P-C4' energy: -71.547
flat angles P-C4'-P energy: -25.535
tors. eta vs tors. theta energy: -22.046
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: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1815.889357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.889357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.889357 (E_RNA)
where:
Base-Base interactions energy: -1275.837
where: short stacking energy: -542.512
Base-Backbone interact. energy: -2.040
local terms energy: -538.012970
where:
bonds (distance) C4'-P energy: -98.826
bonds (distance) P-C4' energy: -97.334
flat angles C4'-P-C4' energy: -106.684
flat angles P-C4'-P energy: -75.606
tors. eta vs tors. theta energy: -159.563
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: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1772.040816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.040816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.040816 (E_RNA)
where:
Base-Base interactions energy: -1267.363
where: short stacking energy: -495.946
Base-Backbone interact. energy: -1.883
local terms energy: -502.795264
where:
bonds (distance) C4'-P energy: -87.777
bonds (distance) P-C4' energy: -94.897
flat angles C4'-P-C4' energy: -106.426
flat angles P-C4'-P energy: -62.339
tors. eta vs tors. theta energy: -151.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1701.441024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.441024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.441024 (E_RNA)
where:
Base-Base interactions energy: -1197.896
where: short stacking energy: -504.275
Base-Backbone interact. energy: 5.539
local terms energy: -509.083735
where:
bonds (distance) C4'-P energy: -89.174
bonds (distance) P-C4' energy: -90.808
flat angles C4'-P-C4' energy: -106.209
flat angles P-C4'-P energy: -77.752
tors. eta vs tors. theta energy: -145.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1604.227080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.227080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.227080 (E_RNA)
where:
Base-Base interactions energy: -1143.506
where: short stacking energy: -500.411
Base-Backbone interact. energy: 0.677
local terms energy: -461.397604
where:
bonds (distance) C4'-P energy: -86.262
bonds (distance) P-C4' energy: -71.408
flat angles C4'-P-C4' energy: -101.114
flat angles P-C4'-P energy: -63.239
tors. eta vs tors. theta energy: -139.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1636.372287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.372287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.372287 (E_RNA)
where:
Base-Base interactions energy: -1165.086
where: short stacking energy: -468.658
Base-Backbone interact. energy: -2.409
local terms energy: -468.877089
where:
bonds (distance) C4'-P energy: -79.682
bonds (distance) P-C4' energy: -85.716
flat angles C4'-P-C4' energy: -100.060
flat angles P-C4'-P energy: -74.462
tors. eta vs tors. theta energy: -128.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1584.701205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.701205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.701205 (E_RNA)
where:
Base-Base interactions energy: -1103.779
where: short stacking energy: -458.660
Base-Backbone interact. energy: -0.270
local terms energy: -480.652075
where:
bonds (distance) C4'-P energy: -85.056
bonds (distance) P-C4' energy: -83.243
flat angles C4'-P-C4' energy: -101.868
flat angles P-C4'-P energy: -71.168
tors. eta vs tors. theta energy: -139.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1405.416306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.416306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.416306 (E_RNA)
where:
Base-Base interactions energy: -978.767
where: short stacking energy: -390.584
Base-Backbone interact. energy: -1.305
local terms energy: -425.344168
where:
bonds (distance) C4'-P energy: -88.956
bonds (distance) P-C4' energy: -71.310
flat angles C4'-P-C4' energy: -98.796
flat angles P-C4'-P energy: -69.855
tors. eta vs tors. theta energy: -96.428
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: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1198.733729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.733729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.733729 (E_RNA)
where:
Base-Base interactions energy: -818.121
where: short stacking energy: -331.541
Base-Backbone interact. energy: -0.237
local terms energy: -380.376138
where:
bonds (distance) C4'-P energy: -80.288
bonds (distance) P-C4' energy: -75.156
flat angles C4'-P-C4' energy: -96.048
flat angles P-C4'-P energy: -44.920
tors. eta vs tors. theta energy: -83.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1089.569620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.569620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.569620 (E_RNA)
where:
Base-Base interactions energy: -741.173
where: short stacking energy: -320.880
Base-Backbone interact. energy: 0.693
local terms energy: -349.090028
where:
bonds (distance) C4'-P energy: -68.073
bonds (distance) P-C4' energy: -72.484
flat angles C4'-P-C4' energy: -73.834
flat angles P-C4'-P energy: -61.532
tors. eta vs tors. theta energy: -73.166
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: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -731.556991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.556991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.556991 (E_RNA)
where:
Base-Base interactions energy: -429.110
where: short stacking energy: -223.601
Base-Backbone interact. energy: -0.754
local terms energy: -301.693394
where:
bonds (distance) C4'-P energy: -64.098
bonds (distance) P-C4' energy: -77.758
flat angles C4'-P-C4' energy: -86.334
flat angles P-C4'-P energy: -50.127
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1831.766322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.766322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.766322 (E_RNA)
where:
Base-Base interactions energy: -1288.661
where: short stacking energy: -539.024
Base-Backbone interact. energy: -0.898
local terms energy: -542.207000
where:
bonds (distance) C4'-P energy: -97.458
bonds (distance) P-C4' energy: -100.319
flat angles C4'-P-C4' energy: -121.275
flat angles P-C4'-P energy: -67.366
tors. eta vs tors. theta energy: -155.789
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: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1776.344025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.344025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.344025 (E_RNA)
where:
Base-Base interactions energy: -1232.608
where: short stacking energy: -506.373
Base-Backbone interact. energy: -1.766
local terms energy: -541.970118
where:
bonds (distance) C4'-P energy: -99.853
bonds (distance) P-C4' energy: -103.022
flat angles C4'-P-C4' energy: -116.113
flat angles P-C4'-P energy: -71.229
tors. eta vs tors. theta energy: -151.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1685.129341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.129341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.129341 (E_RNA)
where:
Base-Base interactions energy: -1186.028
where: short stacking energy: -500.345
Base-Backbone interact. energy: -2.099
local terms energy: -497.002607
where:
bonds (distance) C4'-P energy: -92.577
bonds (distance) P-C4' energy: -81.959
flat angles C4'-P-C4' energy: -101.430
flat angles P-C4'-P energy: -80.116
tors. eta vs tors. theta energy: -140.921
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: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1636.324340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.324340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.324340 (E_RNA)
where:
Base-Base interactions energy: -1116.754
where: short stacking energy: -467.540
Base-Backbone interact. energy: -0.817
local terms energy: -518.753348
where:
bonds (distance) C4'-P energy: -107.731
bonds (distance) P-C4' energy: -89.504
flat angles C4'-P-C4' energy: -113.130
flat angles P-C4'-P energy: -72.745
tors. eta vs tors. theta energy: -135.644
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: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1639.251642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.251642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.251642 (E_RNA)
where:
Base-Base interactions energy: -1177.246
where: short stacking energy: -500.535
Base-Backbone interact. energy: -1.553
local terms energy: -460.453530
where:
bonds (distance) C4'-P energy: -82.573
bonds (distance) P-C4' energy: -82.141
flat angles C4'-P-C4' energy: -103.562
flat angles P-C4'-P energy: -58.264
tors. eta vs tors. theta energy: -133.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1607.160453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.160453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.160453 (E_RNA)
where:
Base-Base interactions energy: -1133.008
where: short stacking energy: -470.875
Base-Backbone interact. energy: -0.011
local terms energy: -474.140993
where:
bonds (distance) C4'-P energy: -76.073
bonds (distance) P-C4' energy: -88.724
flat angles C4'-P-C4' energy: -103.700
flat angles P-C4'-P energy: -65.385
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: 7, replica: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1378.373316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.373316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.373316 (E_RNA)
where:
Base-Base interactions energy: -957.857
where: short stacking energy: -384.387
Base-Backbone interact. energy: -2.562
local terms energy: -417.954455
where:
bonds (distance) C4'-P energy: -78.457
bonds (distance) P-C4' energy: -78.775
flat angles C4'-P-C4' energy: -97.630
flat angles P-C4'-P energy: -63.951
tors. eta vs tors. theta energy: -99.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1238.906136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.906136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.906136 (E_RNA)
where:
Base-Base interactions energy: -845.235
where: short stacking energy: -364.086
Base-Backbone interact. energy: 2.813
local terms energy: -396.484572
where:
bonds (distance) C4'-P energy: -82.263
bonds (distance) P-C4' energy: -85.769
flat angles C4'-P-C4' energy: -84.537
flat angles P-C4'-P energy: -58.769
tors. eta vs tors. theta energy: -85.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1058.479497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.479497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.479497 (E_RNA)
where:
Base-Base interactions energy: -722.767
where: short stacking energy: -277.922
Base-Backbone interact. energy: 2.292
local terms energy: -338.004731
where:
bonds (distance) C4'-P energy: -76.095
bonds (distance) P-C4' energy: -84.470
flat angles C4'-P-C4' energy: -82.401
flat angles P-C4'-P energy: -43.845
tors. eta vs tors. theta energy: -51.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -744.857243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.857243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.857243 (E_RNA)
where:
Base-Base interactions energy: -421.523
where: short stacking energy: -209.176
Base-Backbone interact. energy: 0.789
local terms energy: -324.122558
where:
bonds (distance) C4'-P energy: -100.331
bonds (distance) P-C4' energy: -80.979
flat angles C4'-P-C4' energy: -72.179
flat angles P-C4'-P energy: -47.435
tors. eta vs tors. theta energy: -23.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1830.405190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.405190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.405190 (E_RNA)
where:
Base-Base interactions energy: -1270.533
where: short stacking energy: -553.716
Base-Backbone interact. energy: 0.458
local terms energy: -560.330125
where:
bonds (distance) C4'-P energy: -96.284
bonds (distance) P-C4' energy: -100.971
flat angles C4'-P-C4' energy: -124.350
flat angles P-C4'-P energy: -77.149
tors. eta vs tors. theta energy: -161.576
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: 64
Temperature: 0.950000
Total energy: -1758.682737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.682737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.682737 (E_RNA)
where:
Base-Base interactions energy: -1264.642
where: short stacking energy: -524.163
Base-Backbone interact. energy: 2.817
local terms energy: -496.857971
where:
bonds (distance) C4'-P energy: -80.412
bonds (distance) P-C4' energy: -86.048
flat angles C4'-P-C4' energy: -103.994
flat angles P-C4'-P energy: -73.080
tors. eta vs tors. theta energy: -153.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1672.324529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.324529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.324529 (E_RNA)
where:
Base-Base interactions energy: -1179.317
where: short stacking energy: -495.826
Base-Backbone interact. energy: -1.165
local terms energy: -491.843209
where:
bonds (distance) C4'-P energy: -81.768
bonds (distance) P-C4' energy: -98.867
flat angles C4'-P-C4' energy: -102.591
flat angles P-C4'-P energy: -72.698
tors. eta vs tors. theta energy: -135.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1606.613730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.613730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.613730 (E_RNA)
where:
Base-Base interactions energy: -1114.663
where: short stacking energy: -486.452
Base-Backbone interact. energy: -0.257
local terms energy: -491.693994
where:
bonds (distance) C4'-P energy: -86.622
bonds (distance) P-C4' energy: -102.472
flat angles C4'-P-C4' energy: -104.485
flat angles P-C4'-P energy: -61.684
tors. eta vs tors. theta energy: -136.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1619.081709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.081709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.081709 (E_RNA)
where:
Base-Base interactions energy: -1143.332
where: short stacking energy: -481.039
Base-Backbone interact. energy: -1.135
local terms energy: -474.614813
where:
bonds (distance) C4'-P energy: -85.965
bonds (distance) P-C4' energy: -82.402
flat angles C4'-P-C4' energy: -98.194
flat angles P-C4'-P energy: -74.391
tors. eta vs tors. theta energy: -133.663
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: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1578.594925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.594925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.594925 (E_RNA)
where:
Base-Base interactions energy: -1120.494
where: short stacking energy: -443.963
Base-Backbone interact. energy: -1.771
local terms energy: -456.329847
where:
bonds (distance) C4'-P energy: -91.817
bonds (distance) P-C4' energy: -88.619
flat angles C4'-P-C4' energy: -98.056
flat angles P-C4'-P energy: -57.412
tors. eta vs tors. theta energy: -120.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1427.297288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.297288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.297288 (E_RNA)
where:
Base-Base interactions energy: -965.433
where: short stacking energy: -382.955
Base-Backbone interact. energy: -0.385
local terms energy: -461.479330
where:
bonds (distance) C4'-P energy: -89.920
bonds (distance) P-C4' energy: -101.766
flat angles C4'-P-C4' energy: -93.879
flat angles P-C4'-P energy: -57.239
tors. eta vs tors. theta energy: -118.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1276.941080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.941080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.941080 (E_RNA)
where:
Base-Base interactions energy: -862.638
where: short stacking energy: -370.655
Base-Backbone interact. energy: 1.077
local terms energy: -415.380557
where:
bonds (distance) C4'-P energy: -87.404
bonds (distance) P-C4' energy: -80.306
flat angles C4'-P-C4' energy: -88.046
flat angles P-C4'-P energy: -66.159
tors. eta vs tors. theta energy: -93.465
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: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1160.102700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.102700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.102700 (E_RNA)
where:
Base-Base interactions energy: -770.158
where: short stacking energy: -348.598
Base-Backbone interact. energy: -2.181
local terms energy: -387.763476
where:
bonds (distance) C4'-P energy: -71.006
bonds (distance) P-C4' energy: -88.922
flat angles C4'-P-C4' energy: -97.315
flat angles P-C4'-P energy: -44.509
tors. eta vs tors. theta energy: -86.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -790.085126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.085126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.085126 (E_RNA)
where:
Base-Base interactions energy: -482.954
where: short stacking energy: -217.606
Base-Backbone interact. energy: -1.689
local terms energy: -305.442224
where:
bonds (distance) C4'-P energy: -67.118
bonds (distance) P-C4' energy: -83.024
flat angles C4'-P-C4' energy: -77.444
flat angles P-C4'-P energy: -51.129
tors. eta vs tors. theta energy: -26.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1834.762328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.762328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.762328 (E_RNA)
where:
Base-Base interactions energy: -1291.675
where: short stacking energy: -564.553
Base-Backbone interact. energy: -0.179
local terms energy: -542.908255
where:
bonds (distance) C4'-P energy: -101.599
bonds (distance) P-C4' energy: -86.025
flat angles C4'-P-C4' energy: -110.311
flat angles P-C4'-P energy: -82.136
tors. eta vs tors. theta energy: -162.837
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: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1802.589282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.589282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.589282 (E_RNA)
where:
Base-Base interactions energy: -1274.547
where: short stacking energy: -511.573
Base-Backbone interact. energy: 0.252
local terms energy: -528.294988
where:
bonds (distance) C4'-P energy: -90.183
bonds (distance) P-C4' energy: -95.961
flat angles C4'-P-C4' energy: -110.236
flat angles P-C4'-P energy: -73.145
tors. eta vs tors. theta energy: -158.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1688.826423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.826423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.826423 (E_RNA)
where:
Base-Base interactions energy: -1202.778
where: short stacking energy: -495.209
Base-Backbone interact. energy: -4.318
local terms energy: -481.730370
where:
bonds (distance) C4'-P energy: -83.145
bonds (distance) P-C4' energy: -97.575
flat angles C4'-P-C4' energy: -91.945
flat angles P-C4'-P energy: -72.872
tors. eta vs tors. theta energy: -136.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1636.050936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.050936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.050936 (E_RNA)
where:
Base-Base interactions energy: -1159.962
where: short stacking energy: -461.151
Base-Backbone interact. energy: 0.041
local terms energy: -476.129720
where:
bonds (distance) C4'-P energy: -83.447
bonds (distance) P-C4' energy: -96.342
flat angles C4'-P-C4' energy: -104.378
flat angles P-C4'-P energy: -61.934
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: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1536.713238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.713238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.713238 (E_RNA)
where:
Base-Base interactions energy: -1076.255
where: short stacking energy: -454.679
Base-Backbone interact. energy: -0.162
local terms energy: -460.296728
where:
bonds (distance) C4'-P energy: -81.249
bonds (distance) P-C4' energy: -82.983
flat angles C4'-P-C4' energy: -100.721
flat angles P-C4'-P energy: -67.614
tors. eta vs tors. theta energy: -127.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1530.261423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.261423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.261423 (E_RNA)
where:
Base-Base interactions energy: -1066.606
where: short stacking energy: -448.533
Base-Backbone interact. energy: 0.260
local terms energy: -463.915190
where:
bonds (distance) C4'-P energy: -84.743
bonds (distance) P-C4' energy: -96.804
flat angles C4'-P-C4' energy: -93.314
flat angles P-C4'-P energy: -58.342
tors. eta vs tors. theta energy: -130.712
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: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1398.723690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.723690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.723690 (E_RNA)
where:
Base-Base interactions energy: -978.422
where: short stacking energy: -396.488
Base-Backbone interact. energy: -2.145
local terms energy: -418.157377
where:
bonds (distance) C4'-P energy: -87.911
bonds (distance) P-C4' energy: -72.476
flat angles C4'-P-C4' energy: -94.901
flat angles P-C4'-P energy: -59.453
tors. eta vs tors. theta energy: -103.416
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: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1234.859864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.859864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.859864 (E_RNA)
where:
Base-Base interactions energy: -837.317
where: short stacking energy: -359.497
Base-Backbone interact. energy: -0.838
local terms energy: -396.705238
where:
bonds (distance) C4'-P energy: -69.197
bonds (distance) P-C4' energy: -95.533
flat angles C4'-P-C4' energy: -97.410
flat angles P-C4'-P energy: -57.271
tors. eta vs tors. theta energy: -77.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1170.293476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.293476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.293476 (E_RNA)
where:
Base-Base interactions energy: -779.981
where: short stacking energy: -330.829
Base-Backbone interact. energy: -2.692
local terms energy: -387.620762
where:
bonds (distance) C4'-P energy: -83.585
bonds (distance) P-C4' energy: -72.989
flat angles C4'-P-C4' energy: -102.224
flat angles P-C4'-P energy: -65.640
tors. eta vs tors. theta energy: -63.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -756.244052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.244052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.244052 (E_RNA)
where:
Base-Base interactions energy: -474.700
where: short stacking energy: -226.914
Base-Backbone interact. energy: -1.854
local terms energy: -279.690171
where:
bonds (distance) C4'-P energy: -65.448
bonds (distance) P-C4' energy: -76.773
flat angles C4'-P-C4' energy: -75.584
flat angles P-C4'-P energy: -42.576
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1856.025861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.025861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.025861 (E_RNA)
where:
Base-Base interactions energy: -1294.044
where: short stacking energy: -570.427
Base-Backbone interact. energy: -0.519
local terms energy: -561.462824
where:
bonds (distance) C4'-P energy: -98.801
bonds (distance) P-C4' energy: -101.135
flat angles C4'-P-C4' energy: -123.060
flat angles P-C4'-P energy: -74.417
tors. eta vs tors. theta energy: -164.050
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: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1766.119136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.119136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.119136 (E_RNA)
where:
Base-Base interactions energy: -1254.171
where: short stacking energy: -510.716
Base-Backbone interact. energy: 0.484
local terms energy: -512.431448
where:
bonds (distance) C4'-P energy: -74.283
bonds (distance) P-C4' energy: -104.076
flat angles C4'-P-C4' energy: -108.033
flat angles P-C4'-P energy: -73.778
tors. eta vs tors. theta energy: -152.261
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: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1712.667469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.667469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.667469 (E_RNA)
where:
Base-Base interactions energy: -1213.778
where: short stacking energy: -513.892
Base-Backbone interact. energy: -2.368
local terms energy: -496.520864
where:
bonds (distance) C4'-P energy: -87.131
bonds (distance) P-C4' energy: -99.922
flat angles C4'-P-C4' energy: -106.220
flat angles P-C4'-P energy: -63.105
tors. eta vs tors. theta energy: -140.143
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: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1611.991459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.991459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.991459 (E_RNA)
where:
Base-Base interactions energy: -1150.530
where: short stacking energy: -461.935
Base-Backbone interact. energy: 2.175
local terms energy: -463.636394
where:
bonds (distance) C4'-P energy: -66.492
bonds (distance) P-C4' energy: -91.095
flat angles C4'-P-C4' energy: -102.310
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -129.831
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: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1566.759513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.759513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.759513 (E_RNA)
where:
Base-Base interactions energy: -1078.369
where: short stacking energy: -484.545
Base-Backbone interact. energy: -0.665
local terms energy: -487.725179
where:
bonds (distance) C4'-P energy: -99.106
bonds (distance) P-C4' energy: -83.422
flat angles C4'-P-C4' energy: -98.449
flat angles P-C4'-P energy: -71.181
tors. eta vs tors. theta energy: -135.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1570.855932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.855932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.855932 (E_RNA)
where:
Base-Base interactions energy: -1120.821
where: short stacking energy: -469.288
Base-Backbone interact. energy: -0.150
local terms energy: -449.885115
where:
bonds (distance) C4'-P energy: -71.137
bonds (distance) P-C4' energy: -81.400
flat angles C4'-P-C4' energy: -104.882
flat angles P-C4'-P energy: -65.601
tors. eta vs tors. theta energy: -126.865
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: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1402.032852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.032852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.032852 (E_RNA)
where:
Base-Base interactions energy: -965.191
where: short stacking energy: -408.927
Base-Backbone interact. energy: -0.121
local terms energy: -436.721137
where:
bonds (distance) C4'-P energy: -83.560
bonds (distance) P-C4' energy: -89.412
flat angles C4'-P-C4' energy: -93.777
flat angles P-C4'-P energy: -66.560
tors. eta vs tors. theta energy: -103.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1248.737637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.737637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.737637 (E_RNA)
where:
Base-Base interactions energy: -844.958
where: short stacking energy: -364.149
Base-Backbone interact. energy: 5.363
local terms energy: -409.143175
where:
bonds (distance) C4'-P energy: -80.548
bonds (distance) P-C4' energy: -83.229
flat angles C4'-P-C4' energy: -90.619
flat angles P-C4'-P energy: -61.912
tors. eta vs tors. theta energy: -92.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1164.081978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.081978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.081978 (E_RNA)
where:
Base-Base interactions energy: -794.314
where: short stacking energy: -336.419
Base-Backbone interact. energy: -2.707
local terms energy: -367.061049
where:
bonds (distance) C4'-P energy: -80.073
bonds (distance) P-C4' energy: -67.348
flat angles C4'-P-C4' energy: -86.197
flat angles P-C4'-P energy: -54.293
tors. eta vs tors. theta energy: -79.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -768.097600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.097600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.097600 (E_RNA)
where:
Base-Base interactions energy: -474.533
where: short stacking energy: -217.044
Base-Backbone interact. energy: 1.100
local terms energy: -294.664956
where:
bonds (distance) C4'-P energy: -67.855
bonds (distance) P-C4' energy: -79.098
flat angles C4'-P-C4' energy: -76.070
flat angles P-C4'-P energy: -48.847
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1841.101836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.101836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.101836 (E_RNA)
where:
Base-Base interactions energy: -1296.573
where: short stacking energy: -552.550
Base-Backbone interact. energy: -1.364
local terms energy: -543.164414
where:
bonds (distance) C4'-P energy: -88.021
bonds (distance) P-C4' energy: -102.425
flat angles C4'-P-C4' energy: -114.800
flat angles P-C4'-P energy: -81.120
tors. eta vs tors. theta energy: -156.798
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: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1800.840719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.840719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.840719 (E_RNA)
where:
Base-Base interactions energy: -1262.558
where: short stacking energy: -546.516
Base-Backbone interact. energy: -1.334
local terms energy: -536.948599
where:
bonds (distance) C4'-P energy: -98.844
bonds (distance) P-C4' energy: -95.707
flat angles C4'-P-C4' energy: -109.516
flat angles P-C4'-P energy: -72.147
tors. eta vs tors. theta energy: -160.735
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: 67
Temperature: 1.000000
Total energy: -1697.249454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.249454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.249454 (E_RNA)
where:
Base-Base interactions energy: -1214.372
where: short stacking energy: -500.112
Base-Backbone interact. energy: -1.402
local terms energy: -481.475428
where:
bonds (distance) C4'-P energy: -93.749
bonds (distance) P-C4' energy: -81.789
flat angles C4'-P-C4' energy: -94.343
flat angles P-C4'-P energy: -78.987
tors. eta vs tors. theta energy: -132.608
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: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1653.987878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.987878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.987878 (E_RNA)
where:
Base-Base interactions energy: -1171.174
where: short stacking energy: -464.817
Base-Backbone interact. energy: -2.673
local terms energy: -480.140528
where:
bonds (distance) C4'-P energy: -90.125
bonds (distance) P-C4' energy: -89.578
flat angles C4'-P-C4' energy: -104.851
flat angles P-C4'-P energy: -72.606
tors. eta vs tors. theta energy: -122.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1529.685769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.685769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.685769 (E_RNA)
where:
Base-Base interactions energy: -1043.909
where: short stacking energy: -436.394
Base-Backbone interact. energy: -2.051
local terms energy: -483.726371
where:
bonds (distance) C4'-P energy: -99.473
bonds (distance) P-C4' energy: -92.853
flat angles C4'-P-C4' energy: -96.340
flat angles P-C4'-P energy: -66.411
tors. eta vs tors. theta energy: -128.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1564.719195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.719195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.719195 (E_RNA)
where:
Base-Base interactions energy: -1104.458
where: short stacking energy: -452.990
Base-Backbone interact. energy: 0.480
local terms energy: -460.741681
where:
bonds (distance) C4'-P energy: -78.695
bonds (distance) P-C4' energy: -82.815
flat angles C4'-P-C4' energy: -102.974
flat angles P-C4'-P energy: -74.834
tors. eta vs tors. theta energy: -121.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1370.754566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.754566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.754566 (E_RNA)
where:
Base-Base interactions energy: -946.710
where: short stacking energy: -387.979
Base-Backbone interact. energy: -3.001
local terms energy: -421.043046
where:
bonds (distance) C4'-P energy: -86.752
bonds (distance) P-C4' energy: -74.272
flat angles C4'-P-C4' energy: -95.663
flat angles P-C4'-P energy: -65.639
tors. eta vs tors. theta energy: -98.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1257.730848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.730848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.730848 (E_RNA)
where:
Base-Base interactions energy: -855.975
where: short stacking energy: -353.857
Base-Backbone interact. energy: -3.755
local terms energy: -398.000236
where:
bonds (distance) C4'-P energy: -68.292
bonds (distance) P-C4' energy: -85.877
flat angles C4'-P-C4' energy: -94.949
flat angles P-C4'-P energy: -62.418
tors. eta vs tors. theta energy: -86.465
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: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1182.695049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.695049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.695049 (E_RNA)
where:
Base-Base interactions energy: -842.228
where: short stacking energy: -334.981
Base-Backbone interact. energy: 0.023
local terms energy: -340.490286
where:
bonds (distance) C4'-P energy: -64.034
bonds (distance) P-C4' energy: -78.487
flat angles C4'-P-C4' energy: -76.163
flat angles P-C4'-P energy: -48.541
tors. eta vs tors. theta energy: -73.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -724.591249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.591249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.591249 (E_RNA)
where:
Base-Base interactions energy: -439.751
where: short stacking energy: -204.497
Base-Backbone interact. energy: 2.751
local terms energy: -287.591658
where:
bonds (distance) C4'-P energy: -79.955
bonds (distance) P-C4' energy: -71.341
flat angles C4'-P-C4' energy: -70.862
flat angles P-C4'-P energy: -47.185
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1842.135124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.135124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.135124 (E_RNA)
where:
Base-Base interactions energy: -1291.179
where: short stacking energy: -554.641
Base-Backbone interact. energy: 1.570
local terms energy: -552.526036
where:
bonds (distance) C4'-P energy: -102.644
bonds (distance) P-C4' energy: -108.763
flat angles C4'-P-C4' energy: -105.310
flat angles P-C4'-P energy: -77.548
tors. eta vs tors. theta energy: -158.261
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: 68
Temperature: 0.950000
Total energy: -1760.822881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.822881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.822881 (E_RNA)
where:
Base-Base interactions energy: -1242.538
where: short stacking energy: -532.722
Base-Backbone interact. energy: -0.454
local terms energy: -517.830170
where:
bonds (distance) C4'-P energy: -97.714
bonds (distance) P-C4' energy: -83.990
flat angles C4'-P-C4' energy: -107.986
flat angles P-C4'-P energy: -71.063
tors. eta vs tors. theta energy: -157.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1707.498236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.498236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.498236 (E_RNA)
where:
Base-Base interactions energy: -1189.552
where: short stacking energy: -502.653
Base-Backbone interact. energy: 3.362
local terms energy: -521.308108
where:
bonds (distance) C4'-P energy: -93.425
bonds (distance) P-C4' energy: -94.696
flat angles C4'-P-C4' energy: -111.001
flat angles P-C4'-P energy: -82.046
tors. eta vs tors. theta energy: -140.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1677.138118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.138118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.138118 (E_RNA)
where:
Base-Base interactions energy: -1178.736
where: short stacking energy: -494.539
Base-Backbone interact. energy: -0.888
local terms energy: -497.513717
where:
bonds (distance) C4'-P energy: -91.953
bonds (distance) P-C4' energy: -88.089
flat angles C4'-P-C4' energy: -106.334
flat angles P-C4'-P energy: -71.179
tors. eta vs tors. theta energy: -139.958
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: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1610.431343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.431343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.431343 (E_RNA)
where:
Base-Base interactions energy: -1129.558
where: short stacking energy: -475.334
Base-Backbone interact. energy: 1.574
local terms energy: -482.447309
where:
bonds (distance) C4'-P energy: -79.901
bonds (distance) P-C4' energy: -94.338
flat angles C4'-P-C4' energy: -110.977
flat angles P-C4'-P energy: -65.592
tors. eta vs tors. theta energy: -131.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1503.808196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.808196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.808196 (E_RNA)
where:
Base-Base interactions energy: -1066.562
where: short stacking energy: -454.400
Base-Backbone interact. energy: 1.823
local terms energy: -439.069772
where:
bonds (distance) C4'-P energy: -69.683
bonds (distance) P-C4' energy: -87.536
flat angles C4'-P-C4' energy: -100.307
flat angles P-C4'-P energy: -47.944
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: 7, replica: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1369.004425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.004425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.004425 (E_RNA)
where:
Base-Base interactions energy: -962.504
where: short stacking energy: -381.907
Base-Backbone interact. energy: 2.052
local terms energy: -408.551776
where:
bonds (distance) C4'-P energy: -69.507
bonds (distance) P-C4' energy: -91.303
flat angles C4'-P-C4' energy: -90.413
flat angles P-C4'-P energy: -61.213
tors. eta vs tors. theta energy: -96.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1246.772360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.772360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.772360 (E_RNA)
where:
Base-Base interactions energy: -863.163
where: short stacking energy: -356.436
Base-Backbone interact. energy: -3.141
local terms energy: -380.468431
where:
bonds (distance) C4'-P energy: -79.314
bonds (distance) P-C4' energy: -73.013
flat angles C4'-P-C4' energy: -90.832
flat angles P-C4'-P energy: -52.020
tors. eta vs tors. theta energy: -85.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1225.160518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.160518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.160518 (E_RNA)
where:
Base-Base interactions energy: -865.059
where: short stacking energy: -336.206
Base-Backbone interact. energy: -0.644
local terms energy: -359.457431
where:
bonds (distance) C4'-P energy: -68.189
bonds (distance) P-C4' energy: -74.534
flat angles C4'-P-C4' energy: -94.783
flat angles P-C4'-P energy: -46.016
tors. eta vs tors. theta energy: -75.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -719.967858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.967858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.967858 (E_RNA)
where:
Base-Base interactions energy: -446.745
where: short stacking energy: -216.757
Base-Backbone interact. energy: 4.549
local terms energy: -277.771013
where:
bonds (distance) C4'-P energy: -67.168
bonds (distance) P-C4' energy: -85.953
flat angles C4'-P-C4' energy: -70.920
flat angles P-C4'-P energy: -32.462
tors. eta vs tors. theta energy: -21.268
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: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1856.731362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.731362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.731362 (E_RNA)
where:
Base-Base interactions energy: -1307.168
where: short stacking energy: -555.747
Base-Backbone interact. energy: -3.382
local terms energy: -546.181575
where:
bonds (distance) C4'-P energy: -95.120
bonds (distance) P-C4' energy: -102.142
flat angles C4'-P-C4' energy: -115.453
flat angles P-C4'-P energy: -74.068
tors. eta vs tors. theta energy: -159.398
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: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1791.498382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.498382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.498382 (E_RNA)
where:
Base-Base interactions energy: -1266.563
where: short stacking energy: -525.160
Base-Backbone interact. energy: -1.225
local terms energy: -523.710633
where:
bonds (distance) C4'-P energy: -89.852
bonds (distance) P-C4' energy: -96.339
flat angles C4'-P-C4' energy: -107.836
flat angles P-C4'-P energy: -73.228
tors. eta vs tors. theta energy: -156.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1687.567377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.567377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.567377 (E_RNA)
where:
Base-Base interactions energy: -1180.653
where: short stacking energy: -500.883
Base-Backbone interact. energy: -1.213
local terms energy: -505.701888
where:
bonds (distance) C4'-P energy: -91.117
bonds (distance) P-C4' energy: -96.799
flat angles C4'-P-C4' energy: -105.244
flat angles P-C4'-P energy: -75.552
tors. eta vs tors. theta energy: -136.990
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: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1660.408930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.408930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.408930 (E_RNA)
where:
Base-Base interactions energy: -1165.121
where: short stacking energy: -479.441
Base-Backbone interact. energy: 0.532
local terms energy: -495.820026
where:
bonds (distance) C4'-P energy: -90.154
bonds (distance) P-C4' energy: -102.232
flat angles C4'-P-C4' energy: -104.791
flat angles P-C4'-P energy: -60.651
tors. eta vs tors. theta energy: -137.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1579.105990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.105990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.105990 (E_RNA)
where:
Base-Base interactions energy: -1108.175
where: short stacking energy: -460.406
Base-Backbone interact. energy: 1.723
local terms energy: -472.653870
where:
bonds (distance) C4'-P energy: -89.796
bonds (distance) P-C4' energy: -94.138
flat angles C4'-P-C4' energy: -99.480
flat angles P-C4'-P energy: -56.935
tors. eta vs tors. theta energy: -132.306
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: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1432.892341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.892341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.892341 (E_RNA)
where:
Base-Base interactions energy: -970.876
where: short stacking energy: -424.616
Base-Backbone interact. energy: -2.549
local terms energy: -459.467144
where:
bonds (distance) C4'-P energy: -76.002
bonds (distance) P-C4' energy: -86.148
flat angles C4'-P-C4' energy: -107.692
flat angles P-C4'-P energy: -57.977
tors. eta vs tors. theta energy: -131.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1352.749775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.749775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.749775 (E_RNA)
where:
Base-Base interactions energy: -937.711
where: short stacking energy: -375.055
Base-Backbone interact. energy: 1.572
local terms energy: -416.610316
where:
bonds (distance) C4'-P energy: -94.894
bonds (distance) P-C4' energy: -70.234
flat angles C4'-P-C4' energy: -95.847
flat angles P-C4'-P energy: -56.068
tors. eta vs tors. theta energy: -99.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1275.272911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.272911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.272911 (E_RNA)
where:
Base-Base interactions energy: -879.706
where: short stacking energy: -360.034
Base-Backbone interact. energy: 4.242
local terms energy: -399.809516
where:
bonds (distance) C4'-P energy: -78.941
bonds (distance) P-C4' energy: -91.158
flat angles C4'-P-C4' energy: -85.694
flat angles P-C4'-P energy: -54.552
tors. eta vs tors. theta energy: -89.465
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: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1235.723237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.723237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.723237 (E_RNA)
where:
Base-Base interactions energy: -870.487
where: short stacking energy: -361.547
Base-Backbone interact. energy: 0.088
local terms energy: -365.324193
where:
bonds (distance) C4'-P energy: -70.083
bonds (distance) P-C4' energy: -87.205
flat angles C4'-P-C4' energy: -78.538
flat angles P-C4'-P energy: -47.418
tors. eta vs tors. theta energy: -82.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -715.895929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.895929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.895929 (E_RNA)
where:
Base-Base interactions energy: -428.348
where: short stacking energy: -212.442
Base-Backbone interact. energy: 3.425
local terms energy: -290.972895
where:
bonds (distance) C4'-P energy: -70.578
bonds (distance) P-C4' energy: -83.337
flat angles C4'-P-C4' energy: -65.195
flat angles P-C4'-P energy: -43.700
tors. eta vs tors. theta energy: -28.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1833.736029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.736029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.736029 (E_RNA)
where:
Base-Base interactions energy: -1291.807
where: short stacking energy: -531.616
Base-Backbone interact. energy: -2.554
local terms energy: -539.375262
where:
bonds (distance) C4'-P energy: -91.450
bonds (distance) P-C4' energy: -95.408
flat angles C4'-P-C4' energy: -116.553
flat angles P-C4'-P energy: -74.089
tors. eta vs tors. theta energy: -161.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1790.706207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.706207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.706207 (E_RNA)
where:
Base-Base interactions energy: -1250.771
where: short stacking energy: -536.342
Base-Backbone interact. energy: -0.042
local terms energy: -539.892701
where:
bonds (distance) C4'-P energy: -82.729
bonds (distance) P-C4' energy: -102.171
flat angles C4'-P-C4' energy: -113.404
flat angles P-C4'-P energy: -81.058
tors. eta vs tors. theta energy: -160.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1704.310346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.310346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.310346 (E_RNA)
where:
Base-Base interactions energy: -1216.825
where: short stacking energy: -505.050
Base-Backbone interact. energy: -0.976
local terms energy: -486.509211
where:
bonds (distance) C4'-P energy: -83.412
bonds (distance) P-C4' energy: -95.678
flat angles C4'-P-C4' energy: -103.985
flat angles P-C4'-P energy: -70.192
tors. eta vs tors. theta energy: -133.243
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: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1676.157867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.157867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.157867 (E_RNA)
where:
Base-Base interactions energy: -1182.511
where: short stacking energy: -491.920
Base-Backbone interact. energy: 0.327
local terms energy: -493.973999
where:
bonds (distance) C4'-P energy: -89.454
bonds (distance) P-C4' energy: -83.930
flat angles C4'-P-C4' energy: -102.478
flat angles P-C4'-P energy: -77.923
tors. eta vs tors. theta energy: -140.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1597.923026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.923026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.923026 (E_RNA)
where:
Base-Base interactions energy: -1124.290
where: short stacking energy: -426.050
Base-Backbone interact. energy: -0.783
local terms energy: -472.849438
where:
bonds (distance) C4'-P energy: -96.753
bonds (distance) P-C4' energy: -88.323
flat angles C4'-P-C4' energy: -106.569
flat angles P-C4'-P energy: -66.845
tors. eta vs tors. theta energy: -114.359
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: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1421.112819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.112819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.112819 (E_RNA)
where:
Base-Base interactions energy: -971.343
where: short stacking energy: -421.171
Base-Backbone interact. energy: -1.025
local terms energy: -448.745231
where:
bonds (distance) C4'-P energy: -81.460
bonds (distance) P-C4' energy: -84.596
flat angles C4'-P-C4' energy: -98.300
flat angles P-C4'-P energy: -73.444
tors. eta vs tors. theta energy: -110.945
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: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1329.400525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.400525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.400525 (E_RNA)
where:
Base-Base interactions energy: -925.306
where: short stacking energy: -387.962
Base-Backbone interact. energy: -1.667
local terms energy: -402.427074
where:
bonds (distance) C4'-P energy: -75.949
bonds (distance) P-C4' energy: -81.890
flat angles C4'-P-C4' energy: -90.155
flat angles P-C4'-P energy: -57.813
tors. eta vs tors. theta energy: -96.619
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: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1272.243724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.243724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.243724 (E_RNA)
where:
Base-Base interactions energy: -870.188
where: short stacking energy: -350.545
Base-Backbone interact. energy: 1.048
local terms energy: -403.104151
where:
bonds (distance) C4'-P energy: -70.438
bonds (distance) P-C4' energy: -97.748
flat angles C4'-P-C4' energy: -80.764
flat angles P-C4'-P energy: -56.625
tors. eta vs tors. theta energy: -97.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1212.065269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.065269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.065269 (E_RNA)
where:
Base-Base interactions energy: -835.291
where: short stacking energy: -341.123
Base-Backbone interact. energy: 0.248
local terms energy: -377.022964
where:
bonds (distance) C4'-P energy: -84.567
bonds (distance) P-C4' energy: -69.490
flat angles C4'-P-C4' energy: -97.293
flat angles P-C4'-P energy: -49.932
tors. eta vs tors. theta energy: -75.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -712.048490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.048490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.048490 (E_RNA)
where:
Base-Base interactions energy: -426.711
where: short stacking energy: -202.782
Base-Backbone interact. energy: 2.516
local terms energy: -287.852733
where:
bonds (distance) C4'-P energy: -74.637
bonds (distance) P-C4' energy: -75.391
flat angles C4'-P-C4' energy: -70.725
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -33.062
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: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1834.528798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.528798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.528798 (E_RNA)
where:
Base-Base interactions energy: -1283.990
where: short stacking energy: -526.979
Base-Backbone interact. energy: -1.084
local terms energy: -549.454848
where:
bonds (distance) C4'-P energy: -97.070
bonds (distance) P-C4' energy: -99.386
flat angles C4'-P-C4' energy: -118.975
flat angles P-C4'-P energy: -73.661
tors. eta vs tors. theta energy: -160.362
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: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1740.042017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.042017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.042017 (E_RNA)
where:
Base-Base interactions energy: -1227.712
where: short stacking energy: -513.076
Base-Backbone interact. energy: -1.977
local terms energy: -510.353119
where:
bonds (distance) C4'-P energy: -93.427
bonds (distance) P-C4' energy: -98.897
flat angles C4'-P-C4' energy: -100.448
flat angles P-C4'-P energy: -71.845
tors. eta vs tors. theta energy: -145.736
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: 7
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1762.670853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.670853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.670853 (E_RNA)
where:
Base-Base interactions energy: -1228.615
where: short stacking energy: -516.569
Base-Backbone interact. energy: -3.413
local terms energy: -530.642410
where:
bonds (distance) C4'-P energy: -93.740
bonds (distance) P-C4' energy: -82.862
flat angles C4'-P-C4' energy: -110.825
flat angles P-C4'-P energy: -78.285
tors. eta vs tors. theta energy: -164.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1656.162010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.162010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.162010 (E_RNA)
where:
Base-Base interactions energy: -1180.763
where: short stacking energy: -485.359
Base-Backbone interact. energy: -2.679
local terms energy: -472.720088
where:
bonds (distance) C4'-P energy: -72.430
bonds (distance) P-C4' energy: -92.017
flat angles C4'-P-C4' energy: -98.209
flat angles P-C4'-P energy: -64.739
tors. eta vs tors. theta energy: -145.325
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: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1578.532275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.532275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.532275 (E_RNA)
where:
Base-Base interactions energy: -1104.898
where: short stacking energy: -458.812
Base-Backbone interact. energy: -1.711
local terms energy: -471.923076
where:
bonds (distance) C4'-P energy: -92.749
bonds (distance) P-C4' energy: -80.996
flat angles C4'-P-C4' energy: -96.910
flat angles P-C4'-P energy: -64.938
tors. eta vs tors. theta energy: -136.330
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: 71
Temperature: 1.150000
Total energy: -1412.176769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.176769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.176769 (E_RNA)
where:
Base-Base interactions energy: -986.399
where: short stacking energy: -411.697
Base-Backbone interact. energy: -2.271
local terms energy: -423.506270
where:
bonds (distance) C4'-P energy: -83.579
bonds (distance) P-C4' energy: -89.470
flat angles C4'-P-C4' energy: -98.521
flat angles P-C4'-P energy: -48.557
tors. eta vs tors. theta energy: -103.379
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: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1336.039149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.039149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.039149 (E_RNA)
where:
Base-Base interactions energy: -917.203
where: short stacking energy: -375.842
Base-Backbone interact. energy: 1.287
local terms energy: -420.123702
where:
bonds (distance) C4'-P energy: -84.340
bonds (distance) P-C4' energy: -80.745
flat angles C4'-P-C4' energy: -91.655
flat angles P-C4'-P energy: -57.419
tors. eta vs tors. theta energy: -105.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1251.221235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.221235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.221235 (E_RNA)
where:
Base-Base interactions energy: -852.904
where: short stacking energy: -336.964
Base-Backbone interact. energy: 2.663
local terms energy: -400.980659
where:
bonds (distance) C4'-P energy: -86.697
bonds (distance) P-C4' energy: -88.718
flat angles C4'-P-C4' energy: -86.094
flat angles P-C4'-P energy: -69.161
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: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1227.033800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.033800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.033800 (E_RNA)
where:
Base-Base interactions energy: -837.374
where: short stacking energy: -328.031
Base-Backbone interact. energy: -1.006
local terms energy: -388.654196
where:
bonds (distance) C4'-P energy: -89.800
bonds (distance) P-C4' energy: -65.669
flat angles C4'-P-C4' energy: -94.152
flat angles P-C4'-P energy: -50.307
tors. eta vs tors. theta energy: -88.726
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: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -643.896419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.896419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.896419 (E_RNA)
where:
Base-Base interactions energy: -352.943
where: short stacking energy: -195.732
Base-Backbone interact. energy: -2.245
local terms energy: -288.707909
where:
bonds (distance) C4'-P energy: -74.372
bonds (distance) P-C4' energy: -90.392
flat angles C4'-P-C4' energy: -68.771
flat angles P-C4'-P energy: -33.128
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1813.054636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.054636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.054636 (E_RNA)
where:
Base-Base interactions energy: -1267.277
where: short stacking energy: -544.768
Base-Backbone interact. energy: 1.064
local terms energy: -546.841033
where:
bonds (distance) C4'-P energy: -100.800
bonds (distance) P-C4' energy: -101.454
flat angles C4'-P-C4' energy: -115.935
flat angles P-C4'-P energy: -73.627
tors. eta vs tors. theta energy: -155.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1747.042730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.042730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.042730 (E_RNA)
where:
Base-Base interactions energy: -1217.768
where: short stacking energy: -530.774
Base-Backbone interact. energy: -0.609
local terms energy: -528.665864
where:
bonds (distance) C4'-P energy: -95.742
bonds (distance) P-C4' energy: -103.418
flat angles C4'-P-C4' energy: -118.668
flat angles P-C4'-P energy: -70.761
tors. eta vs tors. theta energy: -140.076
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: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1714.841163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.841163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.841163 (E_RNA)
where:
Base-Base interactions energy: -1208.971
where: short stacking energy: -496.791
Base-Backbone interact. energy: 0.950
local terms energy: -506.820404
where:
bonds (distance) C4'-P energy: -95.744
bonds (distance) P-C4' energy: -92.130
flat angles C4'-P-C4' energy: -109.366
flat angles P-C4'-P energy: -69.456
tors. eta vs tors. theta energy: -140.124
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: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1663.343099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.343099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.343099 (E_RNA)
where:
Base-Base interactions energy: -1165.352
where: short stacking energy: -476.316
Base-Backbone interact. energy: -2.506
local terms energy: -495.485061
where:
bonds (distance) C4'-P energy: -86.757
bonds (distance) P-C4' energy: -88.979
flat angles C4'-P-C4' energy: -108.185
flat angles P-C4'-P energy: -73.160
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: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1609.529481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.529481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.529481 (E_RNA)
where:
Base-Base interactions energy: -1143.371
where: short stacking energy: -487.809
Base-Backbone interact. energy: -0.719
local terms energy: -465.439223
where:
bonds (distance) C4'-P energy: -83.490
bonds (distance) P-C4' energy: -86.220
flat angles C4'-P-C4' energy: -95.991
flat angles P-C4'-P energy: -68.761
tors. eta vs tors. theta energy: -130.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1380.007042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.007042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.007042 (E_RNA)
where:
Base-Base interactions energy: -947.777
where: short stacking energy: -404.870
Base-Backbone interact. energy: -1.890
local terms energy: -430.340003
where:
bonds (distance) C4'-P energy: -88.189
bonds (distance) P-C4' energy: -81.304
flat angles C4'-P-C4' energy: -102.206
flat angles P-C4'-P energy: -46.470
tors. eta vs tors. theta energy: -112.171
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: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1375.624419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.624419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.624419 (E_RNA)
where:
Base-Base interactions energy: -968.037
where: short stacking energy: -416.705
Base-Backbone interact. energy: -2.620
local terms energy: -404.967620
where:
bonds (distance) C4'-P energy: -67.485
bonds (distance) P-C4' energy: -82.214
flat angles C4'-P-C4' energy: -106.772
flat angles P-C4'-P energy: -43.094
tors. eta vs tors. theta energy: -105.403
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: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1292.709297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.709297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.709297 (E_RNA)
where:
Base-Base interactions energy: -894.827
where: short stacking energy: -345.104
Base-Backbone interact. energy: -2.646
local terms energy: -395.236788
where:
bonds (distance) C4'-P energy: -78.138
bonds (distance) P-C4' energy: -77.343
flat angles C4'-P-C4' energy: -99.413
flat angles P-C4'-P energy: -56.367
tors. eta vs tors. theta energy: -83.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1253.233696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.233696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.233696 (E_RNA)
where:
Base-Base interactions energy: -877.847
where: short stacking energy: -333.181
Base-Backbone interact. energy: -0.942
local terms energy: -374.444827
where:
bonds (distance) C4'-P energy: -75.253
bonds (distance) P-C4' energy: -86.702
flat angles C4'-P-C4' energy: -84.587
flat angles P-C4'-P energy: -44.639
tors. eta vs tors. theta energy: -83.264
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: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -619.323471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.323471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.323471 (E_RNA)
where:
Base-Base interactions energy: -348.759
where: short stacking energy: -183.220
Base-Backbone interact. energy: -2.664
local terms energy: -267.900433
where:
bonds (distance) C4'-P energy: -79.948
bonds (distance) P-C4' energy: -84.235
flat angles C4'-P-C4' energy: -63.900
flat angles P-C4'-P energy: -34.089
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: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1824.168096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.168096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.168096 (E_RNA)
where:
Base-Base interactions energy: -1275.791
where: short stacking energy: -580.852
Base-Backbone interact. energy: -0.851
local terms energy: -547.526417
where:
bonds (distance) C4'-P energy: -101.616
bonds (distance) P-C4' energy: -99.538
flat angles C4'-P-C4' energy: -120.155
flat angles P-C4'-P energy: -69.048
tors. eta vs tors. theta energy: -157.169
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: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1745.774263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.774263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.774263 (E_RNA)
where:
Base-Base interactions energy: -1226.397
where: short stacking energy: -520.849
Base-Backbone interact. energy: -0.979
local terms energy: -518.398092
where:
bonds (distance) C4'-P energy: -95.885
bonds (distance) P-C4' energy: -96.372
flat angles C4'-P-C4' energy: -96.190
flat angles P-C4'-P energy: -82.488
tors. eta vs tors. theta energy: -147.463
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: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1674.010810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.010810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.010810 (E_RNA)
where:
Base-Base interactions energy: -1184.065
where: short stacking energy: -505.309
Base-Backbone interact. energy: -3.289
local terms energy: -486.656936
where:
bonds (distance) C4'-P energy: -82.162
bonds (distance) P-C4' energy: -99.744
flat angles C4'-P-C4' energy: -105.478
flat angles P-C4'-P energy: -62.446
tors. eta vs tors. theta energy: -136.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1667.194383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.194383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.194383 (E_RNA)
where:
Base-Base interactions energy: -1174.287
where: short stacking energy: -495.945
Base-Backbone interact. energy: -2.359
local terms energy: -490.549143
where:
bonds (distance) C4'-P energy: -89.468
bonds (distance) P-C4' energy: -75.468
flat angles C4'-P-C4' energy: -113.517
flat angles P-C4'-P energy: -74.440
tors. eta vs tors. theta energy: -137.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1646.930281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.930281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.930281 (E_RNA)
where:
Base-Base interactions energy: -1159.449
where: short stacking energy: -490.460
Base-Backbone interact. energy: 0.118
local terms energy: -487.599110
where:
bonds (distance) C4'-P energy: -82.970
bonds (distance) P-C4' energy: -95.151
flat angles C4'-P-C4' energy: -104.518
flat angles P-C4'-P energy: -67.775
tors. eta vs tors. theta energy: -137.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1404.971330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.971330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.971330 (E_RNA)
where:
Base-Base interactions energy: -965.016
where: short stacking energy: -419.940
Base-Backbone interact. energy: -3.418
local terms energy: -436.536490
where:
bonds (distance) C4'-P energy: -78.212
bonds (distance) P-C4' energy: -84.706
flat angles C4'-P-C4' energy: -97.390
flat angles P-C4'-P energy: -60.990
tors. eta vs tors. theta energy: -115.239
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: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1309.757422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.757422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.757422 (E_RNA)
where:
Base-Base interactions energy: -883.351
where: short stacking energy: -373.564
Base-Backbone interact. energy: -0.289
local terms energy: -426.117414
where:
bonds (distance) C4'-P energy: -82.604
bonds (distance) P-C4' energy: -81.901
flat angles C4'-P-C4' energy: -100.715
flat angles P-C4'-P energy: -66.510
tors. eta vs tors. theta energy: -94.388
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: 73
Temperature: 1.250000
Total energy: -1315.909694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.909694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.909694 (E_RNA)
where:
Base-Base interactions energy: -893.061
where: short stacking energy: -354.818
Base-Backbone interact. energy: 2.810
local terms energy: -425.658646
where:
bonds (distance) C4'-P energy: -88.292
bonds (distance) P-C4' energy: -79.052
flat angles C4'-P-C4' energy: -95.004
flat angles P-C4'-P energy: -66.808
tors. eta vs tors. theta energy: -96.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1170.571549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.571549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.571549 (E_RNA)
where:
Base-Base interactions energy: -764.030
where: short stacking energy: -327.420
Base-Backbone interact. energy: 3.754
local terms energy: -410.295177
where:
bonds (distance) C4'-P energy: -73.830
bonds (distance) P-C4' energy: -91.795
flat angles C4'-P-C4' energy: -101.010
flat angles P-C4'-P energy: -61.103
tors. eta vs tors. theta energy: -82.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -644.430197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.430197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.430197 (E_RNA)
where:
Base-Base interactions energy: -353.426
where: short stacking energy: -189.965
Base-Backbone interact. energy: -0.063
local terms energy: -290.941133
where:
bonds (distance) C4'-P energy: -76.116
bonds (distance) P-C4' energy: -80.492
flat angles C4'-P-C4' energy: -72.801
flat angles P-C4'-P energy: -38.697
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: 1, replica: 8
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1844.976510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.976510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.976510 (E_RNA)
where:
Base-Base interactions energy: -1300.356
where: short stacking energy: -542.214
Base-Backbone interact. energy: -1.242
local terms energy: -543.378331
where:
bonds (distance) C4'-P energy: -93.899
bonds (distance) P-C4' energy: -94.809
flat angles C4'-P-C4' energy: -110.718
flat angles P-C4'-P energy: -87.261
tors. eta vs tors. theta energy: -156.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1795.553348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.553348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.553348 (E_RNA)
where:
Base-Base interactions energy: -1262.970
where: short stacking energy: -544.724
Base-Backbone interact. energy: -1.315
local terms energy: -531.268421
where:
bonds (distance) C4'-P energy: -94.262
bonds (distance) P-C4' energy: -88.442
flat angles C4'-P-C4' energy: -113.717
flat angles P-C4'-P energy: -81.168
tors. eta vs tors. theta energy: -153.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1687.226701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.226701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.226701 (E_RNA)
where:
Base-Base interactions energy: -1217.922
where: short stacking energy: -491.655
Base-Backbone interact. energy: 0.069
local terms energy: -469.373252
where:
bonds (distance) C4'-P energy: -72.118
bonds (distance) P-C4' energy: -89.817
flat angles C4'-P-C4' energy: -106.610
flat angles P-C4'-P energy: -73.486
tors. eta vs tors. theta energy: -127.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1656.375060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.375060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.375060 (E_RNA)
where:
Base-Base interactions energy: -1159.887
where: short stacking energy: -496.430
Base-Backbone interact. energy: -1.217
local terms energy: -495.271047
where:
bonds (distance) C4'-P energy: -90.666
bonds (distance) P-C4' energy: -98.414
flat angles C4'-P-C4' energy: -103.158
flat angles P-C4'-P energy: -67.715
tors. eta vs tors. theta energy: -135.318
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: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1626.206073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.206073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.206073 (E_RNA)
where:
Base-Base interactions energy: -1151.333
where: short stacking energy: -471.756
Base-Backbone interact. energy: -2.980
local terms energy: -471.892901
where:
bonds (distance) C4'-P energy: -81.988
bonds (distance) P-C4' energy: -94.730
flat angles C4'-P-C4' energy: -102.938
flat angles P-C4'-P energy: -63.150
tors. eta vs tors. theta energy: -129.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1406.058136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.058136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.058136 (E_RNA)
where:
Base-Base interactions energy: -936.859
where: short stacking energy: -412.296
Base-Backbone interact. energy: -3.868
local terms energy: -465.331399
where:
bonds (distance) C4'-P energy: -91.963
bonds (distance) P-C4' energy: -98.530
flat angles C4'-P-C4' energy: -100.161
flat angles P-C4'-P energy: -60.138
tors. eta vs tors. theta energy: -114.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1309.961155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.961155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.961155 (E_RNA)
where:
Base-Base interactions energy: -911.084
where: short stacking energy: -380.992
Base-Backbone interact. energy: -0.685
local terms energy: -398.192175
where:
bonds (distance) C4'-P energy: -70.841
bonds (distance) P-C4' energy: -82.109
flat angles C4'-P-C4' energy: -89.714
flat angles P-C4'-P energy: -66.299
tors. eta vs tors. theta energy: -89.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1267.474941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.474941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.474941 (E_RNA)
where:
Base-Base interactions energy: -863.995
where: short stacking energy: -362.346
Base-Backbone interact. energy: -1.972
local terms energy: -401.508247
where:
bonds (distance) C4'-P energy: -88.500
bonds (distance) P-C4' energy: -88.836
flat angles C4'-P-C4' energy: -90.646
flat angles P-C4'-P energy: -48.923
tors. eta vs tors. theta energy: -84.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1141.161965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.161965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.161965 (E_RNA)
where:
Base-Base interactions energy: -785.556
where: short stacking energy: -320.876
Base-Backbone interact. energy: -1.475
local terms energy: -354.131157
where:
bonds (distance) C4'-P energy: -74.765
bonds (distance) P-C4' energy: -57.342
flat angles C4'-P-C4' energy: -97.730
flat angles P-C4'-P energy: -55.994
tors. eta vs tors. theta energy: -68.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -616.345096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.345096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.345096 (E_RNA)
where:
Base-Base interactions energy: -330.184
where: short stacking energy: -175.533
Base-Backbone interact. energy: -2.469
local terms energy: -283.692811
where:
bonds (distance) C4'-P energy: -83.065
bonds (distance) P-C4' energy: -65.047
flat angles C4'-P-C4' energy: -75.775
flat angles P-C4'-P energy: -59.511
tors. eta vs tors. theta energy: -0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1846.159645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.159645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.159645 (E_RNA)
where:
Base-Base interactions energy: -1290.796
where: short stacking energy: -521.051
Base-Backbone interact. energy: -1.171
local terms energy: -554.192832
where:
bonds (distance) C4'-P energy: -104.612
bonds (distance) P-C4' energy: -96.072
flat angles C4'-P-C4' energy: -114.835
flat angles P-C4'-P energy: -81.750
tors. eta vs tors. theta energy: -156.923
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: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1780.217567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.217567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.217567 (E_RNA)
where:
Base-Base interactions energy: -1249.502
where: short stacking energy: -536.094
Base-Backbone interact. energy: -1.462
local terms energy: -529.253898
where:
bonds (distance) C4'-P energy: -90.925
bonds (distance) P-C4' energy: -95.072
flat angles C4'-P-C4' energy: -113.789
flat angles P-C4'-P energy: -73.687
tors. eta vs tors. theta energy: -155.781
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: 75
Temperature: 1.000000
Total energy: -1662.207483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.207483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.207483 (E_RNA)
where:
Base-Base interactions energy: -1153.634
where: short stacking energy: -482.461
Base-Backbone interact. energy: -2.474
local terms energy: -506.099441
where:
bonds (distance) C4'-P energy: -88.618
bonds (distance) P-C4' energy: -93.394
flat angles C4'-P-C4' energy: -116.382
flat angles P-C4'-P energy: -73.176
tors. eta vs tors. theta energy: -134.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1647.473091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.473091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.473091 (E_RNA)
where:
Base-Base interactions energy: -1165.167
where: short stacking energy: -492.890
Base-Backbone interact. energy: -0.630
local terms energy: -481.676009
where:
bonds (distance) C4'-P energy: -85.195
bonds (distance) P-C4' energy: -92.353
flat angles C4'-P-C4' energy: -102.502
flat angles P-C4'-P energy: -61.249
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: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1616.604586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.604586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.604586 (E_RNA)
where:
Base-Base interactions energy: -1141.025
where: short stacking energy: -478.690
Base-Backbone interact. energy: -0.867
local terms energy: -474.713415
where:
bonds (distance) C4'-P energy: -83.084
bonds (distance) P-C4' energy: -89.300
flat angles C4'-P-C4' energy: -101.737
flat angles P-C4'-P energy: -72.526
tors. eta vs tors. theta energy: -128.066
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: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1437.046557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.046557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.046557 (E_RNA)
where:
Base-Base interactions energy: -995.151
where: short stacking energy: -420.912
Base-Backbone interact. energy: 1.381
local terms energy: -443.276554
where:
bonds (distance) C4'-P energy: -86.623
bonds (distance) P-C4' energy: -89.813
flat angles C4'-P-C4' energy: -98.617
flat angles P-C4'-P energy: -60.395
tors. eta vs tors. theta energy: -107.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1334.872881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.872881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.872881 (E_RNA)
where:
Base-Base interactions energy: -932.018
where: short stacking energy: -357.200
Base-Backbone interact. energy: -0.784
local terms energy: -402.071331
where:
bonds (distance) C4'-P energy: -90.232
bonds (distance) P-C4' energy: -80.467
flat angles C4'-P-C4' energy: -72.207
flat angles P-C4'-P energy: -64.967
tors. eta vs tors. theta energy: -94.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1234.812321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.812321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.812321 (E_RNA)
where:
Base-Base interactions energy: -850.328
where: short stacking energy: -309.360
Base-Backbone interact. energy: -1.013
local terms energy: -383.471593
where:
bonds (distance) C4'-P energy: -88.595
bonds (distance) P-C4' energy: -64.326
flat angles C4'-P-C4' energy: -86.230
flat angles P-C4'-P energy: -71.670
tors. eta vs tors. theta energy: -72.651
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: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1074.056148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.056148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.056148 (E_RNA)
where:
Base-Base interactions energy: -709.850
where: short stacking energy: -279.832
Base-Backbone interact. energy: -2.822
local terms energy: -361.384856
where:
bonds (distance) C4'-P energy: -66.049
bonds (distance) P-C4' energy: -81.954
flat angles C4'-P-C4' energy: -89.542
flat angles P-C4'-P energy: -70.668
tors. eta vs tors. theta energy: -53.171
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: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -611.689909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.689909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.689909 (E_RNA)
where:
Base-Base interactions energy: -331.586
where: short stacking energy: -174.286
Base-Backbone interact. energy: -1.902
local terms energy: -278.201484
where:
bonds (distance) C4'-P energy: -85.774
bonds (distance) P-C4' energy: -74.002
flat angles C4'-P-C4' energy: -57.132
flat angles P-C4'-P energy: -43.553
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1836.417411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.417411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.417411 (E_RNA)
where:
Base-Base interactions energy: -1294.230
where: short stacking energy: -531.394
Base-Backbone interact. energy: -3.405
local terms energy: -538.782467
where:
bonds (distance) C4'-P energy: -92.397
bonds (distance) P-C4' energy: -95.945
flat angles C4'-P-C4' energy: -114.851
flat angles P-C4'-P energy: -81.821
tors. eta vs tors. theta energy: -153.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1783.754839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.754839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.754839 (E_RNA)
where:
Base-Base interactions energy: -1255.141
where: short stacking energy: -556.293
Base-Backbone interact. energy: -0.243
local terms energy: -528.370773
where:
bonds (distance) C4'-P energy: -91.750
bonds (distance) P-C4' energy: -86.315
flat angles C4'-P-C4' energy: -110.235
flat angles P-C4'-P energy: -71.629
tors. eta vs tors. theta energy: -168.442
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: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1660.317168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.317168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.317168 (E_RNA)
where:
Base-Base interactions energy: -1175.116
where: short stacking energy: -486.408
Base-Backbone interact. energy: -1.140
local terms energy: -484.061763
where:
bonds (distance) C4'-P energy: -88.826
bonds (distance) P-C4' energy: -88.167
flat angles C4'-P-C4' energy: -115.129
flat angles P-C4'-P energy: -69.477
tors. eta vs tors. theta energy: -122.463
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: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1685.199200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.199200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.199200 (E_RNA)
where:
Base-Base interactions energy: -1180.694
where: short stacking energy: -477.501
Base-Backbone interact. energy: 3.004
local terms energy: -507.509500
where:
bonds (distance) C4'-P energy: -82.864
bonds (distance) P-C4' energy: -98.888
flat angles C4'-P-C4' energy: -106.811
flat angles P-C4'-P energy: -76.120
tors. eta vs tors. theta energy: -142.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1616.930032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.930032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.930032 (E_RNA)
where:
Base-Base interactions energy: -1131.938
where: short stacking energy: -470.269
Base-Backbone interact. energy: 0.152
local terms energy: -485.143716
where:
bonds (distance) C4'-P energy: -87.845
bonds (distance) P-C4' energy: -92.340
flat angles C4'-P-C4' energy: -105.785
flat angles P-C4'-P energy: -67.553
tors. eta vs tors. theta energy: -131.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1454.313625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.313625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.313625 (E_RNA)
where:
Base-Base interactions energy: -992.819
where: short stacking energy: -436.201
Base-Backbone interact. energy: -1.138
local terms energy: -460.355869
where:
bonds (distance) C4'-P energy: -87.155
bonds (distance) P-C4' energy: -84.175
flat angles C4'-P-C4' energy: -106.654
flat angles P-C4'-P energy: -65.946
tors. eta vs tors. theta energy: -116.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1319.980520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.980520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.980520 (E_RNA)
where:
Base-Base interactions energy: -907.437
where: short stacking energy: -352.482
Base-Backbone interact. energy: 0.434
local terms energy: -412.978072
where:
bonds (distance) C4'-P energy: -81.899
bonds (distance) P-C4' energy: -88.401
flat angles C4'-P-C4' energy: -103.668
flat angles P-C4'-P energy: -52.638
tors. eta vs tors. theta energy: -86.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1220.550222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.550222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.550222 (E_RNA)
where:
Base-Base interactions energy: -818.732
where: short stacking energy: -332.912
Base-Backbone interact. energy: -2.297
local terms energy: -399.521824
where:
bonds (distance) C4'-P energy: -76.610
bonds (distance) P-C4' energy: -84.242
flat angles C4'-P-C4' energy: -91.590
flat angles P-C4'-P energy: -64.557
tors. eta vs tors. theta energy: -82.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1069.593360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.593360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.593360 (E_RNA)
where:
Base-Base interactions energy: -713.861
where: short stacking energy: -309.677
Base-Backbone interact. energy: 0.210
local terms energy: -355.942387
where:
bonds (distance) C4'-P energy: -79.265
bonds (distance) P-C4' energy: -91.870
flat angles C4'-P-C4' energy: -87.358
flat angles P-C4'-P energy: -39.686
tors. eta vs tors. theta energy: -57.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -678.978380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.978380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.978380 (E_RNA)
where:
Base-Base interactions energy: -360.525
where: short stacking energy: -199.783
Base-Backbone interact. energy: 4.947
local terms energy: -323.400142
where:
bonds (distance) C4'-P energy: -93.756
bonds (distance) P-C4' energy: -89.440
flat angles C4'-P-C4' energy: -61.638
flat angles P-C4'-P energy: -49.163
tors. eta vs tors. theta energy: -29.403
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: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1843.325554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.325554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.325554 (E_RNA)
where:
Base-Base interactions energy: -1301.632
where: short stacking energy: -543.413
Base-Backbone interact. energy: -2.726
local terms energy: -538.967610
where:
bonds (distance) C4'-P energy: -94.270
bonds (distance) P-C4' energy: -95.174
flat angles C4'-P-C4' energy: -112.416
flat angles P-C4'-P energy: -80.076
tors. eta vs tors. theta energy: -157.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1776.799305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.799305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.799305 (E_RNA)
where:
Base-Base interactions energy: -1242.304
where: short stacking energy: -541.871
Base-Backbone interact. energy: -1.793
local terms energy: -532.702115
where:
bonds (distance) C4'-P energy: -84.984
bonds (distance) P-C4' energy: -102.386
flat angles C4'-P-C4' energy: -103.881
flat angles P-C4'-P energy: -84.084
tors. eta vs tors. theta energy: -157.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1690.964225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.964225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.964225 (E_RNA)
where:
Base-Base interactions energy: -1217.672
where: short stacking energy: -503.340
Base-Backbone interact. energy: -3.548
local terms energy: -469.744573
where:
bonds (distance) C4'-P energy: -86.834
bonds (distance) P-C4' energy: -84.720
flat angles C4'-P-C4' energy: -103.743
flat angles P-C4'-P energy: -64.412
tors. eta vs tors. theta energy: -130.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1688.758620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.758620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.758620 (E_RNA)
where:
Base-Base interactions energy: -1181.133
where: short stacking energy: -483.663
Base-Backbone interact. energy: -1.424
local terms energy: -506.201366
where:
bonds (distance) C4'-P energy: -79.275
bonds (distance) P-C4' energy: -106.200
flat angles C4'-P-C4' energy: -103.152
flat angles P-C4'-P energy: -75.053
tors. eta vs tors. theta energy: -142.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1611.062827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.062827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.062827 (E_RNA)
where:
Base-Base interactions energy: -1165.766
where: short stacking energy: -478.905
Base-Backbone interact. energy: -0.622
local terms energy: -444.675392
where:
bonds (distance) C4'-P energy: -88.424
bonds (distance) P-C4' energy: -79.868
flat angles C4'-P-C4' energy: -96.214
flat angles P-C4'-P energy: -49.917
tors. eta vs tors. theta energy: -130.252
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: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1447.539551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.539551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.539551 (E_RNA)
where:
Base-Base interactions energy: -1011.471
where: short stacking energy: -426.898
Base-Backbone interact. energy: 0.323
local terms energy: -436.390794
where:
bonds (distance) C4'-P energy: -73.025
bonds (distance) P-C4' energy: -88.952
flat angles C4'-P-C4' energy: -103.016
flat angles P-C4'-P energy: -56.788
tors. eta vs tors. theta energy: -114.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1285.826782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.826782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.826782 (E_RNA)
where:
Base-Base interactions energy: -890.068
where: short stacking energy: -361.190
Base-Backbone interact. energy: -1.879
local terms energy: -393.879730
where:
bonds (distance) C4'-P energy: -74.506
bonds (distance) P-C4' energy: -71.806
flat angles C4'-P-C4' energy: -87.638
flat angles P-C4'-P energy: -67.691
tors. eta vs tors. theta energy: -92.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1245.598268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.598268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.598268 (E_RNA)
where:
Base-Base interactions energy: -864.030
where: short stacking energy: -350.989
Base-Backbone interact. energy: 0.420
local terms energy: -381.987944
where:
bonds (distance) C4'-P energy: -84.039
bonds (distance) P-C4' energy: -66.116
flat angles C4'-P-C4' energy: -79.609
flat angles P-C4'-P energy: -63.360
tors. eta vs tors. theta energy: -88.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1101.674516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.674516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.674516 (E_RNA)
where:
Base-Base interactions energy: -747.913
where: short stacking energy: -310.957
Base-Backbone interact. energy: 2.530
local terms energy: -356.291968
where:
bonds (distance) C4'-P energy: -66.259
bonds (distance) P-C4' energy: -90.246
flat angles C4'-P-C4' energy: -74.777
flat angles P-C4'-P energy: -64.290
tors. eta vs tors. theta energy: -60.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -668.688430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.688430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.688430 (E_RNA)
where:
Base-Base interactions energy: -374.170
where: short stacking energy: -168.686
Base-Backbone interact. energy: -0.472
local terms energy: -294.047338
where:
bonds (distance) C4'-P energy: -74.700
bonds (distance) P-C4' energy: -86.905
flat angles C4'-P-C4' energy: -60.447
flat angles P-C4'-P energy: -53.656
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1821.152829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.152829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.152829 (E_RNA)
where:
Base-Base interactions energy: -1287.630
where: short stacking energy: -530.140
Base-Backbone interact. energy: -4.105
local terms energy: -529.418680
where:
bonds (distance) C4'-P energy: -92.898
bonds (distance) P-C4' energy: -90.677
flat angles C4'-P-C4' energy: -106.764
flat angles P-C4'-P energy: -78.599
tors. eta vs tors. theta energy: -160.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1824.781581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.781581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.781581 (E_RNA)
where:
Base-Base interactions energy: -1282.136
where: short stacking energy: -541.690
Base-Backbone interact. energy: -2.039
local terms energy: -540.606581
where:
bonds (distance) C4'-P energy: -91.426
bonds (distance) P-C4' energy: -99.091
flat angles C4'-P-C4' energy: -114.860
flat angles P-C4'-P energy: -79.033
tors. eta vs tors. theta energy: -156.197
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: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1699.893724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.893724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.893724 (E_RNA)
where:
Base-Base interactions energy: -1201.435
where: short stacking energy: -490.695
Base-Backbone interact. energy: -2.644
local terms energy: -495.815114
where:
bonds (distance) C4'-P energy: -88.341
bonds (distance) P-C4' energy: -100.166
flat angles C4'-P-C4' energy: -96.214
flat angles P-C4'-P energy: -77.229
tors. eta vs tors. theta energy: -133.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1677.562098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.562098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.562098 (E_RNA)
where:
Base-Base interactions energy: -1197.131
where: short stacking energy: -483.242
Base-Backbone interact. energy: -1.971
local terms energy: -478.460663
where:
bonds (distance) C4'-P energy: -79.574
bonds (distance) P-C4' energy: -96.026
flat angles C4'-P-C4' energy: -88.880
flat angles P-C4'-P energy: -72.564
tors. eta vs tors. theta energy: -141.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1612.103998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.103998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.103998 (E_RNA)
where:
Base-Base interactions energy: -1152.864
where: short stacking energy: -467.509
Base-Backbone interact. energy: 1.003
local terms energy: -460.243552
where:
bonds (distance) C4'-P energy: -78.872
bonds (distance) P-C4' energy: -81.401
flat angles C4'-P-C4' energy: -100.096
flat angles P-C4'-P energy: -73.456
tors. eta vs tors. theta energy: -126.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1436.611687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.611687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.611687 (E_RNA)
where:
Base-Base interactions energy: -993.851
where: short stacking energy: -421.036
Base-Backbone interact. energy: 0.552
local terms energy: -443.313372
where:
bonds (distance) C4'-P energy: -74.529
bonds (distance) P-C4' energy: -83.216
flat angles C4'-P-C4' energy: -92.672
flat angles P-C4'-P energy: -61.173
tors. eta vs tors. theta energy: -131.724
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: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1304.161558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.161558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.161558 (E_RNA)
where:
Base-Base interactions energy: -898.261
where: short stacking energy: -376.931
Base-Backbone interact. energy: 4.653
local terms energy: -410.553644
where:
bonds (distance) C4'-P energy: -87.361
bonds (distance) P-C4' energy: -82.201
flat angles C4'-P-C4' energy: -93.750
flat angles P-C4'-P energy: -53.901
tors. eta vs tors. theta energy: -93.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1229.532478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.532478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.532478 (E_RNA)
where:
Base-Base interactions energy: -853.918
where: short stacking energy: -351.468
Base-Backbone interact. energy: 1.651
local terms energy: -377.265521
where:
bonds (distance) C4'-P energy: -70.591
bonds (distance) P-C4' energy: -77.770
flat angles C4'-P-C4' energy: -87.830
flat angles P-C4'-P energy: -58.969
tors. eta vs tors. theta energy: -82.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1087.813997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.813997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.813997 (E_RNA)
where:
Base-Base interactions energy: -712.138
where: short stacking energy: -303.360
Base-Backbone interact. energy: -1.268
local terms energy: -374.408087
where:
bonds (distance) C4'-P energy: -72.501
bonds (distance) P-C4' energy: -102.398
flat angles C4'-P-C4' energy: -80.120
flat angles P-C4'-P energy: -54.801
tors. eta vs tors. theta energy: -64.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -677.423533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.423533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.423533 (E_RNA)
where:
Base-Base interactions energy: -398.718
where: short stacking energy: -199.749
Base-Backbone interact. energy: 2.521
local terms energy: -281.226287
where:
bonds (distance) C4'-P energy: -69.278
bonds (distance) P-C4' energy: -73.724
flat angles C4'-P-C4' energy: -83.252
flat angles P-C4'-P energy: -45.941
tors. eta vs tors. theta energy: -9.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1850.406447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.406447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.406447 (E_RNA)
where:
Base-Base interactions energy: -1286.943
where: short stacking energy: -545.231
Base-Backbone interact. energy: 0.383
local terms energy: -563.846943
where:
bonds (distance) C4'-P energy: -90.974
bonds (distance) P-C4' energy: -103.581
flat angles C4'-P-C4' energy: -113.123
flat angles P-C4'-P energy: -91.611
tors. eta vs tors. theta energy: -164.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1758.649087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.649087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.649087 (E_RNA)
where:
Base-Base interactions energy: -1235.747
where: short stacking energy: -517.517
Base-Backbone interact. energy: -3.036
local terms energy: -519.866514
where:
bonds (distance) C4'-P energy: -83.147
bonds (distance) P-C4' energy: -101.519
flat angles C4'-P-C4' energy: -116.674
flat angles P-C4'-P energy: -83.321
tors. eta vs tors. theta energy: -135.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1759.400386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.400386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.400386 (E_RNA)
where:
Base-Base interactions energy: -1232.471
where: short stacking energy: -501.744
Base-Backbone interact. energy: -1.252
local terms energy: -525.677935
where:
bonds (distance) C4'-P energy: -93.652
bonds (distance) P-C4' energy: -86.939
flat angles C4'-P-C4' energy: -108.809
flat angles P-C4'-P energy: -84.850
tors. eta vs tors. theta energy: -151.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1668.019076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.019076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.019076 (E_RNA)
where:
Base-Base interactions energy: -1186.969
where: short stacking energy: -497.817
Base-Backbone interact. energy: 0.432
local terms energy: -481.482269
where:
bonds (distance) C4'-P energy: -89.973
bonds (distance) P-C4' energy: -74.211
flat angles C4'-P-C4' energy: -108.122
flat angles P-C4'-P energy: -75.469
tors. eta vs tors. theta energy: -133.707
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: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1601.963897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.963897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.963897 (E_RNA)
where:
Base-Base interactions energy: -1122.501
where: short stacking energy: -473.591
Base-Backbone interact. energy: -0.805
local terms energy: -478.658181
where:
bonds (distance) C4'-P energy: -84.169
bonds (distance) P-C4' energy: -90.044
flat angles C4'-P-C4' energy: -104.416
flat angles P-C4'-P energy: -67.811
tors. eta vs tors. theta energy: -132.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1444.514798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.514798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.514798 (E_RNA)
where:
Base-Base interactions energy: -1002.112
where: short stacking energy: -422.350
Base-Backbone interact. energy: -0.191
local terms energy: -442.211396
where:
bonds (distance) C4'-P energy: -90.426
bonds (distance) P-C4' energy: -76.315
flat angles C4'-P-C4' energy: -84.828
flat angles P-C4'-P energy: -72.277
tors. eta vs tors. theta energy: -118.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1277.284621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.284621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.284621 (E_RNA)
where:
Base-Base interactions energy: -863.099
where: short stacking energy: -374.956
Base-Backbone interact. energy: -0.722
local terms energy: -413.463846
where:
bonds (distance) C4'-P energy: -85.636
bonds (distance) P-C4' energy: -73.932
flat angles C4'-P-C4' energy: -89.917
flat angles P-C4'-P energy: -55.504
tors. eta vs tors. theta energy: -108.475
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: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1316.739160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.739160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.739160 (E_RNA)
where:
Base-Base interactions energy: -920.934
where: short stacking energy: -406.463
Base-Backbone interact. energy: 0.266
local terms energy: -396.070705
where:
bonds (distance) C4'-P energy: -70.965
bonds (distance) P-C4' energy: -72.235
flat angles C4'-P-C4' energy: -102.441
flat angles P-C4'-P energy: -49.282
tors. eta vs tors. theta energy: -101.147
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: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1101.121986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.121986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.121986 (E_RNA)
where:
Base-Base interactions energy: -768.761
where: short stacking energy: -327.328
Base-Backbone interact. energy: 8.931
local terms energy: -341.291562
where:
bonds (distance) C4'-P energy: -69.652
bonds (distance) P-C4' energy: -78.295
flat angles C4'-P-C4' energy: -85.600
flat angles P-C4'-P energy: -35.842
tors. eta vs tors. theta energy: -71.904
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: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -674.073946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.073946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.073946 (E_RNA)
where:
Base-Base interactions energy: -368.010
where: short stacking energy: -187.299
Base-Backbone interact. energy: -0.177
local terms energy: -305.886511
where:
bonds (distance) C4'-P energy: -74.910
bonds (distance) P-C4' energy: -74.828
flat angles C4'-P-C4' energy: -74.269
flat angles P-C4'-P energy: -56.550
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1827.197854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.197854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.197854 (E_RNA)
where:
Base-Base interactions energy: -1281.286
where: short stacking energy: -543.476
Base-Backbone interact. energy: -2.080
local terms energy: -543.831783
where:
bonds (distance) C4'-P energy: -101.950
bonds (distance) P-C4' energy: -98.360
flat angles C4'-P-C4' energy: -110.023
flat angles P-C4'-P energy: -69.281
tors. eta vs tors. theta energy: -164.217
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: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1733.751244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.751244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.751244 (E_RNA)
where:
Base-Base interactions energy: -1232.610
where: short stacking energy: -500.259
Base-Backbone interact. energy: -2.980
local terms energy: -498.161629
where:
bonds (distance) C4'-P energy: -84.777
bonds (distance) P-C4' energy: -99.304
flat angles C4'-P-C4' energy: -108.564
flat angles P-C4'-P energy: -72.440
tors. eta vs tors. theta energy: -133.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1763.853323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.853323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.853323 (E_RNA)
where:
Base-Base interactions energy: -1243.543
where: short stacking energy: -509.751
Base-Backbone interact. energy: -0.231
local terms energy: -520.080068
where:
bonds (distance) C4'-P energy: -85.654
bonds (distance) P-C4' energy: -105.272
flat angles C4'-P-C4' energy: -116.974
flat angles P-C4'-P energy: -65.529
tors. eta vs tors. theta energy: -146.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1692.064107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.064107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.064107 (E_RNA)
where:
Base-Base interactions energy: -1201.838
where: short stacking energy: -503.531
Base-Backbone interact. energy: -2.181
local terms energy: -488.044635
where:
bonds (distance) C4'-P energy: -83.774
bonds (distance) P-C4' energy: -81.770
flat angles C4'-P-C4' energy: -109.295
flat angles P-C4'-P energy: -70.884
tors. eta vs tors. theta energy: -142.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1597.582153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.582153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.582153 (E_RNA)
where:
Base-Base interactions energy: -1111.522
where: short stacking energy: -426.691
Base-Backbone interact. energy: 2.089
local terms energy: -488.148544
where:
bonds (distance) C4'-P energy: -93.793
bonds (distance) P-C4' energy: -101.256
flat angles C4'-P-C4' energy: -97.458
flat angles P-C4'-P energy: -69.459
tors. eta vs tors. theta energy: -126.182
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: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1481.775348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.775348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.775348 (E_RNA)
where:
Base-Base interactions energy: -1029.175
where: short stacking energy: -450.301
Base-Backbone interact. energy: -0.106
local terms energy: -452.494657
where:
bonds (distance) C4'-P energy: -85.844
bonds (distance) P-C4' energy: -85.611
flat angles C4'-P-C4' energy: -87.818
flat angles P-C4'-P energy: -71.300
tors. eta vs tors. theta energy: -121.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1363.968412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.968412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.968412 (E_RNA)
where:
Base-Base interactions energy: -944.328
where: short stacking energy: -406.471
Base-Backbone interact. energy: -0.339
local terms energy: -419.301934
where:
bonds (distance) C4'-P energy: -76.389
bonds (distance) P-C4' energy: -92.360
flat angles C4'-P-C4' energy: -85.864
flat angles P-C4'-P energy: -60.251
tors. eta vs tors. theta energy: -104.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1268.040614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.040614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.040614 (E_RNA)
where:
Base-Base interactions energy: -874.997
where: short stacking energy: -358.599
Base-Backbone interact. energy: -0.806
local terms energy: -392.237834
where:
bonds (distance) C4'-P energy: -65.517
bonds (distance) P-C4' energy: -85.490
flat angles C4'-P-C4' energy: -92.762
flat angles P-C4'-P energy: -55.507
tors. eta vs tors. theta energy: -92.961
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: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1145.128910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.128910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.128910 (E_RNA)
where:
Base-Base interactions energy: -761.835
where: short stacking energy: -314.832
Base-Backbone interact. energy: -4.824
local terms energy: -378.470207
where:
bonds (distance) C4'-P energy: -68.460
bonds (distance) P-C4' energy: -94.878
flat angles C4'-P-C4' energy: -91.162
flat angles P-C4'-P energy: -55.239
tors. eta vs tors. theta energy: -68.731
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: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -675.541008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.541008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.541008 (E_RNA)
where:
Base-Base interactions energy: -374.149
where: short stacking energy: -180.585
Base-Backbone interact. energy: 1.331
local terms energy: -302.722947
where:
bonds (distance) C4'-P energy: -92.583
bonds (distance) P-C4' energy: -84.353
flat angles C4'-P-C4' energy: -80.406
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -12.716
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: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1853.187213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.187213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.187213 (E_RNA)
where:
Base-Base interactions energy: -1313.573
where: short stacking energy: -556.333
Base-Backbone interact. energy: 0.287
local terms energy: -539.901459
where:
bonds (distance) C4'-P energy: -92.382
bonds (distance) P-C4' energy: -97.664
flat angles C4'-P-C4' energy: -116.972
flat angles P-C4'-P energy: -81.708
tors. eta vs tors. theta energy: -151.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1752.413479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.413479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.413479 (E_RNA)
where:
Base-Base interactions energy: -1212.728
where: short stacking energy: -521.674
Base-Backbone interact. energy: -2.009
local terms energy: -537.675814
where:
bonds (distance) C4'-P energy: -92.894
bonds (distance) P-C4' energy: -105.228
flat angles C4'-P-C4' energy: -102.658
flat angles P-C4'-P energy: -82.273
tors. eta vs tors. theta energy: -154.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1685.938374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.938374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.938374 (E_RNA)
where:
Base-Base interactions energy: -1176.769
where: short stacking energy: -480.334
Base-Backbone interact. energy: -0.530
local terms energy: -508.638991
where:
bonds (distance) C4'-P energy: -95.894
bonds (distance) P-C4' energy: -95.469
flat angles C4'-P-C4' energy: -108.916
flat angles P-C4'-P energy: -80.102
tors. eta vs tors. theta energy: -128.258
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: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1644.698983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.698983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.698983 (E_RNA)
where:
Base-Base interactions energy: -1135.471
where: short stacking energy: -469.872
Base-Backbone interact. energy: -2.609
local terms energy: -506.618522
where:
bonds (distance) C4'-P energy: -83.085
bonds (distance) P-C4' energy: -97.589
flat angles C4'-P-C4' energy: -115.634
flat angles P-C4'-P energy: -68.615
tors. eta vs tors. theta energy: -141.695
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: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1583.119724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.119724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.119724 (E_RNA)
where:
Base-Base interactions energy: -1111.984
where: short stacking energy: -453.256
Base-Backbone interact. energy: -0.659
local terms energy: -470.476966
where:
bonds (distance) C4'-P energy: -86.445
bonds (distance) P-C4' energy: -70.269
flat angles C4'-P-C4' energy: -104.688
flat angles P-C4'-P energy: -77.218
tors. eta vs tors. theta energy: -131.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1523.827846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.827846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.827846 (E_RNA)
where:
Base-Base interactions energy: -1079.992
where: short stacking energy: -464.585
Base-Backbone interact. energy: -0.974
local terms energy: -442.861682
where:
bonds (distance) C4'-P energy: -88.779
bonds (distance) P-C4' energy: -71.608
flat angles C4'-P-C4' energy: -100.723
flat angles P-C4'-P energy: -62.518
tors. eta vs tors. theta energy: -119.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1332.449380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.449380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.449380 (E_RNA)
where:
Base-Base interactions energy: -915.929
where: short stacking energy: -376.656
Base-Backbone interact. energy: -1.013
local terms energy: -415.507924
where:
bonds (distance) C4'-P energy: -81.167
bonds (distance) P-C4' energy: -101.014
flat angles C4'-P-C4' energy: -88.491
flat angles P-C4'-P energy: -53.937
tors. eta vs tors. theta energy: -90.899
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: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1297.993646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.993646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.993646 (E_RNA)
where:
Base-Base interactions energy: -907.415
where: short stacking energy: -358.834
Base-Backbone interact. energy: -2.559
local terms energy: -388.019724
where:
bonds (distance) C4'-P energy: -78.744
bonds (distance) P-C4' energy: -78.818
flat angles C4'-P-C4' energy: -93.080
flat angles P-C4'-P energy: -56.809
tors. eta vs tors. theta energy: -80.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1109.595806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.595806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.595806 (E_RNA)
where:
Base-Base interactions energy: -760.608
where: short stacking energy: -309.098
Base-Backbone interact. energy: -0.418
local terms energy: -348.569420
where:
bonds (distance) C4'-P energy: -82.464
bonds (distance) P-C4' energy: -81.144
flat angles C4'-P-C4' energy: -78.589
flat angles P-C4'-P energy: -46.992
tors. eta vs tors. theta energy: -59.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -706.345226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.345226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.345226 (E_RNA)
where:
Base-Base interactions energy: -404.879
where: short stacking energy: -194.761
Base-Backbone interact. energy: -0.485
local terms energy: -300.981410
where:
bonds (distance) C4'-P energy: -79.582
bonds (distance) P-C4' energy: -87.521
flat angles C4'-P-C4' energy: -74.387
flat angles P-C4'-P energy: -36.463
tors. eta vs tors. theta energy: -23.029
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: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1836.168641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.168641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.168641 (E_RNA)
where:
Base-Base interactions energy: -1291.780
where: short stacking energy: -555.029
Base-Backbone interact. energy: -1.642
local terms energy: -542.746543
where:
bonds (distance) C4'-P energy: -103.053
bonds (distance) P-C4' energy: -85.360
flat angles C4'-P-C4' energy: -115.341
flat angles P-C4'-P energy: -78.003
tors. eta vs tors. theta energy: -160.990
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: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1771.829667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.829667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.829667 (E_RNA)
where:
Base-Base interactions energy: -1232.544
where: short stacking energy: -509.107
Base-Backbone interact. energy: -1.974
local terms energy: -537.312126
where:
bonds (distance) C4'-P energy: -106.977
bonds (distance) P-C4' energy: -90.724
flat angles C4'-P-C4' energy: -113.645
flat angles P-C4'-P energy: -81.594
tors. eta vs tors. theta energy: -144.371
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: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1672.983841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.983841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.983841 (E_RNA)
where:
Base-Base interactions energy: -1181.320
where: short stacking energy: -489.385
Base-Backbone interact. energy: -1.895
local terms energy: -489.768799
where:
bonds (distance) C4'-P energy: -91.102
bonds (distance) P-C4' energy: -92.829
flat angles C4'-P-C4' energy: -110.694
flat angles P-C4'-P energy: -62.325
tors. eta vs tors. theta energy: -132.818
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: 82
Temperature: 1.050000
Total energy: -1672.338952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.338952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.338952 (E_RNA)
where:
Base-Base interactions energy: -1196.715
where: short stacking energy: -504.528
Base-Backbone interact. energy: 0.177
local terms energy: -475.801149
where:
bonds (distance) C4'-P energy: -80.484
bonds (distance) P-C4' energy: -80.952
flat angles C4'-P-C4' energy: -105.485
flat angles P-C4'-P energy: -69.084
tors. eta vs tors. theta energy: -139.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1638.828560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.828560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.828560 (E_RNA)
where:
Base-Base interactions energy: -1155.381
where: short stacking energy: -471.780
Base-Backbone interact. energy: 0.431
local terms energy: -483.878635
where:
bonds (distance) C4'-P energy: -84.527
bonds (distance) P-C4' energy: -94.428
flat angles C4'-P-C4' energy: -103.905
flat angles P-C4'-P energy: -69.645
tors. eta vs tors. theta energy: -131.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1527.265365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.265365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.265365 (E_RNA)
where:
Base-Base interactions energy: -1087.613
where: short stacking energy: -458.134
Base-Backbone interact. energy: -1.895
local terms energy: -437.757147
where:
bonds (distance) C4'-P energy: -83.539
bonds (distance) P-C4' energy: -76.955
flat angles C4'-P-C4' energy: -92.123
flat angles P-C4'-P energy: -63.071
tors. eta vs tors. theta energy: -122.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1368.797025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.797025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.797025 (E_RNA)
where:
Base-Base interactions energy: -952.070
where: short stacking energy: -404.690
Base-Backbone interact. energy: 3.522
local terms energy: -420.249389
where:
bonds (distance) C4'-P energy: -87.709
bonds (distance) P-C4' energy: -87.612
flat angles C4'-P-C4' energy: -95.965
flat angles P-C4'-P energy: -53.519
tors. eta vs tors. theta energy: -95.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1260.554233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.554233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.554233 (E_RNA)
where:
Base-Base interactions energy: -875.953
where: short stacking energy: -349.932
Base-Backbone interact. energy: -0.881
local terms energy: -383.720184
where:
bonds (distance) C4'-P energy: -61.026
bonds (distance) P-C4' energy: -87.835
flat angles C4'-P-C4' energy: -83.110
flat angles P-C4'-P energy: -60.178
tors. eta vs tors. theta energy: -91.571
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: 4
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1125.886251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.886251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.886251 (E_RNA)
where:
Base-Base interactions energy: -750.331
where: short stacking energy: -333.077
Base-Backbone interact. energy: -1.232
local terms energy: -374.323748
where:
bonds (distance) C4'-P energy: -84.383
bonds (distance) P-C4' energy: -68.430
flat angles C4'-P-C4' energy: -99.001
flat angles P-C4'-P energy: -31.660
tors. eta vs tors. theta energy: -90.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -633.666643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.666643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.666643 (E_RNA)
where:
Base-Base interactions energy: -357.494
where: short stacking energy: -176.327
Base-Backbone interact. energy: 6.349
local terms energy: -282.521358
where:
bonds (distance) C4'-P energy: -89.657
bonds (distance) P-C4' energy: -73.476
flat angles C4'-P-C4' energy: -64.170
flat angles P-C4'-P energy: -41.618
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1815.910639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.910639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.910639 (E_RNA)
where:
Base-Base interactions energy: -1283.734
where: short stacking energy: -551.075
Base-Backbone interact. energy: -0.622
local terms energy: -531.555199
where:
bonds (distance) C4'-P energy: -83.878
bonds (distance) P-C4' energy: -89.535
flat angles C4'-P-C4' energy: -113.377
flat angles P-C4'-P energy: -83.462
tors. eta vs tors. theta energy: -161.303
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: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1782.168991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.168991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.168991 (E_RNA)
where:
Base-Base interactions energy: -1252.658
where: short stacking energy: -514.014
Base-Backbone interact. energy: -1.108
local terms energy: -528.403133
where:
bonds (distance) C4'-P energy: -97.385
bonds (distance) P-C4' energy: -103.814
flat angles C4'-P-C4' energy: -109.597
flat angles P-C4'-P energy: -75.696
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: 3, replica: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1697.842200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.842200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.842200 (E_RNA)
where:
Base-Base interactions energy: -1200.872
where: short stacking energy: -491.128
Base-Backbone interact. energy: -2.640
local terms energy: -494.329653
where:
bonds (distance) C4'-P energy: -89.149
bonds (distance) P-C4' energy: -81.693
flat angles C4'-P-C4' energy: -101.989
flat angles P-C4'-P energy: -86.041
tors. eta vs tors. theta energy: -135.458
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: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1688.900224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.900224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.900224 (E_RNA)
where:
Base-Base interactions energy: -1185.741
where: short stacking energy: -494.108
Base-Backbone interact. energy: -1.919
local terms energy: -501.240662
where:
bonds (distance) C4'-P energy: -83.203
bonds (distance) P-C4' energy: -97.553
flat angles C4'-P-C4' energy: -112.481
flat angles P-C4'-P energy: -68.812
tors. eta vs tors. theta energy: -139.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1624.398161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.398161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.398161 (E_RNA)
where:
Base-Base interactions energy: -1146.562
where: short stacking energy: -480.177
Base-Backbone interact. energy: 0.102
local terms energy: -477.937768
where:
bonds (distance) C4'-P energy: -84.890
bonds (distance) P-C4' energy: -104.849
flat angles C4'-P-C4' energy: -93.605
flat angles P-C4'-P energy: -61.068
tors. eta vs tors. theta energy: -133.526
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: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1391.571130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.571130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.571130 (E_RNA)
where:
Base-Base interactions energy: -970.172
where: short stacking energy: -400.143
Base-Backbone interact. energy: -1.228
local terms energy: -420.170697
where:
bonds (distance) C4'-P energy: -80.693
bonds (distance) P-C4' energy: -77.001
flat angles C4'-P-C4' energy: -105.147
flat angles P-C4'-P energy: -54.222
tors. eta vs tors. theta energy: -103.107
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: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1427.312496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.312496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.312496 (E_RNA)
where:
Base-Base interactions energy: -1003.043
where: short stacking energy: -402.670
Base-Backbone interact. energy: -1.597
local terms energy: -422.673063
where:
bonds (distance) C4'-P energy: -80.057
bonds (distance) P-C4' energy: -79.465
flat angles C4'-P-C4' energy: -90.829
flat angles P-C4'-P energy: -60.645
tors. eta vs tors. theta energy: -111.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1262.632979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.632979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.632979 (E_RNA)
where:
Base-Base interactions energy: -875.306
where: short stacking energy: -355.282
Base-Backbone interact. energy: -2.186
local terms energy: -385.140536
where:
bonds (distance) C4'-P energy: -86.622
bonds (distance) P-C4' energy: -70.094
flat angles C4'-P-C4' energy: -79.252
flat angles P-C4'-P energy: -66.515
tors. eta vs tors. theta energy: -82.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1119.681802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.681802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.681802 (E_RNA)
where:
Base-Base interactions energy: -770.535
where: short stacking energy: -321.372
Base-Backbone interact. energy: -0.314
local terms energy: -348.832529
where:
bonds (distance) C4'-P energy: -70.425
bonds (distance) P-C4' energy: -84.300
flat angles C4'-P-C4' energy: -85.730
flat angles P-C4'-P energy: -44.172
tors. eta vs tors. theta energy: -64.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -645.114050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.114050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.114050 (E_RNA)
where:
Base-Base interactions energy: -339.333
where: short stacking energy: -169.343
Base-Backbone interact. energy: -2.622
local terms energy: -303.158728
where:
bonds (distance) C4'-P energy: -76.072
bonds (distance) P-C4' energy: -88.090
flat angles C4'-P-C4' energy: -80.436
flat angles P-C4'-P energy: -55.144
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1826.606535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.606535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.606535 (E_RNA)
where:
Base-Base interactions energy: -1284.789
where: short stacking energy: -543.491
Base-Backbone interact. energy: -2.247
local terms energy: -539.570469
where:
bonds (distance) C4'-P energy: -91.379
bonds (distance) P-C4' energy: -99.686
flat angles C4'-P-C4' energy: -113.820
flat angles P-C4'-P energy: -84.898
tors. eta vs tors. theta energy: -149.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1789.495060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.495060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.495060 (E_RNA)
where:
Base-Base interactions energy: -1252.340
where: short stacking energy: -530.020
Base-Backbone interact. energy: -1.376
local terms energy: -535.779202
where:
bonds (distance) C4'-P energy: -95.243
bonds (distance) P-C4' energy: -99.617
flat angles C4'-P-C4' energy: -108.459
flat angles P-C4'-P energy: -75.049
tors. eta vs tors. theta energy: -157.412
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: 6
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1703.416187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.416187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.416187 (E_RNA)
where:
Base-Base interactions energy: -1201.946
where: short stacking energy: -484.859
Base-Backbone interact. energy: -2.986
local terms energy: -498.484195
where:
bonds (distance) C4'-P energy: -87.817
bonds (distance) P-C4' energy: -89.312
flat angles C4'-P-C4' energy: -104.431
flat angles P-C4'-P energy: -78.133
tors. eta vs tors. theta energy: -138.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1664.471593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.471593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.471593 (E_RNA)
where:
Base-Base interactions energy: -1178.573
where: short stacking energy: -505.197
Base-Backbone interact. energy: -0.552
local terms energy: -485.346875
where:
bonds (distance) C4'-P energy: -99.424
bonds (distance) P-C4' energy: -92.568
flat angles C4'-P-C4' energy: -95.730
flat angles P-C4'-P energy: -62.604
tors. eta vs tors. theta energy: -135.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1656.475372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.475372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.475372 (E_RNA)
where:
Base-Base interactions energy: -1176.312
where: short stacking energy: -500.040
Base-Backbone interact. energy: -0.026
local terms energy: -480.136955
where:
bonds (distance) C4'-P energy: -79.061
bonds (distance) P-C4' energy: -88.989
flat angles C4'-P-C4' energy: -96.795
flat angles P-C4'-P energy: -75.791
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: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1430.722661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.722661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.722661 (E_RNA)
where:
Base-Base interactions energy: -1007.294
where: short stacking energy: -424.814
Base-Backbone interact. energy: -1.164
local terms energy: -422.265336
where:
bonds (distance) C4'-P energy: -82.489
bonds (distance) P-C4' energy: -87.346
flat angles C4'-P-C4' energy: -96.457
flat angles P-C4'-P energy: -50.017
tors. eta vs tors. theta energy: -105.955
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: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1456.453277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.453277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.453277 (E_RNA)
where:
Base-Base interactions energy: -1014.625
where: short stacking energy: -422.893
Base-Backbone interact. energy: -2.029
local terms energy: -439.799572
where:
bonds (distance) C4'-P energy: -90.571
bonds (distance) P-C4' energy: -87.406
flat angles C4'-P-C4' energy: -92.434
flat angles P-C4'-P energy: -71.134
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: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1293.753321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.753321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.753321 (E_RNA)
where:
Base-Base interactions energy: -891.169
where: short stacking energy: -366.860
Base-Backbone interact. energy: -1.346
local terms energy: -401.237940
where:
bonds (distance) C4'-P energy: -77.057
bonds (distance) P-C4' energy: -95.947
flat angles C4'-P-C4' energy: -81.179
flat angles P-C4'-P energy: -58.094
tors. eta vs tors. theta energy: -88.962
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: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1101.481322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.481322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.481322 (E_RNA)
where:
Base-Base interactions energy: -745.144
where: short stacking energy: -308.467
Base-Backbone interact. energy: -1.694
local terms energy: -354.642849
where:
bonds (distance) C4'-P energy: -62.576
bonds (distance) P-C4' energy: -82.091
flat angles C4'-P-C4' energy: -87.752
flat angles P-C4'-P energy: -56.990
tors. eta vs tors. theta energy: -65.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -669.814523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.814523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.814523 (E_RNA)
where:
Base-Base interactions energy: -403.644
where: short stacking energy: -208.053
Base-Backbone interact. energy: -1.380
local terms energy: -264.790355
where:
bonds (distance) C4'-P energy: -81.517
bonds (distance) P-C4' energy: -63.568
flat angles C4'-P-C4' energy: -54.603
flat angles P-C4'-P energy: -43.868
tors. eta vs tors. theta energy: -21.235
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: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1837.906665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.906665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.906665 (E_RNA)
where:
Base-Base interactions energy: -1287.371
where: short stacking energy: -550.305
Base-Backbone interact. energy: -3.883
local terms energy: -546.652766
where:
bonds (distance) C4'-P energy: -105.442
bonds (distance) P-C4' energy: -96.657
flat angles C4'-P-C4' energy: -108.447
flat angles P-C4'-P energy: -80.034
tors. eta vs tors. theta energy: -156.074
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: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1785.464916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.464916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.464916 (E_RNA)
where:
Base-Base interactions energy: -1234.610
where: short stacking energy: -514.541
Base-Backbone interact. energy: -1.560
local terms energy: -549.295411
where:
bonds (distance) C4'-P energy: -110.306
bonds (distance) P-C4' energy: -90.605
flat angles C4'-P-C4' energy: -117.267
flat angles P-C4'-P energy: -73.794
tors. eta vs tors. theta energy: -157.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1709.934688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.934688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.934688 (E_RNA)
where:
Base-Base interactions energy: -1202.855
where: short stacking energy: -492.058
Base-Backbone interact. energy: -2.801
local terms energy: -504.278280
where:
bonds (distance) C4'-P energy: -95.902
bonds (distance) P-C4' energy: -81.120
flat angles C4'-P-C4' energy: -113.466
flat angles P-C4'-P energy: -80.409
tors. eta vs tors. theta energy: -133.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1668.405269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.405269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.405269 (E_RNA)
where:
Base-Base interactions energy: -1161.047
where: short stacking energy: -490.046
Base-Backbone interact. energy: -1.819
local terms energy: -505.539156
where:
bonds (distance) C4'-P energy: -93.945
bonds (distance) P-C4' energy: -92.726
flat angles C4'-P-C4' energy: -108.600
flat angles P-C4'-P energy: -79.419
tors. eta vs tors. theta energy: -130.849
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: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1554.209330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.209330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.209330 (E_RNA)
where:
Base-Base interactions energy: -1091.129
where: short stacking energy: -452.995
Base-Backbone interact. energy: 1.735
local terms energy: -464.815654
where:
bonds (distance) C4'-P energy: -95.194
bonds (distance) P-C4' energy: -87.967
flat angles C4'-P-C4' energy: -99.165
flat angles P-C4'-P energy: -59.083
tors. eta vs tors. theta energy: -123.408
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: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1485.402159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.402159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.402159 (E_RNA)
where:
Base-Base interactions energy: -1048.247
where: short stacking energy: -418.297
Base-Backbone interact. energy: 1.153
local terms energy: -438.308171
where:
bonds (distance) C4'-P energy: -87.774
bonds (distance) P-C4' energy: -78.649
flat angles C4'-P-C4' energy: -106.677
flat angles P-C4'-P energy: -50.597
tors. eta vs tors. theta energy: -114.611
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: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1365.138971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.138971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.138971 (E_RNA)
where:
Base-Base interactions energy: -933.544
where: short stacking energy: -376.668
Base-Backbone interact. energy: -1.633
local terms energy: -429.962527
where:
bonds (distance) C4'-P energy: -87.083
bonds (distance) P-C4' energy: -83.422
flat angles C4'-P-C4' energy: -97.461
flat angles P-C4'-P energy: -60.983
tors. eta vs tors. theta energy: -101.014
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: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1240.159449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.159449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.159449 (E_RNA)
where:
Base-Base interactions energy: -861.600
where: short stacking energy: -350.457
Base-Backbone interact. energy: 0.703
local terms energy: -379.262535
where:
bonds (distance) C4'-P energy: -83.395
bonds (distance) P-C4' energy: -68.157
flat angles C4'-P-C4' energy: -87.965
flat angles P-C4'-P energy: -61.827
tors. eta vs tors. theta energy: -77.919
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: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1146.718161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.718161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.718161 (E_RNA)
where:
Base-Base interactions energy: -766.360
where: short stacking energy: -314.378
Base-Backbone interact. energy: -2.393
local terms energy: -377.965427
where:
bonds (distance) C4'-P energy: -77.697
bonds (distance) P-C4' energy: -93.446
flat angles C4'-P-C4' energy: -81.966
flat angles P-C4'-P energy: -50.962
tors. eta vs tors. theta energy: -73.894
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: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -666.393866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.393866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.393866 (E_RNA)
where:
Base-Base interactions energy: -384.957
where: short stacking energy: -207.815
Base-Backbone interact. energy: 1.237
local terms energy: -282.673442
where:
bonds (distance) C4'-P energy: -82.587
bonds (distance) P-C4' energy: -77.354
flat angles C4'-P-C4' energy: -69.747
flat angles P-C4'-P energy: -38.339
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1825.568989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.568989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.568989 (E_RNA)
where:
Base-Base interactions energy: -1288.665
where: short stacking energy: -543.564
Base-Backbone interact. energy: -1.316
local terms energy: -535.588113
where:
bonds (distance) C4'-P energy: -88.582
bonds (distance) P-C4' energy: -100.044
flat angles C4'-P-C4' energy: -108.577
flat angles P-C4'-P energy: -83.952
tors. eta vs tors. theta energy: -154.433
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: 86
Temperature: 0.950000
Total energy: -1778.294540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.294540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.294540 (E_RNA)
where:
Base-Base interactions energy: -1250.724
where: short stacking energy: -545.879
Base-Backbone interact. energy: -0.652
local terms energy: -526.918504
where:
bonds (distance) C4'-P energy: -79.355
bonds (distance) P-C4' energy: -97.860
flat angles C4'-P-C4' energy: -103.322
flat angles P-C4'-P energy: -84.819
tors. eta vs tors. theta energy: -161.562
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: 3, replica: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1722.168369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.168369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.168369 (E_RNA)
where:
Base-Base interactions energy: -1217.110
where: short stacking energy: -498.331
Base-Backbone interact. energy: -0.003
local terms energy: -505.055223
where:
bonds (distance) C4'-P energy: -96.735
bonds (distance) P-C4' energy: -90.706
flat angles C4'-P-C4' energy: -103.644
flat angles P-C4'-P energy: -78.625
tors. eta vs tors. theta energy: -135.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1675.103521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.103521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.103521 (E_RNA)
where:
Base-Base interactions energy: -1187.119
where: short stacking energy: -477.761
Base-Backbone interact. energy: -2.913
local terms energy: -485.071654
where:
bonds (distance) C4'-P energy: -86.141
bonds (distance) P-C4' energy: -76.255
flat angles C4'-P-C4' energy: -111.924
flat angles P-C4'-P energy: -69.410
tors. eta vs tors. theta energy: -141.342
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: 86
Temperature: 1.100000
Total energy: -1518.319138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.319138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.319138 (E_RNA)
where:
Base-Base interactions energy: -1047.027
where: short stacking energy: -433.295
Base-Backbone interact. energy: 2.466
local terms energy: -473.759079
where:
bonds (distance) C4'-P energy: -80.446
bonds (distance) P-C4' energy: -108.237
flat angles C4'-P-C4' energy: -94.687
flat angles P-C4'-P energy: -70.612
tors. eta vs tors. theta energy: -119.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1459.329071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.329071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.329071 (E_RNA)
where:
Base-Base interactions energy: -1033.811
where: short stacking energy: -425.160
Base-Backbone interact. energy: -1.335
local terms energy: -424.182646
where:
bonds (distance) C4'-P energy: -70.325
bonds (distance) P-C4' energy: -88.090
flat angles C4'-P-C4' energy: -97.495
flat angles P-C4'-P energy: -49.700
tors. eta vs tors. theta energy: -118.573
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: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1390.351260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.351260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.351260 (E_RNA)
where:
Base-Base interactions energy: -947.461
where: short stacking energy: -407.089
Base-Backbone interact. energy: -3.477
local terms energy: -439.413873
where:
bonds (distance) C4'-P energy: -86.662
bonds (distance) P-C4' energy: -89.377
flat angles C4'-P-C4' energy: -97.001
flat angles P-C4'-P energy: -62.789
tors. eta vs tors. theta energy: -103.584
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: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1267.387928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.387928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.387928 (E_RNA)
where:
Base-Base interactions energy: -882.093
where: short stacking energy: -378.375
Base-Backbone interact. energy: -0.204
local terms energy: -385.090865
where:
bonds (distance) C4'-P energy: -69.150
bonds (distance) P-C4' energy: -61.976
flat angles C4'-P-C4' energy: -88.322
flat angles P-C4'-P energy: -67.851
tors. eta vs tors. theta energy: -97.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1178.467724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.467724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.467724 (E_RNA)
where:
Base-Base interactions energy: -786.636
where: short stacking energy: -302.863
Base-Backbone interact. energy: -1.123
local terms energy: -390.708590
where:
bonds (distance) C4'-P energy: -77.612
bonds (distance) P-C4' energy: -84.560
flat angles C4'-P-C4' energy: -83.224
flat angles P-C4'-P energy: -56.199
tors. eta vs tors. theta energy: -89.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -669.801674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.801674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.801674 (E_RNA)
where:
Base-Base interactions energy: -379.790
where: short stacking energy: -177.196
Base-Backbone interact. energy: -0.582
local terms energy: -289.429830
where:
bonds (distance) C4'-P energy: -79.415
bonds (distance) P-C4' energy: -79.242
flat angles C4'-P-C4' energy: -58.334
flat angles P-C4'-P energy: -57.048
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1822.407524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.407524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.407524 (E_RNA)
where:
Base-Base interactions energy: -1274.001
where: short stacking energy: -538.064
Base-Backbone interact. energy: -2.553
local terms energy: -545.853723
where:
bonds (distance) C4'-P energy: -97.159
bonds (distance) P-C4' energy: -103.029
flat angles C4'-P-C4' energy: -116.014
flat angles P-C4'-P energy: -81.015
tors. eta vs tors. theta energy: -148.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1770.188105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.188105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.188105 (E_RNA)
where:
Base-Base interactions energy: -1242.296
where: short stacking energy: -535.801
Base-Backbone interact. energy: -1.706
local terms energy: -526.186493
where:
bonds (distance) C4'-P energy: -98.746
bonds (distance) P-C4' energy: -98.991
flat angles C4'-P-C4' energy: -108.021
flat angles P-C4'-P energy: -66.573
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: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1715.725527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.725527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.725527 (E_RNA)
where:
Base-Base interactions energy: -1206.210
where: short stacking energy: -499.324
Base-Backbone interact. energy: -2.454
local terms energy: -507.061554
where:
bonds (distance) C4'-P energy: -91.246
bonds (distance) P-C4' energy: -92.379
flat angles C4'-P-C4' energy: -110.340
flat angles P-C4'-P energy: -81.788
tors. eta vs tors. theta energy: -131.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1665.642475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.642475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.642475 (E_RNA)
where:
Base-Base interactions energy: -1159.483
where: short stacking energy: -480.250
Base-Backbone interact. energy: -0.031
local terms energy: -506.128282
where:
bonds (distance) C4'-P energy: -101.153
bonds (distance) P-C4' energy: -90.701
flat angles C4'-P-C4' energy: -104.247
flat angles P-C4'-P energy: -75.608
tors. eta vs tors. theta energy: -134.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1571.269085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.269085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.269085 (E_RNA)
where:
Base-Base interactions energy: -1113.322
where: short stacking energy: -467.701
Base-Backbone interact. energy: -0.541
local terms energy: -457.405436
where:
bonds (distance) C4'-P energy: -79.334
bonds (distance) P-C4' energy: -74.386
flat angles C4'-P-C4' energy: -104.701
flat angles P-C4'-P energy: -61.531
tors. eta vs tors. theta energy: -137.454
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: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1444.199978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.199978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.199978 (E_RNA)
where:
Base-Base interactions energy: -1016.353
where: short stacking energy: -425.050
Base-Backbone interact. energy: -3.380
local terms energy: -424.467536
where:
bonds (distance) C4'-P energy: -79.391
bonds (distance) P-C4' energy: -82.324
flat angles C4'-P-C4' energy: -103.042
flat angles P-C4'-P energy: -55.532
tors. eta vs tors. theta energy: -104.179
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: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1372.734242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.734242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.734242 (E_RNA)
where:
Base-Base interactions energy: -948.701
where: short stacking energy: -400.401
Base-Backbone interact. energy: -2.356
local terms energy: -421.677590
where:
bonds (distance) C4'-P energy: -87.799
bonds (distance) P-C4' energy: -83.828
flat angles C4'-P-C4' energy: -83.649
flat angles P-C4'-P energy: -60.966
tors. eta vs tors. theta energy: -105.436
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: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1267.422757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.422757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.422757 (E_RNA)
where:
Base-Base interactions energy: -856.925
where: short stacking energy: -363.202
Base-Backbone interact. energy: -0.890
local terms energy: -409.607931
where:
bonds (distance) C4'-P energy: -89.695
bonds (distance) P-C4' energy: -72.024
flat angles C4'-P-C4' energy: -91.961
flat angles P-C4'-P energy: -59.193
tors. eta vs tors. theta energy: -96.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1174.181887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.181887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.181887 (E_RNA)
where:
Base-Base interactions energy: -800.999
where: short stacking energy: -334.371
Base-Backbone interact. energy: -1.090
local terms energy: -372.092588
where:
bonds (distance) C4'-P energy: -74.759
bonds (distance) P-C4' energy: -85.118
flat angles C4'-P-C4' energy: -76.615
flat angles P-C4'-P energy: -54.146
tors. eta vs tors. theta energy: -81.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -661.447355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.447355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.447355 (E_RNA)
where:
Base-Base interactions energy: -367.354
where: short stacking energy: -199.890
Base-Backbone interact. energy: 1.537
local terms energy: -295.630367
where:
bonds (distance) C4'-P energy: -79.449
bonds (distance) P-C4' energy: -79.902
flat angles C4'-P-C4' energy: -72.307
flat angles P-C4'-P energy: -39.553
tors. eta vs tors. theta energy: -24.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1829.488784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.488784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.488784 (E_RNA)
where:
Base-Base interactions energy: -1280.383
where: short stacking energy: -543.305
Base-Backbone interact. energy: -1.295
local terms energy: -547.810496
where:
bonds (distance) C4'-P energy: -100.641
bonds (distance) P-C4' energy: -103.220
flat angles C4'-P-C4' energy: -114.840
flat angles P-C4'-P energy: -76.944
tors. eta vs tors. theta energy: -152.165
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: 88
Temperature: 0.950000
Total energy: -1800.625020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.625020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.625020 (E_RNA)
where:
Base-Base interactions energy: -1241.598
where: short stacking energy: -539.889
Base-Backbone interact. energy: -1.905
local terms energy: -557.122136
where:
bonds (distance) C4'-P energy: -94.662
bonds (distance) P-C4' energy: -99.355
flat angles C4'-P-C4' energy: -112.839
flat angles P-C4'-P energy: -86.894
tors. eta vs tors. theta energy: -163.372
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: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1722.648717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.648717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.648717 (E_RNA)
where:
Base-Base interactions energy: -1216.842
where: short stacking energy: -511.563
Base-Backbone interact. energy: 2.193
local terms energy: -507.999382
where:
bonds (distance) C4'-P energy: -93.483
bonds (distance) P-C4' energy: -92.207
flat angles C4'-P-C4' energy: -106.880
flat angles P-C4'-P energy: -69.480
tors. eta vs tors. theta energy: -145.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1686.253211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.253211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.253211 (E_RNA)
where:
Base-Base interactions energy: -1205.631
where: short stacking energy: -498.398
Base-Backbone interact. energy: 0.824
local terms energy: -481.445430
where:
bonds (distance) C4'-P energy: -80.360
bonds (distance) P-C4' energy: -96.209
flat angles C4'-P-C4' energy: -94.507
flat angles P-C4'-P energy: -68.962
tors. eta vs tors. theta energy: -141.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1493.356764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.356764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.356764 (E_RNA)
where:
Base-Base interactions energy: -1054.445
where: short stacking energy: -426.530
Base-Backbone interact. energy: -2.696
local terms energy: -436.215760
where:
bonds (distance) C4'-P energy: -87.405
bonds (distance) P-C4' energy: -82.400
flat angles C4'-P-C4' energy: -94.621
flat angles P-C4'-P energy: -62.115
tors. eta vs tors. theta energy: -109.674
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: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1533.863216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.863216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.863216 (E_RNA)
where:
Base-Base interactions energy: -1063.552
where: short stacking energy: -446.076
Base-Backbone interact. energy: -1.244
local terms energy: -469.066554
where:
bonds (distance) C4'-P energy: -88.968
bonds (distance) P-C4' energy: -93.341
flat angles C4'-P-C4' energy: -97.524
flat angles P-C4'-P energy: -76.863
tors. eta vs tors. theta energy: -112.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1382.214287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.214287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.214287 (E_RNA)
where:
Base-Base interactions energy: -967.694
where: short stacking energy: -379.589
Base-Backbone interact. energy: 0.282
local terms energy: -414.801592
where:
bonds (distance) C4'-P energy: -72.624
bonds (distance) P-C4' energy: -87.901
flat angles C4'-P-C4' energy: -86.998
flat angles P-C4'-P energy: -67.990
tors. eta vs tors. theta energy: -99.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1310.210812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.210812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.210812 (E_RNA)
where:
Base-Base interactions energy: -914.099
where: short stacking energy: -371.111
Base-Backbone interact. energy: -0.193
local terms energy: -395.918512
where:
bonds (distance) C4'-P energy: -85.751
bonds (distance) P-C4' energy: -75.572
flat angles C4'-P-C4' energy: -85.361
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -102.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1142.109435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.109435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.109435 (E_RNA)
where:
Base-Base interactions energy: -793.580
where: short stacking energy: -325.745
Base-Backbone interact. energy: -1.628
local terms energy: -346.901255
where:
bonds (distance) C4'-P energy: -73.082
bonds (distance) P-C4' energy: -62.405
flat angles C4'-P-C4' energy: -91.975
flat angles P-C4'-P energy: -55.575
tors. eta vs tors. theta energy: -63.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -683.893326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.893326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.893326 (E_RNA)
where:
Base-Base interactions energy: -404.013
where: short stacking energy: -179.323
Base-Backbone interact. energy: -0.147
local terms energy: -279.733985
where:
bonds (distance) C4'-P energy: -68.677
bonds (distance) P-C4' energy: -81.874
flat angles C4'-P-C4' energy: -72.184
flat angles P-C4'-P energy: -55.371
tors. eta vs tors. theta energy: -1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1827.889704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.889704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.889704 (E_RNA)
where:
Base-Base interactions energy: -1288.554
where: short stacking energy: -552.938
Base-Backbone interact. energy: -1.527
local terms energy: -537.809026
where:
bonds (distance) C4'-P energy: -95.636
bonds (distance) P-C4' energy: -104.258
flat angles C4'-P-C4' energy: -110.809
flat angles P-C4'-P energy: -75.333
tors. eta vs tors. theta energy: -151.773
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: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1779.444533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.444533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.444533 (E_RNA)
where:
Base-Base interactions energy: -1260.194
where: short stacking energy: -539.003
Base-Backbone interact. energy: -1.778
local terms energy: -517.472974
where:
bonds (distance) C4'-P energy: -84.279
bonds (distance) P-C4' energy: -98.187
flat angles C4'-P-C4' energy: -114.523
flat angles P-C4'-P energy: -62.215
tors. eta vs tors. theta energy: -158.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1723.539070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.539070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.539070 (E_RNA)
where:
Base-Base interactions energy: -1213.381
where: short stacking energy: -514.302
Base-Backbone interact. energy: -1.011
local terms energy: -509.147307
where:
bonds (distance) C4'-P energy: -98.339
bonds (distance) P-C4' energy: -104.469
flat angles C4'-P-C4' energy: -93.650
flat angles P-C4'-P energy: -71.468
tors. eta vs tors. theta energy: -141.221
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: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1712.205524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.205524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.205524 (E_RNA)
where:
Base-Base interactions energy: -1203.634
where: short stacking energy: -502.225
Base-Backbone interact. energy: -2.764
local terms energy: -505.807526
where:
bonds (distance) C4'-P energy: -95.545
bonds (distance) P-C4' energy: -86.207
flat angles C4'-P-C4' energy: -112.787
flat angles P-C4'-P energy: -69.561
tors. eta vs tors. theta energy: -141.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1470.231280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.231280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.231280 (E_RNA)
where:
Base-Base interactions energy: -1024.025
where: short stacking energy: -421.145
Base-Backbone interact. energy: -4.339
local terms energy: -441.866768
where:
bonds (distance) C4'-P energy: -87.888
bonds (distance) P-C4' energy: -72.231
flat angles C4'-P-C4' energy: -107.526
flat angles P-C4'-P energy: -60.472
tors. eta vs tors. theta energy: -113.750
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: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1507.074759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.074759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.074759 (E_RNA)
where:
Base-Base interactions energy: -1050.990
where: short stacking energy: -430.127
Base-Backbone interact. energy: 1.265
local terms energy: -457.350419
where:
bonds (distance) C4'-P energy: -77.187
bonds (distance) P-C4' energy: -84.793
flat angles C4'-P-C4' energy: -102.425
flat angles P-C4'-P energy: -73.472
tors. eta vs tors. theta energy: -119.473
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: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1337.723371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.723371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.723371 (E_RNA)
where:
Base-Base interactions energy: -919.503
where: short stacking energy: -405.020
Base-Backbone interact. energy: -2.310
local terms energy: -415.910314
where:
bonds (distance) C4'-P energy: -84.985
bonds (distance) P-C4' energy: -80.542
flat angles C4'-P-C4' energy: -84.101
flat angles P-C4'-P energy: -65.603
tors. eta vs tors. theta energy: -100.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1330.543568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.543568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.543568 (E_RNA)
where:
Base-Base interactions energy: -938.740
where: short stacking energy: -375.476
Base-Backbone interact. energy: 9.291
local terms energy: -401.095214
where:
bonds (distance) C4'-P energy: -68.417
bonds (distance) P-C4' energy: -83.792
flat angles C4'-P-C4' energy: -95.726
flat angles P-C4'-P energy: -51.678
tors. eta vs tors. theta energy: -101.482
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: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1136.242256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.242256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.242256 (E_RNA)
where:
Base-Base interactions energy: -743.319
where: short stacking energy: -313.895
Base-Backbone interact. energy: -0.533
local terms energy: -392.389910
where:
bonds (distance) C4'-P energy: -76.286
bonds (distance) P-C4' energy: -91.172
flat angles C4'-P-C4' energy: -89.007
flat angles P-C4'-P energy: -58.594
tors. eta vs tors. theta energy: -77.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -653.603334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.603334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.603334 (E_RNA)
where:
Base-Base interactions energy: -366.911
where: short stacking energy: -190.925
Base-Backbone interact. energy: -1.126
local terms energy: -285.565972
where:
bonds (distance) C4'-P energy: -78.204
bonds (distance) P-C4' energy: -80.723
flat angles C4'-P-C4' energy: -73.675
flat angles P-C4'-P energy: -49.908
tors. eta vs tors. theta energy: -3.055
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: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1821.393809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.393809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.393809 (E_RNA)
where:
Base-Base interactions energy: -1287.330
where: short stacking energy: -530.706
Base-Backbone interact. energy: -1.045
local terms energy: -533.018899
where:
bonds (distance) C4'-P energy: -102.370
bonds (distance) P-C4' energy: -88.901
flat angles C4'-P-C4' energy: -111.415
flat angles P-C4'-P energy: -79.087
tors. eta vs tors. theta energy: -151.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1779.338900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.338900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.338900 (E_RNA)
where:
Base-Base interactions energy: -1227.138
where: short stacking energy: -518.698
Base-Backbone interact. energy: -0.800
local terms energy: -551.400213
where:
bonds (distance) C4'-P energy: -99.187
bonds (distance) P-C4' energy: -94.638
flat angles C4'-P-C4' energy: -113.170
flat angles P-C4'-P energy: -81.395
tors. eta vs tors. theta energy: -163.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1733.675761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.675761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.675761 (E_RNA)
where:
Base-Base interactions energy: -1224.365
where: short stacking energy: -504.959
Base-Backbone interact. energy: -2.195
local terms energy: -507.115990
where:
bonds (distance) C4'-P energy: -96.387
bonds (distance) P-C4' energy: -96.606
flat angles C4'-P-C4' energy: -104.407
flat angles P-C4'-P energy: -71.951
tors. eta vs tors. theta energy: -137.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1700.672934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.672934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.672934 (E_RNA)
where:
Base-Base interactions energy: -1216.409
where: short stacking energy: -493.896
Base-Backbone interact. energy: -1.489
local terms energy: -482.774483
where:
bonds (distance) C4'-P energy: -87.006
bonds (distance) P-C4' energy: -77.714
flat angles C4'-P-C4' energy: -113.343
flat angles P-C4'-P energy: -63.485
tors. eta vs tors. theta energy: -141.226
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: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1535.583784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.583784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.583784 (E_RNA)
where:
Base-Base interactions energy: -1081.364
where: short stacking energy: -454.511
Base-Backbone interact. energy: -1.852
local terms energy: -452.367904
where:
bonds (distance) C4'-P energy: -67.804
bonds (distance) P-C4' energy: -90.702
flat angles C4'-P-C4' energy: -97.711
flat angles P-C4'-P energy: -71.095
tors. eta vs tors. theta energy: -125.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1422.433804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.433804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.433804 (E_RNA)
where:
Base-Base interactions energy: -977.426
where: short stacking energy: -394.720
Base-Backbone interact. energy: -0.625
local terms energy: -444.383035
where:
bonds (distance) C4'-P energy: -98.631
bonds (distance) P-C4' energy: -80.448
flat angles C4'-P-C4' energy: -95.188
flat angles P-C4'-P energy: -60.173
tors. eta vs tors. theta energy: -109.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1369.130196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.130196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.130196 (E_RNA)
where:
Base-Base interactions energy: -962.181
where: short stacking energy: -397.397
Base-Backbone interact. energy: -1.920
local terms energy: -405.029470
where:
bonds (distance) C4'-P energy: -74.201
bonds (distance) P-C4' energy: -82.136
flat angles C4'-P-C4' energy: -84.044
flat angles P-C4'-P energy: -53.105
tors. eta vs tors. theta energy: -111.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1315.700067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.700067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.700067 (E_RNA)
where:
Base-Base interactions energy: -919.338
where: short stacking energy: -380.926
Base-Backbone interact. energy: -1.742
local terms energy: -394.619577
where:
bonds (distance) C4'-P energy: -64.120
bonds (distance) P-C4' energy: -75.415
flat angles C4'-P-C4' energy: -92.662
flat angles P-C4'-P energy: -67.118
tors. eta vs tors. theta energy: -95.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1108.234889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.234889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.234889 (E_RNA)
where:
Base-Base interactions energy: -759.972
where: short stacking energy: -317.801
Base-Backbone interact. energy: -2.921
local terms energy: -345.341721
where:
bonds (distance) C4'-P energy: -61.495
bonds (distance) P-C4' energy: -86.911
flat angles C4'-P-C4' energy: -77.056
flat angles P-C4'-P energy: -50.081
tors. eta vs tors. theta energy: -69.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -644.011086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.011086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.011086 (E_RNA)
where:
Base-Base interactions energy: -356.256
where: short stacking energy: -175.601
Base-Backbone interact. energy: -1.006
local terms energy: -286.749381
where:
bonds (distance) C4'-P energy: -60.798
bonds (distance) P-C4' energy: -91.385
flat angles C4'-P-C4' energy: -64.760
flat angles P-C4'-P energy: -63.017
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1860.330245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.330245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.330245 (E_RNA)
where:
Base-Base interactions energy: -1316.865
where: short stacking energy: -555.172
Base-Backbone interact. energy: -2.430
local terms energy: -541.035663
where:
bonds (distance) C4'-P energy: -93.917
bonds (distance) P-C4' energy: -107.408
flat angles C4'-P-C4' energy: -106.127
flat angles P-C4'-P energy: -83.821
tors. eta vs tors. theta energy: -149.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1789.822301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.822301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.822301 (E_RNA)
where:
Base-Base interactions energy: -1264.888
where: short stacking energy: -541.762
Base-Backbone interact. energy: -1.462
local terms energy: -523.472434
where:
bonds (distance) C4'-P energy: -88.415
bonds (distance) P-C4' energy: -92.529
flat angles C4'-P-C4' energy: -110.706
flat angles P-C4'-P energy: -72.920
tors. eta vs tors. theta energy: -158.902
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: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1719.593061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.593061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.593061 (E_RNA)
where:
Base-Base interactions energy: -1209.567
where: short stacking energy: -510.100
Base-Backbone interact. energy: -2.360
local terms energy: -507.666146
where:
bonds (distance) C4'-P energy: -89.375
bonds (distance) P-C4' energy: -100.371
flat angles C4'-P-C4' energy: -108.428
flat angles P-C4'-P energy: -70.124
tors. eta vs tors. theta energy: -139.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1698.981545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.981545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.981545 (E_RNA)
where:
Base-Base interactions energy: -1199.537
where: short stacking energy: -485.040
Base-Backbone interact. energy: -1.439
local terms energy: -498.005321
where:
bonds (distance) C4'-P energy: -85.637
bonds (distance) P-C4' energy: -104.081
flat angles C4'-P-C4' energy: -104.450
flat angles P-C4'-P energy: -67.456
tors. eta vs tors. theta energy: -136.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1551.726691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.726691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.726691 (E_RNA)
where:
Base-Base interactions energy: -1061.172
where: short stacking energy: -432.456
Base-Backbone interact. energy: -0.637
local terms energy: -489.918340
where:
bonds (distance) C4'-P energy: -92.047
bonds (distance) P-C4' energy: -93.749
flat angles C4'-P-C4' energy: -96.704
flat angles P-C4'-P energy: -80.049
tors. eta vs tors. theta energy: -127.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1395.410176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.410176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.410176 (E_RNA)
where:
Base-Base interactions energy: -977.859
where: short stacking energy: -411.016
Base-Backbone interact. energy: -0.970
local terms energy: -416.582001
where:
bonds (distance) C4'-P energy: -69.339
bonds (distance) P-C4' energy: -83.502
flat angles C4'-P-C4' energy: -96.937
flat angles P-C4'-P energy: -60.192
tors. eta vs tors. theta energy: -106.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1383.033892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.033892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.033892 (E_RNA)
where:
Base-Base interactions energy: -949.382
where: short stacking energy: -385.543
Base-Backbone interact. energy: -2.904
local terms energy: -430.748044
where:
bonds (distance) C4'-P energy: -84.351
bonds (distance) P-C4' energy: -100.700
flat angles C4'-P-C4' energy: -98.565
flat angles P-C4'-P energy: -48.764
tors. eta vs tors. theta energy: -98.368
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: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1318.906312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.906312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.906312 (E_RNA)
where:
Base-Base interactions energy: -909.600
where: short stacking energy: -390.033
Base-Backbone interact. energy: 0.228
local terms energy: -409.533866
where:
bonds (distance) C4'-P energy: -83.643
bonds (distance) P-C4' energy: -70.864
flat angles C4'-P-C4' energy: -93.134
flat angles P-C4'-P energy: -54.643
tors. eta vs tors. theta energy: -107.250
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: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1104.612397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.612397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.612397 (E_RNA)
where:
Base-Base interactions energy: -739.158
where: short stacking energy: -314.510
Base-Backbone interact. energy: 0.131
local terms energy: -365.584943
where:
bonds (distance) C4'-P energy: -75.357
bonds (distance) P-C4' energy: -87.033
flat angles C4'-P-C4' energy: -77.615
flat angles P-C4'-P energy: -44.060
tors. eta vs tors. theta energy: -81.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -673.121220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.121220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.121220 (E_RNA)
where:
Base-Base interactions energy: -396.042
where: short stacking energy: -182.484
Base-Backbone interact. energy: -2.214
local terms energy: -274.865335
where:
bonds (distance) C4'-P energy: -72.246
bonds (distance) P-C4' energy: -85.532
flat angles C4'-P-C4' energy: -69.257
flat angles P-C4'-P energy: -34.694
tors. eta vs tors. theta energy: -13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1856.303649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.303649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.303649 (E_RNA)
where:
Base-Base interactions energy: -1307.392
where: short stacking energy: -545.875
Base-Backbone interact. energy: -1.304
local terms energy: -547.607922
where:
bonds (distance) C4'-P energy: -100.561
bonds (distance) P-C4' energy: -95.565
flat angles C4'-P-C4' energy: -115.486
flat angles P-C4'-P energy: -86.519
tors. eta vs tors. theta energy: -149.478
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: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1812.590244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.590244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.590244 (E_RNA)
where:
Base-Base interactions energy: -1259.498
where: short stacking energy: -535.812
Base-Backbone interact. energy: -1.242
local terms energy: -551.849870
where:
bonds (distance) C4'-P energy: -92.790
bonds (distance) P-C4' energy: -109.159
flat angles C4'-P-C4' energy: -113.097
flat angles P-C4'-P energy: -80.821
tors. eta vs tors. theta energy: -155.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1734.359778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.359778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.359778 (E_RNA)
where:
Base-Base interactions energy: -1240.474
where: short stacking energy: -493.909
Base-Backbone interact. energy: 0.835
local terms energy: -494.721005
where:
bonds (distance) C4'-P energy: -83.358
bonds (distance) P-C4' energy: -92.450
flat angles C4'-P-C4' energy: -113.878
flat angles P-C4'-P energy: -66.632
tors. eta vs tors. theta energy: -138.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1694.871235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.871235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.871235 (E_RNA)
where:
Base-Base interactions energy: -1215.413
where: short stacking energy: -513.384
Base-Backbone interact. energy: -2.292
local terms energy: -477.166202
where:
bonds (distance) C4'-P energy: -80.383
bonds (distance) P-C4' energy: -85.957
flat angles C4'-P-C4' energy: -99.940
flat angles P-C4'-P energy: -67.180
tors. eta vs tors. theta energy: -143.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1559.350190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.350190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.350190 (E_RNA)
where:
Base-Base interactions energy: -1085.909
where: short stacking energy: -460.955
Base-Backbone interact. energy: -0.931
local terms energy: -472.510425
where:
bonds (distance) C4'-P energy: -84.073
bonds (distance) P-C4' energy: -92.407
flat angles C4'-P-C4' energy: -104.622
flat angles P-C4'-P energy: -64.578
tors. eta vs tors. theta energy: -126.831
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: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1383.192579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.192579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.192579 (E_RNA)
where:
Base-Base interactions energy: -944.864
where: short stacking energy: -397.802
Base-Backbone interact. energy: -2.823
local terms energy: -435.505885
where:
bonds (distance) C4'-P energy: -85.746
bonds (distance) P-C4' energy: -77.622
flat angles C4'-P-C4' energy: -94.458
flat angles P-C4'-P energy: -68.983
tors. eta vs tors. theta energy: -108.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1361.287287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.287287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.287287 (E_RNA)
where:
Base-Base interactions energy: -952.786
where: short stacking energy: -375.661
Base-Backbone interact. energy: 1.903
local terms energy: -410.404209
where:
bonds (distance) C4'-P energy: -77.606
bonds (distance) P-C4' energy: -88.817
flat angles C4'-P-C4' energy: -102.623
flat angles P-C4'-P energy: -51.295
tors. eta vs tors. theta energy: -90.064
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: 92
Temperature: 1.250000
Total energy: -1278.658489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.658489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.658489 (E_RNA)
where:
Base-Base interactions energy: -880.055
where: short stacking energy: -366.205
Base-Backbone interact. energy: 2.028
local terms energy: -400.631263
where:
bonds (distance) C4'-P energy: -85.449
bonds (distance) P-C4' energy: -83.459
flat angles C4'-P-C4' energy: -93.054
flat angles P-C4'-P energy: -50.474
tors. eta vs tors. theta energy: -88.195
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: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1135.465591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.465591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.465591 (E_RNA)
where:
Base-Base interactions energy: -770.722
where: short stacking energy: -318.838
Base-Backbone interact. energy: 1.663
local terms energy: -366.406497
where:
bonds (distance) C4'-P energy: -75.567
bonds (distance) P-C4' energy: -87.555
flat angles C4'-P-C4' energy: -80.048
flat angles P-C4'-P energy: -56.731
tors. eta vs tors. theta energy: -66.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -668.782770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.782770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.782770 (E_RNA)
where:
Base-Base interactions energy: -375.965
where: short stacking energy: -195.254
Base-Backbone interact. energy: 3.721
local terms energy: -296.538198
where:
bonds (distance) C4'-P energy: -72.189
bonds (distance) P-C4' energy: -87.894
flat angles C4'-P-C4' energy: -75.733
flat angles P-C4'-P energy: -49.114
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1860.223120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.223120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.223120 (E_RNA)
where:
Base-Base interactions energy: -1298.506
where: short stacking energy: -539.464
Base-Backbone interact. energy: -1.579
local terms energy: -560.138531
where:
bonds (distance) C4'-P energy: -97.848
bonds (distance) P-C4' energy: -107.641
flat angles C4'-P-C4' energy: -116.138
flat angles P-C4'-P energy: -85.093
tors. eta vs tors. theta energy: -153.418
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: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1787.184102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.184102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.184102 (E_RNA)
where:
Base-Base interactions energy: -1240.907
where: short stacking energy: -547.472
Base-Backbone interact. energy: -1.579
local terms energy: -544.698041
where:
bonds (distance) C4'-P energy: -104.065
bonds (distance) P-C4' energy: -93.579
flat angles C4'-P-C4' energy: -112.388
flat angles P-C4'-P energy: -73.948
tors. eta vs tors. theta energy: -160.718
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: 6
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1727.410212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.410212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.410212 (E_RNA)
where:
Base-Base interactions energy: -1251.517
where: short stacking energy: -516.235
Base-Backbone interact. energy: -3.361
local terms energy: -472.532483
where:
bonds (distance) C4'-P energy: -85.390
bonds (distance) P-C4' energy: -67.959
flat angles C4'-P-C4' energy: -113.837
flat angles P-C4'-P energy: -72.918
tors. eta vs tors. theta energy: -132.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1736.570588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.570588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.570588 (E_RNA)
where:
Base-Base interactions energy: -1248.104
where: short stacking energy: -510.653
Base-Backbone interact. energy: -1.951
local terms energy: -486.515591
where:
bonds (distance) C4'-P energy: -86.165
bonds (distance) P-C4' energy: -88.053
flat angles C4'-P-C4' energy: -111.217
flat angles P-C4'-P energy: -55.607
tors. eta vs tors. theta energy: -145.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1525.635744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.635744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.635744 (E_RNA)
where:
Base-Base interactions energy: -1058.006
where: short stacking energy: -443.850
Base-Backbone interact. energy: 2.133
local terms energy: -469.763147
where:
bonds (distance) C4'-P energy: -89.937
bonds (distance) P-C4' energy: -86.284
flat angles C4'-P-C4' energy: -104.130
flat angles P-C4'-P energy: -69.387
tors. eta vs tors. theta energy: -120.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1399.030582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.030582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.030582 (E_RNA)
where:
Base-Base interactions energy: -967.702
where: short stacking energy: -380.549
Base-Backbone interact. energy: 1.483
local terms energy: -432.811683
where:
bonds (distance) C4'-P energy: -84.664
bonds (distance) P-C4' energy: -89.295
flat angles C4'-P-C4' energy: -95.880
flat angles P-C4'-P energy: -72.604
tors. eta vs tors. theta energy: -90.369
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: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1314.239022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.239022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.239022 (E_RNA)
where:
Base-Base interactions energy: -912.404
where: short stacking energy: -365.497
Base-Backbone interact. energy: 0.578
local terms energy: -402.413099
where:
bonds (distance) C4'-P energy: -84.760
bonds (distance) P-C4' energy: -78.553
flat angles C4'-P-C4' energy: -89.968
flat angles P-C4'-P energy: -64.946
tors. eta vs tors. theta energy: -84.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1232.216153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.216153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.216153 (E_RNA)
where:
Base-Base interactions energy: -846.767
where: short stacking energy: -365.670
Base-Backbone interact. energy: 2.311
local terms energy: -387.759540
where:
bonds (distance) C4'-P energy: -76.744
bonds (distance) P-C4' energy: -84.300
flat angles C4'-P-C4' energy: -78.903
flat angles P-C4'-P energy: -58.539
tors. eta vs tors. theta energy: -89.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1075.062950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.062950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.062950 (E_RNA)
where:
Base-Base interactions energy: -732.809
where: short stacking energy: -309.113
Base-Backbone interact. energy: -1.079
local terms energy: -341.175617
where:
bonds (distance) C4'-P energy: -76.790
bonds (distance) P-C4' energy: -70.301
flat angles C4'-P-C4' energy: -79.139
flat angles P-C4'-P energy: -51.884
tors. eta vs tors. theta energy: -63.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -617.856594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.856594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.856594 (E_RNA)
where:
Base-Base interactions energy: -349.343
where: short stacking energy: -171.871
Base-Backbone interact. energy: 1.934
local terms energy: -270.447373
where:
bonds (distance) C4'-P energy: -75.498
bonds (distance) P-C4' energy: -85.606
flat angles C4'-P-C4' energy: -79.495
flat angles P-C4'-P energy: -29.623
tors. eta vs tors. theta energy: -0.225
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: 94
Temperature: 0.900000
Total energy: -1845.336198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.336198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.336198 (E_RNA)
where:
Base-Base interactions energy: -1296.966
where: short stacking energy: -534.562
Base-Backbone interact. energy: -0.553
local terms energy: -547.817231
where:
bonds (distance) C4'-P energy: -103.032
bonds (distance) P-C4' energy: -94.218
flat angles C4'-P-C4' energy: -107.099
flat angles P-C4'-P energy: -86.711
tors. eta vs tors. theta energy: -156.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1815.906388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.906388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.906388 (E_RNA)
where:
Base-Base interactions energy: -1284.104
where: short stacking energy: -540.990
Base-Backbone interact. energy: -1.509
local terms energy: -530.292803
where:
bonds (distance) C4'-P energy: -90.315
bonds (distance) P-C4' energy: -85.828
flat angles C4'-P-C4' energy: -113.340
flat angles P-C4'-P energy: -78.023
tors. eta vs tors. theta energy: -162.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1764.563228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.563228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.563228 (E_RNA)
where:
Base-Base interactions energy: -1235.732
where: short stacking energy: -515.157
Base-Backbone interact. energy: -2.573
local terms energy: -526.258416
where:
bonds (distance) C4'-P energy: -89.842
bonds (distance) P-C4' energy: -95.658
flat angles C4'-P-C4' energy: -114.972
flat angles P-C4'-P energy: -76.956
tors. eta vs tors. theta energy: -148.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1689.359147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.359147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.359147 (E_RNA)
where:
Base-Base interactions energy: -1195.986
where: short stacking energy: -502.434
Base-Backbone interact. energy: -0.003
local terms energy: -493.369705
where:
bonds (distance) C4'-P energy: -86.511
bonds (distance) P-C4' energy: -73.926
flat angles C4'-P-C4' energy: -115.432
flat angles P-C4'-P energy: -81.512
tors. eta vs tors. theta energy: -135.990
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: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1583.630910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.630910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.630910 (E_RNA)
where:
Base-Base interactions energy: -1103.547
where: short stacking energy: -468.164
Base-Backbone interact. energy: -3.306
local terms energy: -476.778447
where:
bonds (distance) C4'-P energy: -83.989
bonds (distance) P-C4' energy: -95.481
flat angles C4'-P-C4' energy: -101.233
flat angles P-C4'-P energy: -65.537
tors. eta vs tors. theta energy: -130.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1432.566387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.566387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.566387 (E_RNA)
where:
Base-Base interactions energy: -985.918
where: short stacking energy: -407.029
Base-Backbone interact. energy: -1.340
local terms energy: -445.308542
where:
bonds (distance) C4'-P energy: -91.525
bonds (distance) P-C4' energy: -80.104
flat angles C4'-P-C4' energy: -103.255
flat angles P-C4'-P energy: -64.217
tors. eta vs tors. theta energy: -106.208
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: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1358.137350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.137350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.137350 (E_RNA)
where:
Base-Base interactions energy: -919.897
where: short stacking energy: -392.205
Base-Backbone interact. energy: -0.861
local terms energy: -437.378865
where:
bonds (distance) C4'-P energy: -80.289
bonds (distance) P-C4' energy: -101.448
flat angles C4'-P-C4' energy: -91.795
flat angles P-C4'-P energy: -62.345
tors. eta vs tors. theta energy: -101.503
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: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1252.514052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.514052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.514052 (E_RNA)
where:
Base-Base interactions energy: -864.660
where: short stacking energy: -355.114
Base-Backbone interact. energy: -1.015
local terms energy: -386.839773
where:
bonds (distance) C4'-P energy: -65.445
bonds (distance) P-C4' energy: -84.807
flat angles C4'-P-C4' energy: -94.430
flat angles P-C4'-P energy: -44.377
tors. eta vs tors. theta energy: -97.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1072.729742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.729742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.729742 (E_RNA)
where:
Base-Base interactions energy: -727.475
where: short stacking energy: -328.761
Base-Backbone interact. energy: -0.655
local terms energy: -344.599175
where:
bonds (distance) C4'-P energy: -76.752
bonds (distance) P-C4' energy: -73.103
flat angles C4'-P-C4' energy: -81.708
flat angles P-C4'-P energy: -56.297
tors. eta vs tors. theta energy: -56.739
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: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -630.287108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.287108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.287108 (E_RNA)
where:
Base-Base interactions energy: -347.314
where: short stacking energy: -186.970
Base-Backbone interact. energy: -1.559
local terms energy: -281.413940
where:
bonds (distance) C4'-P energy: -73.955
bonds (distance) P-C4' energy: -85.261
flat angles C4'-P-C4' energy: -74.734
flat angles P-C4'-P energy: -32.464
tors. eta vs tors. theta energy: -15.000
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: 95
Temperature: 0.900000
Total energy: -1824.554307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.554307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.554307 (E_RNA)
where:
Base-Base interactions energy: -1280.943
where: short stacking energy: -544.727
Base-Backbone interact. energy: -0.071
local terms energy: -543.540076
where:
bonds (distance) C4'-P energy: -91.273
bonds (distance) P-C4' energy: -91.610
flat angles C4'-P-C4' energy: -112.437
flat angles P-C4'-P energy: -82.383
tors. eta vs tors. theta energy: -165.837
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: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1808.461049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.461049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.461049 (E_RNA)
where:
Base-Base interactions energy: -1283.223
where: short stacking energy: -534.325
Base-Backbone interact. energy: 0.252
local terms energy: -525.490485
where:
bonds (distance) C4'-P energy: -97.231
bonds (distance) P-C4' energy: -86.506
flat angles C4'-P-C4' energy: -113.093
flat angles P-C4'-P energy: -80.395
tors. eta vs tors. theta energy: -148.266
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: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1761.765765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.765765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.765765 (E_RNA)
where:
Base-Base interactions energy: -1256.073
where: short stacking energy: -502.982
Base-Backbone interact. energy: -3.228
local terms energy: -502.465149
where:
bonds (distance) C4'-P energy: -90.650
bonds (distance) P-C4' energy: -89.377
flat angles C4'-P-C4' energy: -109.414
flat angles P-C4'-P energy: -64.844
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: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1706.748706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.748706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.748706 (E_RNA)
where:
Base-Base interactions energy: -1206.502
where: short stacking energy: -482.620
Base-Backbone interact. energy: -2.832
local terms energy: -497.415279
where:
bonds (distance) C4'-P energy: -80.488
bonds (distance) P-C4' energy: -96.731
flat angles C4'-P-C4' energy: -99.495
flat angles P-C4'-P energy: -81.451
tors. eta vs tors. theta energy: -139.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1561.475422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.475422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.475422 (E_RNA)
where:
Base-Base interactions energy: -1086.001
where: short stacking energy: -437.039
Base-Backbone interact. energy: -2.920
local terms energy: -472.554697
where:
bonds (distance) C4'-P energy: -83.528
bonds (distance) P-C4' energy: -94.851
flat angles C4'-P-C4' energy: -109.122
flat angles P-C4'-P energy: -65.319
tors. eta vs tors. theta energy: -119.735
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: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1407.879362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.879362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.879362 (E_RNA)
where:
Base-Base interactions energy: -981.041
where: short stacking energy: -399.134
Base-Backbone interact. energy: 0.179
local terms energy: -427.017607
where:
bonds (distance) C4'-P energy: -76.342
bonds (distance) P-C4' energy: -90.425
flat angles C4'-P-C4' energy: -94.856
flat angles P-C4'-P energy: -67.204
tors. eta vs tors. theta energy: -98.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1336.677753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.677753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.677753 (E_RNA)
where:
Base-Base interactions energy: -916.310
where: short stacking energy: -375.251
Base-Backbone interact. energy: 2.862
local terms energy: -423.229814
where:
bonds (distance) C4'-P energy: -84.301
bonds (distance) P-C4' energy: -92.939
flat angles C4'-P-C4' energy: -86.533
flat angles P-C4'-P energy: -61.526
tors. eta vs tors. theta energy: -97.931
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: 95
Temperature: 1.250000
Total energy: -1242.027841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.027841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.027841 (E_RNA)
where:
Base-Base interactions energy: -880.293
where: short stacking energy: -337.792
Base-Backbone interact. energy: -0.990
local terms energy: -360.744999
where:
bonds (distance) C4'-P energy: -69.961
bonds (distance) P-C4' energy: -68.808
flat angles C4'-P-C4' energy: -89.440
flat angles P-C4'-P energy: -52.346
tors. eta vs tors. theta energy: -80.190
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: 9, replica: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1095.628359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.628359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.628359 (E_RNA)
where:
Base-Base interactions energy: -726.907
where: short stacking energy: -322.038
Base-Backbone interact. energy: -2.881
local terms energy: -365.840446
where:
bonds (distance) C4'-P energy: -88.095
bonds (distance) P-C4' energy: -79.993
flat angles C4'-P-C4' energy: -74.933
flat angles P-C4'-P energy: -50.599
tors. eta vs tors. theta energy: -72.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -634.501488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.501488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.501488 (E_RNA)
where:
Base-Base interactions energy: -351.616
where: short stacking energy: -188.659
Base-Backbone interact. energy: -1.574
local terms energy: -281.311176
where:
bonds (distance) C4'-P energy: -79.789
bonds (distance) P-C4' energy: -84.366
flat angles C4'-P-C4' energy: -60.740
flat angles P-C4'-P energy: -31.407
tors. eta vs tors. theta energy: -25.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1871.856353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.856353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.856353 (E_RNA)
where:
Base-Base interactions energy: -1318.299
where: short stacking energy: -575.420
Base-Backbone interact. energy: -0.698
local terms energy: -552.859232
where:
bonds (distance) C4'-P energy: -100.543
bonds (distance) P-C4' energy: -107.107
flat angles C4'-P-C4' energy: -120.517
flat angles P-C4'-P energy: -72.128
tors. eta vs tors. theta energy: -152.565
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: 96
Temperature: 0.950000
Total energy: -1803.645861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.645861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.645861 (E_RNA)
where:
Base-Base interactions energy: -1252.013
where: short stacking energy: -529.379
Base-Backbone interact. energy: 2.637
local terms energy: -554.269921
where:
bonds (distance) C4'-P energy: -103.811
bonds (distance) P-C4' energy: -105.546
flat angles C4'-P-C4' energy: -110.352
flat angles P-C4'-P energy: -79.472
tors. eta vs tors. theta energy: -155.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1766.523570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.523570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.523570 (E_RNA)
where:
Base-Base interactions energy: -1282.546
where: short stacking energy: -520.119
Base-Backbone interact. energy: -1.262
local terms energy: -482.715317
where:
bonds (distance) C4'-P energy: -84.508
bonds (distance) P-C4' energy: -91.879
flat angles C4'-P-C4' energy: -92.684
flat angles P-C4'-P energy: -64.939
tors. eta vs tors. theta energy: -148.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1671.211324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.211324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.211324 (E_RNA)
where:
Base-Base interactions energy: -1177.604
where: short stacking energy: -481.903
Base-Backbone interact. energy: -2.105
local terms energy: -491.502737
where:
bonds (distance) C4'-P energy: -79.952
bonds (distance) P-C4' energy: -94.741
flat angles C4'-P-C4' energy: -105.066
flat angles P-C4'-P energy: -74.989
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: 96
Temperature: 1.100000
Total energy: -1554.339801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.339801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.339801 (E_RNA)
where:
Base-Base interactions energy: -1093.360
where: short stacking energy: -452.197
Base-Backbone interact. energy: -2.807
local terms energy: -458.172154
where:
bonds (distance) C4'-P energy: -79.910
bonds (distance) P-C4' energy: -94.799
flat angles C4'-P-C4' energy: -95.452
flat angles P-C4'-P energy: -66.399
tors. eta vs tors. theta energy: -121.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1398.978572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.978572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.978572 (E_RNA)
where:
Base-Base interactions energy: -1003.142
where: short stacking energy: -411.706
Base-Backbone interact. energy: -2.268
local terms energy: -393.568608
where:
bonds (distance) C4'-P energy: -72.361
bonds (distance) P-C4' energy: -72.374
flat angles C4'-P-C4' energy: -86.939
flat angles P-C4'-P energy: -58.364
tors. eta vs tors. theta energy: -103.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1362.838371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.838371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.838371 (E_RNA)
where:
Base-Base interactions energy: -938.492
where: short stacking energy: -388.948
Base-Backbone interact. energy: -1.887
local terms energy: -422.459451
where:
bonds (distance) C4'-P energy: -91.034
bonds (distance) P-C4' energy: -81.995
flat angles C4'-P-C4' energy: -82.525
flat angles P-C4'-P energy: -65.438
tors. eta vs tors. theta energy: -101.467
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: 96
Temperature: 1.250000
Total energy: -1293.374594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.374594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.374594 (E_RNA)
where:
Base-Base interactions energy: -917.768
where: short stacking energy: -375.798
Base-Backbone interact. energy: -1.815
local terms energy: -373.791544
where:
bonds (distance) C4'-P energy: -72.395
bonds (distance) P-C4' energy: -76.194
flat angles C4'-P-C4' energy: -81.320
flat angles P-C4'-P energy: -53.198
tors. eta vs tors. theta energy: -90.684
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: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1090.890024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.890024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.890024 (E_RNA)
where:
Base-Base interactions energy: -729.951
where: short stacking energy: -297.856
Base-Backbone interact. energy: -2.875
local terms energy: -358.064426
where:
bonds (distance) C4'-P energy: -84.824
bonds (distance) P-C4' energy: -78.753
flat angles C4'-P-C4' energy: -86.712
flat angles P-C4'-P energy: -40.021
tors. eta vs tors. theta energy: -67.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -653.602823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.602823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.602823 (E_RNA)
where:
Base-Base interactions energy: -384.464
where: short stacking energy: -200.571
Base-Backbone interact. energy: 0.803
local terms energy: -269.941374
where:
bonds (distance) C4'-P energy: -70.490
bonds (distance) P-C4' energy: -70.788
flat angles C4'-P-C4' energy: -71.313
flat angles P-C4'-P energy: -47.307
tors. eta vs tors. theta energy: -10.044
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: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1857.142195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.142195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.142195 (E_RNA)
where:
Base-Base interactions energy: -1304.198
where: short stacking energy: -542.977
Base-Backbone interact. energy: -1.197
local terms energy: -551.747082
where:
bonds (distance) C4'-P energy: -94.870
bonds (distance) P-C4' energy: -91.114
flat angles C4'-P-C4' energy: -123.173
flat angles P-C4'-P energy: -82.692
tors. eta vs tors. theta energy: -159.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1803.591853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.591853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.591853 (E_RNA)
where:
Base-Base interactions energy: -1249.410
where: short stacking energy: -532.328
Base-Backbone interact. energy: -1.592
local terms energy: -552.589924
where:
bonds (distance) C4'-P energy: -99.888
bonds (distance) P-C4' energy: -100.546
flat angles C4'-P-C4' energy: -117.021
flat angles P-C4'-P energy: -76.982
tors. eta vs tors. theta energy: -158.153
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: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1783.020154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.020154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.020154 (E_RNA)
where:
Base-Base interactions energy: -1282.068
where: short stacking energy: -508.218
Base-Backbone interact. energy: 4.526
local terms energy: -505.478284
where:
bonds (distance) C4'-P energy: -88.909
bonds (distance) P-C4' energy: -88.095
flat angles C4'-P-C4' energy: -103.194
flat angles P-C4'-P energy: -79.106
tors. eta vs tors. theta energy: -146.176
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: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1681.151756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.151756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.151756 (E_RNA)
where:
Base-Base interactions energy: -1199.040
where: short stacking energy: -506.566
Base-Backbone interact. energy: -4.181
local terms energy: -477.931026
where:
bonds (distance) C4'-P energy: -86.419
bonds (distance) P-C4' energy: -74.557
flat angles C4'-P-C4' energy: -103.890
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -139.156
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: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1535.481182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.481182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.481182 (E_RNA)
where:
Base-Base interactions energy: -1074.904
where: short stacking energy: -440.100
Base-Backbone interact. energy: -0.885
local terms energy: -459.693031
where:
bonds (distance) C4'-P energy: -76.656
bonds (distance) P-C4' energy: -95.389
flat angles C4'-P-C4' energy: -86.739
flat angles P-C4'-P energy: -69.438
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: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1405.187315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.187315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.187315 (E_RNA)
where:
Base-Base interactions energy: -970.167
where: short stacking energy: -420.163
Base-Backbone interact. energy: -4.030
local terms energy: -430.990010
where:
bonds (distance) C4'-P energy: -75.244
bonds (distance) P-C4' energy: -88.782
flat angles C4'-P-C4' energy: -89.026
flat angles P-C4'-P energy: -62.973
tors. eta vs tors. theta energy: -114.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1402.149114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.149114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.149114 (E_RNA)
where:
Base-Base interactions energy: -965.886
where: short stacking energy: -424.550
Base-Backbone interact. energy: -3.029
local terms energy: -433.234012
where:
bonds (distance) C4'-P energy: -84.783
bonds (distance) P-C4' energy: -92.475
flat angles C4'-P-C4' energy: -91.187
flat angles P-C4'-P energy: -56.296
tors. eta vs tors. theta energy: -108.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1382.599135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.599135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.599135 (E_RNA)
where:
Base-Base interactions energy: -968.842
where: short stacking energy: -407.212
Base-Backbone interact. energy: -0.627
local terms energy: -413.130765
where:
bonds (distance) C4'-P energy: -78.243
bonds (distance) P-C4' energy: -63.492
flat angles C4'-P-C4' energy: -99.505
flat angles P-C4'-P energy: -60.403
tors. eta vs tors. theta energy: -111.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1123.083631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.083631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.083631 (E_RNA)
where:
Base-Base interactions energy: -768.311
where: short stacking energy: -332.043
Base-Backbone interact. energy: -1.265
local terms energy: -353.507690
where:
bonds (distance) C4'-P energy: -73.843
bonds (distance) P-C4' energy: -85.592
flat angles C4'-P-C4' energy: -79.398
flat angles P-C4'-P energy: -43.568
tors. eta vs tors. theta energy: -71.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -670.759799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.759799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.759799 (E_RNA)
where:
Base-Base interactions energy: -375.692
where: short stacking energy: -186.535
Base-Backbone interact. energy: 1.227
local terms energy: -296.295263
where:
bonds (distance) C4'-P energy: -74.372
bonds (distance) P-C4' energy: -71.503
flat angles C4'-P-C4' energy: -72.860
flat angles P-C4'-P energy: -53.776
tors. eta vs tors. theta energy: -23.784
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: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1833.801011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.801011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.801011 (E_RNA)
where:
Base-Base interactions energy: -1290.488
where: short stacking energy: -545.545
Base-Backbone interact. energy: -1.777
local terms energy: -541.535683
where:
bonds (distance) C4'-P energy: -90.343
bonds (distance) P-C4' energy: -100.207
flat angles C4'-P-C4' energy: -114.508
flat angles P-C4'-P energy: -79.932
tors. eta vs tors. theta energy: -156.545
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: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1811.175421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.175421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.175421 (E_RNA)
where:
Base-Base interactions energy: -1281.797
where: short stacking energy: -553.435
Base-Backbone interact. energy: -2.343
local terms energy: -527.036342
where:
bonds (distance) C4'-P energy: -99.660
bonds (distance) P-C4' energy: -83.514
flat angles C4'-P-C4' energy: -108.930
flat angles P-C4'-P energy: -76.620
tors. eta vs tors. theta energy: -158.313
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: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1770.785712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.785712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.785712 (E_RNA)
where:
Base-Base interactions energy: -1243.873
where: short stacking energy: -501.186
Base-Backbone interact. energy: -0.760
local terms energy: -526.152717
where:
bonds (distance) C4'-P energy: -81.170
bonds (distance) P-C4' energy: -111.106
flat angles C4'-P-C4' energy: -104.438
flat angles P-C4'-P energy: -87.056
tors. eta vs tors. theta energy: -142.383
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: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1682.407726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.407726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.407726 (E_RNA)
where:
Base-Base interactions energy: -1181.772
where: short stacking energy: -479.501
Base-Backbone interact. energy: -1.495
local terms energy: -499.140317
where:
bonds (distance) C4'-P energy: -87.221
bonds (distance) P-C4' energy: -96.483
flat angles C4'-P-C4' energy: -104.795
flat angles P-C4'-P energy: -66.603
tors. eta vs tors. theta energy: -144.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1575.347878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.347878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.347878 (E_RNA)
where:
Base-Base interactions energy: -1084.568
where: short stacking energy: -461.435
Base-Backbone interact. energy: -0.467
local terms energy: -490.313647
where:
bonds (distance) C4'-P energy: -91.605
bonds (distance) P-C4' energy: -85.221
flat angles C4'-P-C4' energy: -104.281
flat angles P-C4'-P energy: -80.496
tors. eta vs tors. theta energy: -128.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1425.086942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.086942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.086942 (E_RNA)
where:
Base-Base interactions energy: -978.396
where: short stacking energy: -438.929
Base-Backbone interact. energy: -0.840
local terms energy: -445.850983
where:
bonds (distance) C4'-P energy: -82.162
bonds (distance) P-C4' energy: -93.863
flat angles C4'-P-C4' energy: -99.768
flat angles P-C4'-P energy: -59.980
tors. eta vs tors. theta energy: -110.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1435.811488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.811488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.811488 (E_RNA)
where:
Base-Base interactions energy: -986.373
where: short stacking energy: -408.809
Base-Backbone interact. energy: -2.763
local terms energy: -446.675598
where:
bonds (distance) C4'-P energy: -86.755
bonds (distance) P-C4' energy: -87.576
flat angles C4'-P-C4' energy: -105.903
flat angles P-C4'-P energy: -59.454
tors. eta vs tors. theta energy: -106.988
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: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1418.664115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.664115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.664115 (E_RNA)
where:
Base-Base interactions energy: -992.144
where: short stacking energy: -396.442
Base-Backbone interact. energy: 0.910
local terms energy: -427.429834
where:
bonds (distance) C4'-P energy: -76.469
bonds (distance) P-C4' energy: -80.534
flat angles C4'-P-C4' energy: -92.984
flat angles P-C4'-P energy: -71.607
tors. eta vs tors. theta energy: -105.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1153.496792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.496792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.496792 (E_RNA)
where:
Base-Base interactions energy: -778.387
where: short stacking energy: -353.019
Base-Backbone interact. energy: -0.817
local terms energy: -374.292280
where:
bonds (distance) C4'-P energy: -74.222
bonds (distance) P-C4' energy: -78.458
flat angles C4'-P-C4' energy: -84.534
flat angles P-C4'-P energy: -52.926
tors. eta vs tors. theta energy: -84.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -702.483190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.483190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.483190 (E_RNA)
where:
Base-Base interactions energy: -400.113
where: short stacking energy: -209.638
Base-Backbone interact. energy: -1.525
local terms energy: -300.844321
where:
bonds (distance) C4'-P energy: -85.232
bonds (distance) P-C4' energy: -69.263
flat angles C4'-P-C4' energy: -69.768
flat angles P-C4'-P energy: -35.397
tors. eta vs tors. theta energy: -41.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1855.048371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.048371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.048371 (E_RNA)
where:
Base-Base interactions energy: -1320.708
where: short stacking energy: -558.336
Base-Backbone interact. energy: -3.241
local terms energy: -531.098917
where:
bonds (distance) C4'-P energy: -96.003
bonds (distance) P-C4' energy: -98.993
flat angles C4'-P-C4' energy: -105.988
flat angles P-C4'-P energy: -74.146
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: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1815.327820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.327820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.327820 (E_RNA)
where:
Base-Base interactions energy: -1273.852
where: short stacking energy: -531.469
Base-Backbone interact. energy: -1.329
local terms energy: -540.147027
where:
bonds (distance) C4'-P energy: -82.617
bonds (distance) P-C4' energy: -106.358
flat angles C4'-P-C4' energy: -113.552
flat angles P-C4'-P energy: -78.169
tors. eta vs tors. theta energy: -159.451
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: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1784.408424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.408424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.408424 (E_RNA)
where:
Base-Base interactions energy: -1278.329
where: short stacking energy: -513.529
Base-Backbone interact. energy: -1.917
local terms energy: -504.162400
where:
bonds (distance) C4'-P energy: -90.023
bonds (distance) P-C4' energy: -92.994
flat angles C4'-P-C4' energy: -113.602
flat angles P-C4'-P energy: -70.705
tors. eta vs tors. theta energy: -136.839
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: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1681.799979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.799979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.799979 (E_RNA)
where:
Base-Base interactions energy: -1188.174
where: short stacking energy: -500.465
Base-Backbone interact. energy: -1.420
local terms energy: -492.205800
where:
bonds (distance) C4'-P energy: -82.331
bonds (distance) P-C4' energy: -73.542
flat angles C4'-P-C4' energy: -112.358
flat angles P-C4'-P energy: -70.171
tors. eta vs tors. theta energy: -153.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1544.714539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.714539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.714539 (E_RNA)
where:
Base-Base interactions energy: -1063.308
where: short stacking energy: -460.407
Base-Backbone interact. energy: -0.571
local terms energy: -480.836155
where:
bonds (distance) C4'-P energy: -88.453
bonds (distance) P-C4' energy: -94.247
flat angles C4'-P-C4' energy: -96.838
flat angles P-C4'-P energy: -73.603
tors. eta vs tors. theta energy: -127.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1394.477521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.477521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.477521 (E_RNA)
where:
Base-Base interactions energy: -982.720
where: short stacking energy: -408.646
Base-Backbone interact. energy: -0.436
local terms energy: -411.321565
where:
bonds (distance) C4'-P energy: -88.429
bonds (distance) P-C4' energy: -83.480
flat angles C4'-P-C4' energy: -84.269
flat angles P-C4'-P energy: -48.790
tors. eta vs tors. theta energy: -106.353
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: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1402.293991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.293991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.293991 (E_RNA)
where:
Base-Base interactions energy: -981.628
where: short stacking energy: -399.694
Base-Backbone interact. energy: -2.506
local terms energy: -418.159901
where:
bonds (distance) C4'-P energy: -82.387
bonds (distance) P-C4' energy: -79.171
flat angles C4'-P-C4' energy: -83.137
flat angles P-C4'-P energy: -71.905
tors. eta vs tors. theta energy: -101.560
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: 99
Temperature: 1.250000
Total energy: -1399.201686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.201686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.201686 (E_RNA)
where:
Base-Base interactions energy: -963.035
where: short stacking energy: -397.129
Base-Backbone interact. energy: 0.585
local terms energy: -436.750867
where:
bonds (distance) C4'-P energy: -73.586
bonds (distance) P-C4' energy: -93.199
flat angles C4'-P-C4' energy: -91.740
flat angles P-C4'-P energy: -64.251
tors. eta vs tors. theta energy: -113.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1114.702484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.702484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.702484 (E_RNA)
where:
Base-Base interactions energy: -756.463
where: short stacking energy: -333.585
Base-Backbone interact. energy: -2.179
local terms energy: -356.061111
where:
bonds (distance) C4'-P energy: -76.528
bonds (distance) P-C4' energy: -68.752
flat angles C4'-P-C4' energy: -80.195
flat angles P-C4'-P energy: -43.724
tors. eta vs tors. theta energy: -86.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -792.605966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.605966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.605966 (E_RNA)
where:
Base-Base interactions energy: -479.702
where: short stacking energy: -232.866
Base-Backbone interact. energy: 0.204
local terms energy: -313.108023
where:
bonds (distance) C4'-P energy: -76.927
bonds (distance) P-C4' energy: -89.798
flat angles C4'-P-C4' energy: -68.600
flat angles P-C4'-P energy: -52.151
tors. eta vs tors. theta energy: -25.631
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: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1856.213966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.213966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.213966 (E_RNA)
where:
Base-Base interactions energy: -1306.454
where: short stacking energy: -548.157
Base-Backbone interact. energy: -2.426
local terms energy: -547.333332
where:
bonds (distance) C4'-P energy: -90.155
bonds (distance) P-C4' energy: -95.486
flat angles C4'-P-C4' energy: -119.704
flat angles P-C4'-P energy: -82.874
tors. eta vs tors. theta energy: -159.115
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: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1816.218776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.218776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.218776 (E_RNA)
where:
Base-Base interactions energy: -1285.537
where: short stacking energy: -540.197
Base-Backbone interact. energy: -2.621
local terms energy: -528.060327
where:
bonds (distance) C4'-P energy: -97.995
bonds (distance) P-C4' energy: -92.292
flat angles C4'-P-C4' energy: -116.331
flat angles P-C4'-P energy: -66.786
tors. eta vs tors. theta energy: -154.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1789.820574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.820574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.820574 (E_RNA)
where:
Base-Base interactions energy: -1263.140
where: short stacking energy: -506.377
Base-Backbone interact. energy: -2.038
local terms energy: -524.641753
where:
bonds (distance) C4'-P energy: -102.900
bonds (distance) P-C4' energy: -103.441
flat angles C4'-P-C4' energy: -103.955
flat angles P-C4'-P energy: -65.796
tors. eta vs tors. theta energy: -148.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1684.674399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.674399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.674399 (E_RNA)
where:
Base-Base interactions energy: -1174.606
where: short stacking energy: -473.529
Base-Backbone interact. energy: -2.409
local terms energy: -507.658601
where:
bonds (distance) C4'-P energy: -102.012
bonds (distance) P-C4' energy: -92.483
flat angles C4'-P-C4' energy: -101.084
flat angles P-C4'-P energy: -64.201
tors. eta vs tors. theta energy: -147.879
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: 100
Temperature: 1.100000
Total energy: -1538.747363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.747363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.747363 (E_RNA)
where:
Base-Base interactions energy: -1090.839
where: short stacking energy: -463.860
Base-Backbone interact. energy: -1.984
local terms energy: -445.923546
where:
bonds (distance) C4'-P energy: -78.942
bonds (distance) P-C4' energy: -74.044
flat angles C4'-P-C4' energy: -95.498
flat angles P-C4'-P energy: -75.068
tors. eta vs tors. theta energy: -122.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1377.366438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.366438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.366438 (E_RNA)
where:
Base-Base interactions energy: -952.010
where: short stacking energy: -392.527
Base-Backbone interact. energy: -1.275
local terms energy: -424.081294
where:
bonds (distance) C4'-P energy: -96.868
bonds (distance) P-C4' energy: -78.205
flat angles C4'-P-C4' energy: -92.512
flat angles P-C4'-P energy: -53.190
tors. eta vs tors. theta energy: -103.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1531.228084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.228084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.228084 (E_RNA)
where:
Base-Base interactions energy: -1100.438
where: short stacking energy: -460.082
Base-Backbone interact. energy: -1.272
local terms energy: -429.518349
where:
bonds (distance) C4'-P energy: -75.545
bonds (distance) P-C4' energy: -78.337
flat angles C4'-P-C4' energy: -86.547
flat angles P-C4'-P energy: -64.090
tors. eta vs tors. theta energy: -124.999
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: 8, replica: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1366.716060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.716060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.716060 (E_RNA)
where:
Base-Base interactions energy: -983.057
where: short stacking energy: -400.612
Base-Backbone interact. energy: 0.628
local terms energy: -384.287236
where:
bonds (distance) C4'-P energy: -64.027
bonds (distance) P-C4' energy: -69.698
flat angles C4'-P-C4' energy: -82.073
flat angles P-C4'-P energy: -53.319
tors. eta vs tors. theta energy: -115.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1056.781569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.781569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.781569 (E_RNA)
where:
Base-Base interactions energy: -686.165
where: short stacking energy: -294.336
Base-Backbone interact. energy: -2.161
local terms energy: -368.455432
where:
bonds (distance) C4'-P energy: -80.526
bonds (distance) P-C4' energy: -82.521
flat angles C4'-P-C4' energy: -84.026
flat angles P-C4'-P energy: -67.174
tors. eta vs tors. theta energy: -54.209
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: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -747.354843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.354843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.354843 (E_RNA)
where:
Base-Base interactions energy: -453.576
where: short stacking energy: -206.137
Base-Backbone interact. energy: 0.679
local terms energy: -294.457359
where:
bonds (distance) C4'-P energy: -67.900
bonds (distance) P-C4' energy: -76.098
flat angles C4'-P-C4' energy: -74.936
flat angles P-C4'-P energy: -41.954
tors. eta vs tors. theta energy: -33.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1871.045476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.045476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.045476 (E_RNA)
where:
Base-Base interactions energy: -1327.805
where: short stacking energy: -552.447
Base-Backbone interact. energy: -0.451
local terms energy: -542.789272
where:
bonds (distance) C4'-P energy: -100.654
bonds (distance) P-C4' energy: -94.389
flat angles C4'-P-C4' energy: -113.408
flat angles P-C4'-P energy: -78.558
tors. eta vs tors. theta energy: -155.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1807.943347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.943347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.943347 (E_RNA)
where:
Base-Base interactions energy: -1294.043
where: short stacking energy: -544.520
Base-Backbone interact. energy: 1.127
local terms energy: -515.027474
where:
bonds (distance) C4'-P energy: -89.919
bonds (distance) P-C4' energy: -82.374
flat angles C4'-P-C4' energy: -109.633
flat angles P-C4'-P energy: -73.033
tors. eta vs tors. theta energy: -160.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1789.910960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.910960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.910960 (E_RNA)
where:
Base-Base interactions energy: -1286.707
where: short stacking energy: -504.314
Base-Backbone interact. energy: -0.411
local terms energy: -502.792538
where:
bonds (distance) C4'-P energy: -86.476
bonds (distance) P-C4' energy: -94.541
flat angles C4'-P-C4' energy: -106.312
flat angles P-C4'-P energy: -70.092
tors. eta vs tors. theta energy: -145.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1681.350592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.350592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.350592 (E_RNA)
where:
Base-Base interactions energy: -1184.193
where: short stacking energy: -487.530
Base-Backbone interact. energy: -2.302
local terms energy: -494.855662
where:
bonds (distance) C4'-P energy: -87.685
bonds (distance) P-C4' energy: -93.492
flat angles C4'-P-C4' energy: -110.600
flat angles P-C4'-P energy: -66.007
tors. eta vs tors. theta energy: -137.072
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: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1563.881451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.881451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.881451 (E_RNA)
where:
Base-Base interactions energy: -1094.183
where: short stacking energy: -452.965
Base-Backbone interact. energy: -0.730
local terms energy: -468.968764
where:
bonds (distance) C4'-P energy: -92.623
bonds (distance) P-C4' energy: -85.676
flat angles C4'-P-C4' energy: -93.529
flat angles P-C4'-P energy: -75.643
tors. eta vs tors. theta energy: -121.497
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: 101
Temperature: 1.150000
Total energy: -1592.728071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.728071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.728071 (E_RNA)
where:
Base-Base interactions energy: -1103.947
where: short stacking energy: -452.651
Base-Backbone interact. energy: -2.418
local terms energy: -486.363182
where:
bonds (distance) C4'-P energy: -88.848
bonds (distance) P-C4' energy: -90.924
flat angles C4'-P-C4' energy: -96.109
flat angles P-C4'-P energy: -77.872
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: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1361.770638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.770638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.770638 (E_RNA)
where:
Base-Base interactions energy: -955.520
where: short stacking energy: -406.439
Base-Backbone interact. energy: -0.428
local terms energy: -405.821826
where:
bonds (distance) C4'-P energy: -72.006
bonds (distance) P-C4' energy: -90.799
flat angles C4'-P-C4' energy: -100.088
flat angles P-C4'-P energy: -50.760
tors. eta vs tors. theta energy: -92.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1392.028423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.028423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.028423 (E_RNA)
where:
Base-Base interactions energy: -977.342
where: short stacking energy: -396.356
Base-Backbone interact. energy: -0.849
local terms energy: -413.837664
where:
bonds (distance) C4'-P energy: -68.550
bonds (distance) P-C4' energy: -94.368
flat angles C4'-P-C4' energy: -89.808
flat angles P-C4'-P energy: -51.540
tors. eta vs tors. theta energy: -109.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1139.593570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.593570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.593570 (E_RNA)
where:
Base-Base interactions energy: -797.321
where: short stacking energy: -341.386
Base-Backbone interact. energy: 0.199
local terms energy: -342.471381
where:
bonds (distance) C4'-P energy: -71.826
bonds (distance) P-C4' energy: -79.461
flat angles C4'-P-C4' energy: -76.140
flat angles P-C4'-P energy: -37.048
tors. eta vs tors. theta energy: -77.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -736.118924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.118924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.118924 (E_RNA)
where:
Base-Base interactions energy: -468.165
where: short stacking energy: -238.120
Base-Backbone interact. energy: -1.746
local terms energy: -266.207966
where:
bonds (distance) C4'-P energy: -50.892
bonds (distance) P-C4' energy: -72.566
flat angles C4'-P-C4' energy: -61.731
flat angles P-C4'-P energy: -52.434
tors. eta vs tors. theta energy: -28.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1837.939239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.939239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.939239 (E_RNA)
where:
Base-Base interactions energy: -1285.051
where: short stacking energy: -546.380
Base-Backbone interact. energy: -0.800
local terms energy: -552.087930
where:
bonds (distance) C4'-P energy: -100.033
bonds (distance) P-C4' energy: -96.775
flat angles C4'-P-C4' energy: -110.920
flat angles P-C4'-P energy: -85.265
tors. eta vs tors. theta energy: -159.096
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: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1792.609715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.609715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.609715 (E_RNA)
where:
Base-Base interactions energy: -1267.686
where: short stacking energy: -528.536
Base-Backbone interact. energy: -2.462
local terms energy: -522.461033
where:
bonds (distance) C4'-P energy: -77.712
bonds (distance) P-C4' energy: -96.910
flat angles C4'-P-C4' energy: -116.534
flat angles P-C4'-P energy: -75.798
tors. eta vs tors. theta energy: -155.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1755.539378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.539378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.539378 (E_RNA)
where:
Base-Base interactions energy: -1242.127
where: short stacking energy: -508.215
Base-Backbone interact. energy: 2.695
local terms energy: -516.106984
where:
bonds (distance) C4'-P energy: -77.442
bonds (distance) P-C4' energy: -98.733
flat angles C4'-P-C4' energy: -105.971
flat angles P-C4'-P energy: -89.303
tors. eta vs tors. theta energy: -144.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1681.315060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.315060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.315060 (E_RNA)
where:
Base-Base interactions energy: -1182.227
where: short stacking energy: -496.958
Base-Backbone interact. energy: -0.651
local terms energy: -498.437451
where:
bonds (distance) C4'-P energy: -97.434
bonds (distance) P-C4' energy: -91.177
flat angles C4'-P-C4' energy: -103.856
flat angles P-C4'-P energy: -67.208
tors. eta vs tors. theta energy: -138.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1660.568208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.568208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.568208 (E_RNA)
where:
Base-Base interactions energy: -1189.493
where: short stacking energy: -499.322
Base-Backbone interact. energy: -1.728
local terms energy: -469.346883
where:
bonds (distance) C4'-P energy: -71.114
bonds (distance) P-C4' energy: -83.323
flat angles C4'-P-C4' energy: -102.864
flat angles P-C4'-P energy: -72.218
tors. eta vs tors. theta energy: -139.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1494.001279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.001279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.001279 (E_RNA)
where:
Base-Base interactions energy: -1053.310
where: short stacking energy: -430.814
Base-Backbone interact. energy: -0.273
local terms energy: -440.418194
where:
bonds (distance) C4'-P energy: -73.012
bonds (distance) P-C4' energy: -89.118
flat angles C4'-P-C4' energy: -85.692
flat angles P-C4'-P energy: -62.936
tors. eta vs tors. theta energy: -129.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1370.154334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.154334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.154334 (E_RNA)
where:
Base-Base interactions energy: -961.752
where: short stacking energy: -412.551
Base-Backbone interact. energy: -1.104
local terms energy: -407.298276
where:
bonds (distance) C4'-P energy: -86.796
bonds (distance) P-C4' energy: -74.164
flat angles C4'-P-C4' energy: -86.026
flat angles P-C4'-P energy: -55.469
tors. eta vs tors. theta energy: -104.844
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: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1304.282170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.282170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.282170 (E_RNA)
where:
Base-Base interactions energy: -879.993
where: short stacking energy: -378.178
Base-Backbone interact. energy: 2.867
local terms energy: -427.156643
where:
bonds (distance) C4'-P energy: -72.209
bonds (distance) P-C4' energy: -74.707
flat angles C4'-P-C4' energy: -106.148
flat angles P-C4'-P energy: -71.261
tors. eta vs tors. theta energy: -102.831
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: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1136.031061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.031061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.031061 (E_RNA)
where:
Base-Base interactions energy: -785.887
where: short stacking energy: -319.977
Base-Backbone interact. energy: -1.264
local terms energy: -348.879414
where:
bonds (distance) C4'-P energy: -72.194
bonds (distance) P-C4' energy: -68.688
flat angles C4'-P-C4' energy: -83.392
flat angles P-C4'-P energy: -54.295
tors. eta vs tors. theta energy: -70.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -749.946954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.946954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.946954 (E_RNA)
where:
Base-Base interactions energy: -426.304
where: short stacking energy: -190.512
Base-Backbone interact. energy: 1.137
local terms energy: -324.779362
where:
bonds (distance) C4'-P energy: -81.868
bonds (distance) P-C4' energy: -88.624
flat angles C4'-P-C4' energy: -77.353
flat angles P-C4'-P energy: -57.960
tors. eta vs tors. theta energy: -18.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1833.924141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.924141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.924141 (E_RNA)
where:
Base-Base interactions energy: -1287.842
where: short stacking energy: -548.217
Base-Backbone interact. energy: -1.568
local terms energy: -544.514303
where:
bonds (distance) C4'-P energy: -99.951
bonds (distance) P-C4' energy: -96.691
flat angles C4'-P-C4' energy: -111.002
flat angles P-C4'-P energy: -84.256
tors. eta vs tors. theta energy: -152.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1798.707372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.707372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.707372 (E_RNA)
where:
Base-Base interactions energy: -1266.642
where: short stacking energy: -516.645
Base-Backbone interact. energy: -3.368
local terms energy: -528.697198
where:
bonds (distance) C4'-P energy: -99.912
bonds (distance) P-C4' energy: -82.841
flat angles C4'-P-C4' energy: -114.678
flat angles P-C4'-P energy: -78.683
tors. eta vs tors. theta energy: -152.583
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: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1768.519981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.519981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.519981 (E_RNA)
where:
Base-Base interactions energy: -1234.919
where: short stacking energy: -512.031
Base-Backbone interact. energy: -0.815
local terms energy: -532.786463
where:
bonds (distance) C4'-P energy: -86.509
bonds (distance) P-C4' energy: -102.304
flat angles C4'-P-C4' energy: -112.250
flat angles P-C4'-P energy: -77.880
tors. eta vs tors. theta energy: -153.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1653.970969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.970969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.970969 (E_RNA)
where:
Base-Base interactions energy: -1147.057
where: short stacking energy: -494.236
Base-Backbone interact. energy: -1.170
local terms energy: -505.744456
where:
bonds (distance) C4'-P energy: -90.678
bonds (distance) P-C4' energy: -88.348
flat angles C4'-P-C4' energy: -108.737
flat angles P-C4'-P energy: -81.059
tors. eta vs tors. theta energy: -136.922
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: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1675.269517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.269517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.269517 (E_RNA)
where:
Base-Base interactions energy: -1190.352
where: short stacking energy: -491.601
Base-Backbone interact. energy: 0.335
local terms energy: -485.252474
where:
bonds (distance) C4'-P energy: -89.489
bonds (distance) P-C4' energy: -90.305
flat angles C4'-P-C4' energy: -94.806
flat angles P-C4'-P energy: -67.563
tors. eta vs tors. theta energy: -143.090
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: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1453.989785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.989785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.989785 (E_RNA)
where:
Base-Base interactions energy: -1015.755
where: short stacking energy: -394.398
Base-Backbone interact. energy: -3.250
local terms energy: -434.985642
where:
bonds (distance) C4'-P energy: -78.533
bonds (distance) P-C4' energy: -107.417
flat angles C4'-P-C4' energy: -98.736
flat angles P-C4'-P energy: -53.533
tors. eta vs tors. theta energy: -96.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1380.097861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.097861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.097861 (E_RNA)
where:
Base-Base interactions energy: -939.360
where: short stacking energy: -408.563
Base-Backbone interact. energy: -2.003
local terms energy: -438.735583
where:
bonds (distance) C4'-P energy: -80.813
bonds (distance) P-C4' energy: -83.838
flat angles C4'-P-C4' energy: -91.337
flat angles P-C4'-P energy: -67.607
tors. eta vs tors. theta energy: -115.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1297.964852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.964852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.964852 (E_RNA)
where:
Base-Base interactions energy: -887.880
where: short stacking energy: -357.979
Base-Backbone interact. energy: 0.079
local terms energy: -410.163755
where:
bonds (distance) C4'-P energy: -90.188
bonds (distance) P-C4' energy: -92.197
flat angles C4'-P-C4' energy: -80.579
flat angles P-C4'-P energy: -61.342
tors. eta vs tors. theta energy: -85.857
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: 9, replica: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1109.490978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.490978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.490978 (E_RNA)
where:
Base-Base interactions energy: -750.259
where: short stacking energy: -304.568
Base-Backbone interact. energy: 1.296
local terms energy: -360.527578
where:
bonds (distance) C4'-P energy: -79.120
bonds (distance) P-C4' energy: -77.116
flat angles C4'-P-C4' energy: -92.593
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: -67.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -761.363282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.363282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.363282 (E_RNA)
where:
Base-Base interactions energy: -451.516
where: short stacking energy: -217.570
Base-Backbone interact. energy: 4.416
local terms energy: -314.263378
where:
bonds (distance) C4'-P energy: -89.995
bonds (distance) P-C4' energy: -74.092
flat angles C4'-P-C4' energy: -62.865
flat angles P-C4'-P energy: -57.218
tors. eta vs tors. theta energy: -30.094
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: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1847.470863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.470863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.470863 (E_RNA)
where:
Base-Base interactions energy: -1311.632
where: short stacking energy: -540.780
Base-Backbone interact. energy: -3.000
local terms energy: -532.838645
where:
bonds (distance) C4'-P energy: -87.089
bonds (distance) P-C4' energy: -103.789
flat angles C4'-P-C4' energy: -106.779
flat angles P-C4'-P energy: -85.397
tors. eta vs tors. theta energy: -149.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1806.316258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.316258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.316258 (E_RNA)
where:
Base-Base interactions energy: -1278.653
where: short stacking energy: -510.394
Base-Backbone interact. energy: -5.006
local terms energy: -522.657072
where:
bonds (distance) C4'-P energy: -91.167
bonds (distance) P-C4' energy: -100.708
flat angles C4'-P-C4' energy: -110.051
flat angles P-C4'-P energy: -76.268
tors. eta vs tors. theta energy: -144.463
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: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1798.880913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.880913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.880913 (E_RNA)
where:
Base-Base interactions energy: -1282.747
where: short stacking energy: -538.853
Base-Backbone interact. energy: -2.406
local terms energy: -513.728064
where:
bonds (distance) C4'-P energy: -93.217
bonds (distance) P-C4' energy: -78.895
flat angles C4'-P-C4' energy: -116.829
flat angles P-C4'-P energy: -68.298
tors. eta vs tors. theta energy: -156.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1678.612703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.612703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.612703 (E_RNA)
where:
Base-Base interactions energy: -1179.975
where: short stacking energy: -498.580
Base-Backbone interact. energy: -3.338
local terms energy: -495.300121
where:
bonds (distance) C4'-P energy: -94.279
bonds (distance) P-C4' energy: -89.672
flat angles C4'-P-C4' energy: -102.430
flat angles P-C4'-P energy: -69.805
tors. eta vs tors. theta energy: -139.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1661.624144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.624144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.624144 (E_RNA)
where:
Base-Base interactions energy: -1182.283
where: short stacking energy: -484.477
Base-Backbone interact. energy: -1.907
local terms energy: -477.434406
where:
bonds (distance) C4'-P energy: -78.815
bonds (distance) P-C4' energy: -82.076
flat angles C4'-P-C4' energy: -103.242
flat angles P-C4'-P energy: -66.674
tors. eta vs tors. theta energy: -146.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1470.098096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.098096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.098096 (E_RNA)
where:
Base-Base interactions energy: -1037.635
where: short stacking energy: -412.122
Base-Backbone interact. energy: -1.357
local terms energy: -431.106261
where:
bonds (distance) C4'-P energy: -79.114
bonds (distance) P-C4' energy: -83.091
flat angles C4'-P-C4' energy: -95.193
flat angles P-C4'-P energy: -63.653
tors. eta vs tors. theta energy: -110.056
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: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1326.122993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.122993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.122993 (E_RNA)
where:
Base-Base interactions energy: -928.166
where: short stacking energy: -366.670
Base-Backbone interact. energy: 4.821
local terms energy: -402.778214
where:
bonds (distance) C4'-P energy: -67.947
bonds (distance) P-C4' energy: -80.407
flat angles C4'-P-C4' energy: -91.043
flat angles P-C4'-P energy: -70.036
tors. eta vs tors. theta energy: -93.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1269.361100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.361100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.361100 (E_RNA)
where:
Base-Base interactions energy: -886.394
where: short stacking energy: -371.726
Base-Backbone interact. energy: -1.628
local terms energy: -381.339481
where:
bonds (distance) C4'-P energy: -80.883
bonds (distance) P-C4' energy: -81.016
flat angles C4'-P-C4' energy: -73.415
flat angles P-C4'-P energy: -57.818
tors. eta vs tors. theta energy: -88.208
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: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1084.817508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.817508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.817508 (E_RNA)
where:
Base-Base interactions energy: -753.867
where: short stacking energy: -329.809
Base-Backbone interact. energy: 2.008
local terms energy: -332.958833
where:
bonds (distance) C4'-P energy: -70.851
bonds (distance) P-C4' energy: -76.592
flat angles C4'-P-C4' energy: -77.291
flat angles P-C4'-P energy: -43.589
tors. eta vs tors. theta energy: -64.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -797.850640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.850640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.850640 (E_RNA)
where:
Base-Base interactions energy: -497.335
where: short stacking energy: -216.027
Base-Backbone interact. energy: 6.483
local terms energy: -306.999099
where:
bonds (distance) C4'-P energy: -70.306
bonds (distance) P-C4' energy: -69.362
flat angles C4'-P-C4' energy: -91.263
flat angles P-C4'-P energy: -44.422
tors. eta vs tors. theta energy: -31.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1850.336991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.336991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.336991 (E_RNA)
where:
Base-Base interactions energy: -1286.259
where: short stacking energy: -553.136
Base-Backbone interact. energy: -2.389
local terms energy: -561.688986
where:
bonds (distance) C4'-P energy: -94.912
bonds (distance) P-C4' energy: -106.659
flat angles C4'-P-C4' energy: -113.156
flat angles P-C4'-P energy: -80.461
tors. eta vs tors. theta energy: -166.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1820.999363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.999363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.999363 (E_RNA)
where:
Base-Base interactions energy: -1274.219
where: short stacking energy: -520.599
Base-Backbone interact. energy: -0.949
local terms energy: -545.831360
where:
bonds (distance) C4'-P energy: -105.854
bonds (distance) P-C4' energy: -104.705
flat angles C4'-P-C4' energy: -111.253
flat angles P-C4'-P energy: -71.239
tors. eta vs tors. theta energy: -152.782
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: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1759.659741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.659741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.659741 (E_RNA)
where:
Base-Base interactions energy: -1238.366
where: short stacking energy: -518.389
Base-Backbone interact. energy: -1.285
local terms energy: -520.008020
where:
bonds (distance) C4'-P energy: -88.902
bonds (distance) P-C4' energy: -101.951
flat angles C4'-P-C4' energy: -108.961
flat angles P-C4'-P energy: -66.496
tors. eta vs tors. theta energy: -153.698
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: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1703.885180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.885180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.885180 (E_RNA)
where:
Base-Base interactions energy: -1209.735
where: short stacking energy: -519.164
Base-Backbone interact. energy: -0.012
local terms energy: -494.138380
where:
bonds (distance) C4'-P energy: -86.460
bonds (distance) P-C4' energy: -83.945
flat angles C4'-P-C4' energy: -103.795
flat angles P-C4'-P energy: -73.147
tors. eta vs tors. theta energy: -146.793
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: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1614.082048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.082048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.082048 (E_RNA)
where:
Base-Base interactions energy: -1131.774
where: short stacking energy: -460.792
Base-Backbone interact. energy: -0.588
local terms energy: -481.719788
where:
bonds (distance) C4'-P energy: -79.817
bonds (distance) P-C4' energy: -99.755
flat angles C4'-P-C4' energy: -102.971
flat angles P-C4'-P energy: -72.663
tors. eta vs tors. theta energy: -126.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1496.978314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.978314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.978314 (E_RNA)
where:
Base-Base interactions energy: -1043.529
where: short stacking energy: -447.725
Base-Backbone interact. energy: -0.721
local terms energy: -452.727760
where:
bonds (distance) C4'-P energy: -69.295
bonds (distance) P-C4' energy: -99.927
flat angles C4'-P-C4' energy: -107.584
flat angles P-C4'-P energy: -47.230
tors. eta vs tors. theta energy: -128.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1377.401209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.401209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.401209 (E_RNA)
where:
Base-Base interactions energy: -954.789
where: short stacking energy: -397.606
Base-Backbone interact. energy: 6.098
local terms energy: -428.709982
where:
bonds (distance) C4'-P energy: -92.548
bonds (distance) P-C4' energy: -88.763
flat angles C4'-P-C4' energy: -93.630
flat angles P-C4'-P energy: -53.385
tors. eta vs tors. theta energy: -100.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1279.170350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.170350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.170350 (E_RNA)
where:
Base-Base interactions energy: -910.468
where: short stacking energy: -382.344
Base-Backbone interact. energy: -1.064
local terms energy: -367.637480
where:
bonds (distance) C4'-P energy: -72.086
bonds (distance) P-C4' energy: -74.683
flat angles C4'-P-C4' energy: -85.995
flat angles P-C4'-P energy: -40.733
tors. eta vs tors. theta energy: -94.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1119.936966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.936966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.936966 (E_RNA)
where:
Base-Base interactions energy: -748.712
where: short stacking energy: -308.525
Base-Backbone interact. energy: -0.293
local terms energy: -370.931491
where:
bonds (distance) C4'-P energy: -58.985
bonds (distance) P-C4' energy: -90.003
flat angles C4'-P-C4' energy: -89.370
flat angles P-C4'-P energy: -58.424
tors. eta vs tors. theta energy: -74.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -819.348638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.348638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.348638 (E_RNA)
where:
Base-Base interactions energy: -500.708
where: short stacking energy: -248.191
Base-Backbone interact. energy: 0.790
local terms energy: -319.431086
where:
bonds (distance) C4'-P energy: -65.933
bonds (distance) P-C4' energy: -75.808
flat angles C4'-P-C4' energy: -83.589
flat angles P-C4'-P energy: -53.992
tors. eta vs tors. theta energy: -40.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1831.857474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.857474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.857474 (E_RNA)
where:
Base-Base interactions energy: -1296.840
where: short stacking energy: -538.026
Base-Backbone interact. energy: -1.242
local terms energy: -533.775323
where:
bonds (distance) C4'-P energy: -86.860
bonds (distance) P-C4' energy: -103.938
flat angles C4'-P-C4' energy: -120.479
flat angles P-C4'-P energy: -77.657
tors. eta vs tors. theta energy: -144.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1821.548690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.548690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.548690 (E_RNA)
where:
Base-Base interactions energy: -1288.456
where: short stacking energy: -534.127
Base-Backbone interact. energy: -1.250
local terms energy: -531.842898
where:
bonds (distance) C4'-P energy: -79.086
bonds (distance) P-C4' energy: -106.131
flat angles C4'-P-C4' energy: -109.981
flat angles P-C4'-P energy: -79.370
tors. eta vs tors. theta energy: -157.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1785.976172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.976172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.976172 (E_RNA)
where:
Base-Base interactions energy: -1258.829
where: short stacking energy: -533.739
Base-Backbone interact. energy: -1.828
local terms energy: -525.318981
where:
bonds (distance) C4'-P energy: -89.530
bonds (distance) P-C4' energy: -102.240
flat angles C4'-P-C4' energy: -110.118
flat angles P-C4'-P energy: -76.069
tors. eta vs tors. theta energy: -147.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1723.475834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.475834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.475834 (E_RNA)
where:
Base-Base interactions energy: -1217.522
where: short stacking energy: -494.019
Base-Backbone interact. energy: -0.595
local terms energy: -505.359270
where:
bonds (distance) C4'-P energy: -88.293
bonds (distance) P-C4' energy: -88.573
flat angles C4'-P-C4' energy: -119.626
flat angles P-C4'-P energy: -66.373
tors. eta vs tors. theta energy: -142.494
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: 106
Temperature: 1.100000
Total energy: -1608.654699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.654699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.654699 (E_RNA)
where:
Base-Base interactions energy: -1158.957
where: short stacking energy: -475.276
Base-Backbone interact. energy: 0.264
local terms energy: -449.962338
where:
bonds (distance) C4'-P energy: -77.989
bonds (distance) P-C4' energy: -84.923
flat angles C4'-P-C4' energy: -96.780
flat angles P-C4'-P energy: -55.331
tors. eta vs tors. theta energy: -134.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1463.203083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.203083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.203083 (E_RNA)
where:
Base-Base interactions energy: -1021.713
where: short stacking energy: -427.621
Base-Backbone interact. energy: -1.602
local terms energy: -439.887508
where:
bonds (distance) C4'-P energy: -94.089
bonds (distance) P-C4' energy: -87.168
flat angles C4'-P-C4' energy: -91.738
flat angles P-C4'-P energy: -57.035
tors. eta vs tors. theta energy: -109.859
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: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1377.577050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.577050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.577050 (E_RNA)
where:
Base-Base interactions energy: -951.898
where: short stacking energy: -399.821
Base-Backbone interact. energy: 0.093
local terms energy: -425.772031
where:
bonds (distance) C4'-P energy: -77.890
bonds (distance) P-C4' energy: -80.172
flat angles C4'-P-C4' energy: -103.028
flat angles P-C4'-P energy: -59.125
tors. eta vs tors. theta energy: -105.558
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: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1230.946659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.946659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.946659 (E_RNA)
where:
Base-Base interactions energy: -863.903
where: short stacking energy: -365.049
Base-Backbone interact. energy: -0.416
local terms energy: -366.627455
where:
bonds (distance) C4'-P energy: -80.987
bonds (distance) P-C4' energy: -71.557
flat angles C4'-P-C4' energy: -89.146
flat angles P-C4'-P energy: -47.826
tors. eta vs tors. theta energy: -77.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1115.915034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.915034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.915034 (E_RNA)
where:
Base-Base interactions energy: -764.348
where: short stacking energy: -338.979
Base-Backbone interact. energy: -0.411
local terms energy: -351.156532
where:
bonds (distance) C4'-P energy: -68.668
bonds (distance) P-C4' energy: -87.076
flat angles C4'-P-C4' energy: -80.148
flat angles P-C4'-P energy: -40.888
tors. eta vs tors. theta energy: -74.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -856.674827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.674827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.674827 (E_RNA)
where:
Base-Base interactions energy: -545.354
where: short stacking energy: -265.328
Base-Backbone interact. energy: 0.076
local terms energy: -311.396583
where:
bonds (distance) C4'-P energy: -78.822
bonds (distance) P-C4' energy: -74.014
flat angles C4'-P-C4' energy: -79.140
flat angles P-C4'-P energy: -41.006
tors. eta vs tors. theta energy: -38.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1859.875148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.875148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.875148 (E_RNA)
where:
Base-Base interactions energy: -1320.295
where: short stacking energy: -545.067
Base-Backbone interact. energy: -1.617
local terms energy: -537.963021
where:
bonds (distance) C4'-P energy: -87.827
bonds (distance) P-C4' energy: -106.028
flat angles C4'-P-C4' energy: -113.932
flat angles P-C4'-P energy: -74.370
tors. eta vs tors. theta energy: -155.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1804.473793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.473793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.473793 (E_RNA)
where:
Base-Base interactions energy: -1269.627
where: short stacking energy: -518.549
Base-Backbone interact. energy: -0.767
local terms energy: -534.079706
where:
bonds (distance) C4'-P energy: -94.363
bonds (distance) P-C4' energy: -94.840
flat angles C4'-P-C4' energy: -108.783
flat angles P-C4'-P energy: -81.485
tors. eta vs tors. theta energy: -154.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1778.741161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.741161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.741161 (E_RNA)
where:
Base-Base interactions energy: -1249.557
where: short stacking energy: -519.960
Base-Backbone interact. energy: -0.804
local terms energy: -528.380257
where:
bonds (distance) C4'-P energy: -91.158
bonds (distance) P-C4' energy: -88.331
flat angles C4'-P-C4' energy: -116.223
flat angles P-C4'-P energy: -78.321
tors. eta vs tors. theta energy: -154.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1709.413240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.413240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.413240 (E_RNA)
where:
Base-Base interactions energy: -1201.132
where: short stacking energy: -509.382
Base-Backbone interact. energy: -0.822
local terms energy: -507.459083
where:
bonds (distance) C4'-P energy: -81.066
bonds (distance) P-C4' energy: -93.405
flat angles C4'-P-C4' energy: -110.242
flat angles P-C4'-P energy: -68.981
tors. eta vs tors. theta energy: -153.766
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: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1652.684264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.684264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.684264 (E_RNA)
where:
Base-Base interactions energy: -1151.263
where: short stacking energy: -472.602
Base-Backbone interact. energy: -1.967
local terms energy: -499.454067
where:
bonds (distance) C4'-P energy: -91.066
bonds (distance) P-C4' energy: -95.500
flat angles C4'-P-C4' energy: -106.553
flat angles P-C4'-P energy: -65.192
tors. eta vs tors. theta energy: -141.144
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: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1450.080908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.080908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.080908 (E_RNA)
where:
Base-Base interactions energy: -1010.884
where: short stacking energy: -435.879
Base-Backbone interact. energy: -0.159
local terms energy: -439.037573
where:
bonds (distance) C4'-P energy: -79.297
bonds (distance) P-C4' energy: -91.260
flat angles C4'-P-C4' energy: -93.838
flat angles P-C4'-P energy: -60.832
tors. eta vs tors. theta energy: -113.811
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: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1364.734003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.734003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.734003 (E_RNA)
where:
Base-Base interactions energy: -940.915
where: short stacking energy: -415.237
Base-Backbone interact. energy: -0.308
local terms energy: -423.510922
where:
bonds (distance) C4'-P energy: -65.407
bonds (distance) P-C4' energy: -95.049
flat angles C4'-P-C4' energy: -87.373
flat angles P-C4'-P energy: -67.666
tors. eta vs tors. theta energy: -108.016
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: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1303.213175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.213175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.213175 (E_RNA)
where:
Base-Base interactions energy: -912.204
where: short stacking energy: -393.326
Base-Backbone interact. energy: -1.917
local terms energy: -389.092302
where:
bonds (distance) C4'-P energy: -68.614
bonds (distance) P-C4' energy: -84.907
flat angles C4'-P-C4' energy: -95.288
flat angles P-C4'-P energy: -47.697
tors. eta vs tors. theta energy: -92.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1124.124985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.124985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.124985 (E_RNA)
where:
Base-Base interactions energy: -755.952
where: short stacking energy: -317.547
Base-Backbone interact. energy: -1.473
local terms energy: -366.699981
where:
bonds (distance) C4'-P energy: -67.633
bonds (distance) P-C4' energy: -87.275
flat angles C4'-P-C4' energy: -86.504
flat angles P-C4'-P energy: -52.524
tors. eta vs tors. theta energy: -72.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -789.529474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.529474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.529474 (E_RNA)
where:
Base-Base interactions energy: -491.205
where: short stacking energy: -235.069
Base-Backbone interact. energy: -1.953
local terms energy: -296.371688
where:
bonds (distance) C4'-P energy: -73.054
bonds (distance) P-C4' energy: -74.014
flat angles C4'-P-C4' energy: -78.388
flat angles P-C4'-P energy: -50.362
tors. eta vs tors. theta energy: -20.554
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: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1843.261820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.261820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.261820 (E_RNA)
where:
Base-Base interactions energy: -1297.839
where: short stacking energy: -520.992
Base-Backbone interact. energy: -2.825
local terms energy: -542.598627
where:
bonds (distance) C4'-P energy: -89.496
bonds (distance) P-C4' energy: -105.996
flat angles C4'-P-C4' energy: -113.469
flat angles P-C4'-P energy: -82.210
tors. eta vs tors. theta energy: -151.427
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: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1805.670977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.670977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.670977 (E_RNA)
where:
Base-Base interactions energy: -1278.608
where: short stacking energy: -547.589
Base-Backbone interact. energy: -2.266
local terms energy: -524.797433
where:
bonds (distance) C4'-P energy: -87.308
bonds (distance) P-C4' energy: -89.993
flat angles C4'-P-C4' energy: -101.257
flat angles P-C4'-P energy: -84.692
tors. eta vs tors. theta energy: -161.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1794.251118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.251118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.251118 (E_RNA)
where:
Base-Base interactions energy: -1252.333
where: short stacking energy: -534.064
Base-Backbone interact. energy: -2.296
local terms energy: -539.622091
where:
bonds (distance) C4'-P energy: -94.698
bonds (distance) P-C4' energy: -96.251
flat angles C4'-P-C4' energy: -113.844
flat angles P-C4'-P energy: -75.662
tors. eta vs tors. theta energy: -159.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1733.255055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.255055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.255055 (E_RNA)
where:
Base-Base interactions energy: -1236.882
where: short stacking energy: -532.127
Base-Backbone interact. energy: 3.186
local terms energy: -499.558973
where:
bonds (distance) C4'-P energy: -82.845
bonds (distance) P-C4' energy: -80.790
flat angles C4'-P-C4' energy: -108.305
flat angles P-C4'-P energy: -74.317
tors. eta vs tors. theta energy: -153.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1639.015002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.015002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.015002 (E_RNA)
where:
Base-Base interactions energy: -1157.367
where: short stacking energy: -471.555
Base-Backbone interact. energy: 0.031
local terms energy: -481.678748
where:
bonds (distance) C4'-P energy: -84.204
bonds (distance) P-C4' energy: -92.368
flat angles C4'-P-C4' energy: -102.964
flat angles P-C4'-P energy: -66.866
tors. eta vs tors. theta energy: -135.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1466.548052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.548052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.548052 (E_RNA)
where:
Base-Base interactions energy: -1032.714
where: short stacking energy: -436.022
Base-Backbone interact. energy: -1.165
local terms energy: -432.668813
where:
bonds (distance) C4'-P energy: -84.720
bonds (distance) P-C4' energy: -79.736
flat angles C4'-P-C4' energy: -100.812
flat angles P-C4'-P energy: -53.435
tors. eta vs tors. theta energy: -113.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1297.344871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.344871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.344871 (E_RNA)
where:
Base-Base interactions energy: -915.718
where: short stacking energy: -398.902
Base-Backbone interact. energy: -0.800
local terms energy: -380.827513
where:
bonds (distance) C4'-P energy: -85.089
bonds (distance) P-C4' energy: -79.650
flat angles C4'-P-C4' energy: -74.872
flat angles P-C4'-P energy: -51.496
tors. eta vs tors. theta energy: -89.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1250.227714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.227714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.227714 (E_RNA)
where:
Base-Base interactions energy: -861.325
where: short stacking energy: -368.076
Base-Backbone interact. energy: 0.694
local terms energy: -389.596832
where:
bonds (distance) C4'-P energy: -67.530
bonds (distance) P-C4' energy: -85.152
flat angles C4'-P-C4' energy: -89.274
flat angles P-C4'-P energy: -54.145
tors. eta vs tors. theta energy: -93.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1097.589794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.589794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.589794 (E_RNA)
where:
Base-Base interactions energy: -718.559
where: short stacking energy: -315.783
Base-Backbone interact. energy: -2.790
local terms energy: -376.240247
where:
bonds (distance) C4'-P energy: -95.948
bonds (distance) P-C4' energy: -79.869
flat angles C4'-P-C4' energy: -78.084
flat angles P-C4'-P energy: -54.401
tors. eta vs tors. theta energy: -67.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -777.894116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.894116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.894116 (E_RNA)
where:
Base-Base interactions energy: -490.257
where: short stacking energy: -234.422
Base-Backbone interact. energy: -2.356
local terms energy: -285.281885
where:
bonds (distance) C4'-P energy: -69.302
bonds (distance) P-C4' energy: -79.212
flat angles C4'-P-C4' energy: -52.048
flat angles P-C4'-P energy: -51.739
tors. eta vs tors. theta energy: -32.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1851.011676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.011676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.011676 (E_RNA)
where:
Base-Base interactions energy: -1309.463
where: short stacking energy: -551.217
Base-Backbone interact. energy: -1.216
local terms energy: -540.332858
where:
bonds (distance) C4'-P energy: -95.657
bonds (distance) P-C4' energy: -91.166
flat angles C4'-P-C4' energy: -116.071
flat angles P-C4'-P energy: -84.755
tors. eta vs tors. theta energy: -152.684
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: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1808.840912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.840912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.840912 (E_RNA)
where:
Base-Base interactions energy: -1274.930
where: short stacking energy: -528.344
Base-Backbone interact. energy: -1.470
local terms energy: -532.440460
where:
bonds (distance) C4'-P energy: -86.686
bonds (distance) P-C4' energy: -102.728
flat angles C4'-P-C4' energy: -114.458
flat angles P-C4'-P energy: -80.986
tors. eta vs tors. theta energy: -147.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1775.026392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.026392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.026392 (E_RNA)
where:
Base-Base interactions energy: -1253.935
where: short stacking energy: -531.047
Base-Backbone interact. energy: 1.219
local terms energy: -522.309607
where:
bonds (distance) C4'-P energy: -80.628
bonds (distance) P-C4' energy: -91.743
flat angles C4'-P-C4' energy: -107.738
flat angles P-C4'-P energy: -80.242
tors. eta vs tors. theta energy: -161.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1647.481022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.481022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.481022 (E_RNA)
where:
Base-Base interactions energy: -1156.157
where: short stacking energy: -467.157
Base-Backbone interact. energy: -0.699
local terms energy: -490.625201
where:
bonds (distance) C4'-P energy: -81.295
bonds (distance) P-C4' energy: -95.504
flat angles C4'-P-C4' energy: -108.907
flat angles P-C4'-P energy: -73.056
tors. eta vs tors. theta energy: -131.863
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: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1665.585880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.585880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.585880 (E_RNA)
where:
Base-Base interactions energy: -1168.357
where: short stacking energy: -468.435
Base-Backbone interact. energy: -0.645
local terms energy: -496.583572
where:
bonds (distance) C4'-P energy: -88.438
bonds (distance) P-C4' energy: -102.283
flat angles C4'-P-C4' energy: -99.243
flat angles P-C4'-P energy: -68.964
tors. eta vs tors. theta energy: -137.656
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: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1425.154629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.154629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.154629 (E_RNA)
where:
Base-Base interactions energy: -994.844
where: short stacking energy: -412.928
Base-Backbone interact. energy: -1.491
local terms energy: -428.819736
where:
bonds (distance) C4'-P energy: -71.045
bonds (distance) P-C4' energy: -83.593
flat angles C4'-P-C4' energy: -90.472
flat angles P-C4'-P energy: -67.206
tors. eta vs tors. theta energy: -116.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1317.352936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.352936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.352936 (E_RNA)
where:
Base-Base interactions energy: -914.070
where: short stacking energy: -381.628
Base-Backbone interact. energy: -1.407
local terms energy: -401.875944
where:
bonds (distance) C4'-P energy: -90.214
bonds (distance) P-C4' energy: -79.981
flat angles C4'-P-C4' energy: -87.491
flat angles P-C4'-P energy: -47.583
tors. eta vs tors. theta energy: -96.606
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: 8, replica: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1261.082259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.082259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.082259 (E_RNA)
where:
Base-Base interactions energy: -855.758
where: short stacking energy: -368.803
Base-Backbone interact. energy: 0.359
local terms energy: -405.683665
where:
bonds (distance) C4'-P energy: -85.487
bonds (distance) P-C4' energy: -70.910
flat angles C4'-P-C4' energy: -99.517
flat angles P-C4'-P energy: -58.100
tors. eta vs tors. theta energy: -91.670
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: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1130.375545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.375545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.375545 (E_RNA)
where:
Base-Base interactions energy: -754.933
where: short stacking energy: -337.548
Base-Backbone interact. energy: -1.549
local terms energy: -373.893263
where:
bonds (distance) C4'-P energy: -70.106
bonds (distance) P-C4' energy: -84.891
flat angles C4'-P-C4' energy: -97.225
flat angles P-C4'-P energy: -46.698
tors. eta vs tors. theta energy: -74.973
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: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -700.010241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.010241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.010241 (E_RNA)
where:
Base-Base interactions energy: -405.145
where: short stacking energy: -205.856
Base-Backbone interact. energy: 2.340
local terms energy: -297.205090
where:
bonds (distance) C4'-P energy: -84.175
bonds (distance) P-C4' energy: -87.797
flat angles C4'-P-C4' energy: -68.653
flat angles P-C4'-P energy: -43.107
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1863.907142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.907142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.907142 (E_RNA)
where:
Base-Base interactions energy: -1301.470
where: short stacking energy: -530.243
Base-Backbone interact. energy: -0.791
local terms energy: -561.645765
where:
bonds (distance) C4'-P energy: -104.737
bonds (distance) P-C4' energy: -107.977
flat angles C4'-P-C4' energy: -118.444
flat angles P-C4'-P energy: -75.468
tors. eta vs tors. theta energy: -155.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1828.244593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.244593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.244593 (E_RNA)
where:
Base-Base interactions energy: -1274.028
where: short stacking energy: -540.750
Base-Backbone interact. energy: -2.307
local terms energy: -551.909992
where:
bonds (distance) C4'-P energy: -102.486
bonds (distance) P-C4' energy: -95.231
flat angles C4'-P-C4' energy: -114.883
flat angles P-C4'-P energy: -85.681
tors. eta vs tors. theta energy: -153.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1752.409691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.409691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.409691 (E_RNA)
where:
Base-Base interactions energy: -1244.424
where: short stacking energy: -524.558
Base-Backbone interact. energy: -1.402
local terms energy: -506.583539
where:
bonds (distance) C4'-P energy: -96.813
bonds (distance) P-C4' energy: -85.235
flat angles C4'-P-C4' energy: -108.393
flat angles P-C4'-P energy: -75.534
tors. eta vs tors. theta energy: -140.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1665.075560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.075560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.075560 (E_RNA)
where:
Base-Base interactions energy: -1144.223
where: short stacking energy: -492.590
Base-Backbone interact. energy: -1.726
local terms energy: -519.126813
where:
bonds (distance) C4'-P energy: -92.596
bonds (distance) P-C4' energy: -105.521
flat angles C4'-P-C4' energy: -103.900
flat angles P-C4'-P energy: -82.046
tors. eta vs tors. theta energy: -135.065
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: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1674.308621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.308621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.308621 (E_RNA)
where:
Base-Base interactions energy: -1199.595
where: short stacking energy: -486.484
Base-Backbone interact. energy: -1.596
local terms energy: -473.117875
where:
bonds (distance) C4'-P energy: -75.467
bonds (distance) P-C4' energy: -86.266
flat angles C4'-P-C4' energy: -101.240
flat angles P-C4'-P energy: -67.368
tors. eta vs tors. theta energy: -142.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1502.378031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.378031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.378031 (E_RNA)
where:
Base-Base interactions energy: -1058.230
where: short stacking energy: -435.010
Base-Backbone interact. energy: 0.597
local terms energy: -444.745709
where:
bonds (distance) C4'-P energy: -94.657
bonds (distance) P-C4' energy: -86.294
flat angles C4'-P-C4' energy: -84.292
flat angles P-C4'-P energy: -57.385
tors. eta vs tors. theta energy: -122.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1295.378808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.378808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.378808 (E_RNA)
where:
Base-Base interactions energy: -901.159
where: short stacking energy: -372.246
Base-Backbone interact. energy: -1.229
local terms energy: -392.990146
where:
bonds (distance) C4'-P energy: -79.114
bonds (distance) P-C4' energy: -76.869
flat angles C4'-P-C4' energy: -93.502
flat angles P-C4'-P energy: -61.765
tors. eta vs tors. theta energy: -81.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1262.103052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.103052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.103052 (E_RNA)
where:
Base-Base interactions energy: -877.985
where: short stacking energy: -361.505
Base-Backbone interact. energy: 2.733
local terms energy: -386.851911
where:
bonds (distance) C4'-P energy: -75.502
bonds (distance) P-C4' energy: -81.360
flat angles C4'-P-C4' energy: -89.469
flat angles P-C4'-P energy: -44.524
tors. eta vs tors. theta energy: -95.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1200.820965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.820965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.820965 (E_RNA)
where:
Base-Base interactions energy: -816.657
where: short stacking energy: -360.918
Base-Backbone interact. energy: 0.174
local terms energy: -384.338786
where:
bonds (distance) C4'-P energy: -64.221
bonds (distance) P-C4' energy: -82.565
flat angles C4'-P-C4' energy: -82.418
flat angles P-C4'-P energy: -57.198
tors. eta vs tors. theta energy: -97.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -706.238729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.238729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.238729 (E_RNA)
where:
Base-Base interactions energy: -387.968
where: short stacking energy: -180.468
Base-Backbone interact. energy: -1.666
local terms energy: -316.604636
where:
bonds (distance) C4'-P energy: -77.245
bonds (distance) P-C4' energy: -86.384
flat angles C4'-P-C4' energy: -78.610
flat angles P-C4'-P energy: -52.194
tors. eta vs tors. theta energy: -22.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1862.570623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.570623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.570623 (E_RNA)
where:
Base-Base interactions energy: -1297.565
where: short stacking energy: -530.826
Base-Backbone interact. energy: -2.731
local terms energy: -562.274178
where:
bonds (distance) C4'-P energy: -99.351
bonds (distance) P-C4' energy: -105.513
flat angles C4'-P-C4' energy: -119.550
flat angles P-C4'-P energy: -82.812
tors. eta vs tors. theta energy: -155.048
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: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1825.599637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.599637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.599637 (E_RNA)
where:
Base-Base interactions energy: -1273.599
where: short stacking energy: -526.356
Base-Backbone interact. energy: -1.432
local terms energy: -550.568454
where:
bonds (distance) C4'-P energy: -85.944
bonds (distance) P-C4' energy: -106.853
flat angles C4'-P-C4' energy: -115.023
flat angles P-C4'-P energy: -79.009
tors. eta vs tors. theta energy: -163.739
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: 3, replica: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1775.996528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.996528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.996528 (E_RNA)
where:
Base-Base interactions energy: -1246.327
where: short stacking energy: -518.996
Base-Backbone interact. energy: -3.235
local terms energy: -526.433814
where:
bonds (distance) C4'-P energy: -87.378
bonds (distance) P-C4' energy: -103.251
flat angles C4'-P-C4' energy: -113.469
flat angles P-C4'-P energy: -76.672
tors. eta vs tors. theta energy: -145.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1653.976060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.976060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.976060 (E_RNA)
where:
Base-Base interactions energy: -1160.756
where: short stacking energy: -487.267
Base-Backbone interact. energy: -3.423
local terms energy: -489.796648
where:
bonds (distance) C4'-P energy: -93.480
bonds (distance) P-C4' energy: -94.534
flat angles C4'-P-C4' energy: -104.544
flat angles P-C4'-P energy: -63.256
tors. eta vs tors. theta energy: -133.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1660.456168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.456168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.456168 (E_RNA)
where:
Base-Base interactions energy: -1203.092
where: short stacking energy: -483.062
Base-Backbone interact. energy: -0.823
local terms energy: -456.540525
where:
bonds (distance) C4'-P energy: -82.643
bonds (distance) P-C4' energy: -75.312
flat angles C4'-P-C4' energy: -86.681
flat angles P-C4'-P energy: -71.399
tors. eta vs tors. theta energy: -140.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1541.964055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.964055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.964055 (E_RNA)
where:
Base-Base interactions energy: -1056.585
where: short stacking energy: -411.014
Base-Backbone interact. energy: -2.399
local terms energy: -482.979801
where:
bonds (distance) C4'-P energy: -93.980
bonds (distance) P-C4' energy: -97.040
flat angles C4'-P-C4' energy: -91.326
flat angles P-C4'-P energy: -80.223
tors. eta vs tors. theta energy: -120.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1309.664023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.664023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.664023 (E_RNA)
where:
Base-Base interactions energy: -896.925
where: short stacking energy: -389.289
Base-Backbone interact. energy: 3.432
local terms energy: -416.170553
where:
bonds (distance) C4'-P energy: -73.539
bonds (distance) P-C4' energy: -85.221
flat angles C4'-P-C4' energy: -106.037
flat angles P-C4'-P energy: -54.016
tors. eta vs tors. theta energy: -97.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1329.230158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.230158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.230158 (E_RNA)
where:
Base-Base interactions energy: -915.582
where: short stacking energy: -381.972
Base-Backbone interact. energy: 0.114
local terms energy: -413.762235
where:
bonds (distance) C4'-P energy: -73.977
bonds (distance) P-C4' energy: -93.017
flat angles C4'-P-C4' energy: -95.134
flat angles P-C4'-P energy: -49.220
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: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1177.490617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.490617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.490617 (E_RNA)
where:
Base-Base interactions energy: -802.819
where: short stacking energy: -331.338
Base-Backbone interact. energy: 3.874
local terms energy: -378.545731
where:
bonds (distance) C4'-P energy: -68.789
bonds (distance) P-C4' energy: -85.937
flat angles C4'-P-C4' energy: -82.198
flat angles P-C4'-P energy: -61.911
tors. eta vs tors. theta energy: -79.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -723.747640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.747640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.747640 (E_RNA)
where:
Base-Base interactions energy: -438.294
where: short stacking energy: -203.504
Base-Backbone interact. energy: 0.470
local terms energy: -285.923642
where:
bonds (distance) C4'-P energy: -85.136
bonds (distance) P-C4' energy: -82.856
flat angles C4'-P-C4' energy: -61.908
flat angles P-C4'-P energy: -39.758
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1844.472893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.472893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.472893 (E_RNA)
where:
Base-Base interactions energy: -1299.755
where: short stacking energy: -537.279
Base-Backbone interact. energy: -2.975
local terms energy: -541.742879
where:
bonds (distance) C4'-P energy: -100.698
bonds (distance) P-C4' energy: -92.500
flat angles C4'-P-C4' energy: -110.566
flat angles P-C4'-P energy: -83.288
tors. eta vs tors. theta energy: -154.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1822.582124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.582124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.582124 (E_RNA)
where:
Base-Base interactions energy: -1272.779
where: short stacking energy: -543.677
Base-Backbone interact. energy: -0.424
local terms energy: -549.379015
where:
bonds (distance) C4'-P energy: -103.958
bonds (distance) P-C4' energy: -98.220
flat angles C4'-P-C4' energy: -115.687
flat angles P-C4'-P energy: -77.832
tors. eta vs tors. theta energy: -153.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1780.670187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.670187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.670187 (E_RNA)
where:
Base-Base interactions energy: -1253.197
where: short stacking energy: -534.864
Base-Backbone interact. energy: 0.197
local terms energy: -527.669578
where:
bonds (distance) C4'-P energy: -94.687
bonds (distance) P-C4' energy: -91.082
flat angles C4'-P-C4' energy: -113.117
flat angles P-C4'-P energy: -75.683
tors. eta vs tors. theta energy: -153.101
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: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1654.339876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.339876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.339876 (E_RNA)
where:
Base-Base interactions energy: -1143.960
where: short stacking energy: -475.901
Base-Backbone interact. energy: 0.147
local terms energy: -510.526070
where:
bonds (distance) C4'-P energy: -90.757
bonds (distance) P-C4' energy: -103.829
flat angles C4'-P-C4' energy: -104.810
flat angles P-C4'-P energy: -77.667
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: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1632.934921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.934921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.934921 (E_RNA)
where:
Base-Base interactions energy: -1153.076
where: short stacking energy: -461.608
Base-Backbone interact. energy: -2.690
local terms energy: -477.168501
where:
bonds (distance) C4'-P energy: -74.564
bonds (distance) P-C4' energy: -89.440
flat angles C4'-P-C4' energy: -89.240
flat angles P-C4'-P energy: -81.864
tors. eta vs tors. theta energy: -142.061
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: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1497.827825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.827825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.827825 (E_RNA)
where:
Base-Base interactions energy: -1047.625
where: short stacking energy: -441.283
Base-Backbone interact. energy: -2.013
local terms energy: -448.189081
where:
bonds (distance) C4'-P energy: -89.402
bonds (distance) P-C4' energy: -85.199
flat angles C4'-P-C4' energy: -91.134
flat angles P-C4'-P energy: -65.311
tors. eta vs tors. theta energy: -117.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1305.353564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.353564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.353564 (E_RNA)
where:
Base-Base interactions energy: -884.336
where: short stacking energy: -372.293
Base-Backbone interact. energy: -3.137
local terms energy: -417.880102
where:
bonds (distance) C4'-P energy: -69.343
bonds (distance) P-C4' energy: -89.195
flat angles C4'-P-C4' energy: -98.753
flat angles P-C4'-P energy: -69.529
tors. eta vs tors. theta energy: -91.060
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: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1311.069516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.069516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.069516 (E_RNA)
where:
Base-Base interactions energy: -920.632
where: short stacking energy: -380.913
Base-Backbone interact. energy: -1.388
local terms energy: -389.049762
where:
bonds (distance) C4'-P energy: -69.162
bonds (distance) P-C4' energy: -73.499
flat angles C4'-P-C4' energy: -95.986
flat angles P-C4'-P energy: -57.101
tors. eta vs tors. theta energy: -93.302
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: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1170.864899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.864899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.864899 (E_RNA)
where:
Base-Base interactions energy: -812.054
where: short stacking energy: -355.326
Base-Backbone interact. energy: 0.545
local terms energy: -359.355838
where:
bonds (distance) C4'-P energy: -67.097
bonds (distance) P-C4' energy: -76.812
flat angles C4'-P-C4' energy: -83.610
flat angles P-C4'-P energy: -48.120
tors. eta vs tors. theta energy: -83.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -744.151420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.151420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.151420 (E_RNA)
where:
Base-Base interactions energy: -430.437
where: short stacking energy: -212.991
Base-Backbone interact. energy: 1.454
local terms energy: -315.168071
where:
bonds (distance) C4'-P energy: -87.847
bonds (distance) P-C4' energy: -72.960
flat angles C4'-P-C4' energy: -70.298
flat angles P-C4'-P energy: -47.981
tors. eta vs tors. theta energy: -36.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1852.391644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.391644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.391644 (E_RNA)
where:
Base-Base interactions energy: -1338.677
where: short stacking energy: -547.689
Base-Backbone interact. energy: 1.137
local terms energy: -514.852469
where:
bonds (distance) C4'-P energy: -92.604
bonds (distance) P-C4' energy: -82.659
flat angles C4'-P-C4' energy: -109.588
flat angles P-C4'-P energy: -75.159
tors. eta vs tors. theta energy: -154.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1826.379911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.379911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.379911 (E_RNA)
where:
Base-Base interactions energy: -1308.952
where: short stacking energy: -567.784
Base-Backbone interact. energy: -1.685
local terms energy: -515.742701
where:
bonds (distance) C4'-P energy: -90.905
bonds (distance) P-C4' energy: -92.120
flat angles C4'-P-C4' energy: -101.631
flat angles P-C4'-P energy: -76.619
tors. eta vs tors. theta energy: -154.468
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: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1754.149452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.149452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.149452 (E_RNA)
where:
Base-Base interactions energy: -1229.522
where: short stacking energy: -518.865
Base-Backbone interact. energy: 1.866
local terms energy: -526.492611
where:
bonds (distance) C4'-P energy: -104.284
bonds (distance) P-C4' energy: -95.786
flat angles C4'-P-C4' energy: -101.903
flat angles P-C4'-P energy: -74.395
tors. eta vs tors. theta energy: -150.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1688.827793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.827793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.827793 (E_RNA)
where:
Base-Base interactions energy: -1188.027
where: short stacking energy: -484.904
Base-Backbone interact. energy: 2.704
local terms energy: -503.505147
where:
bonds (distance) C4'-P energy: -87.368
bonds (distance) P-C4' energy: -97.804
flat angles C4'-P-C4' energy: -104.871
flat angles P-C4'-P energy: -62.603
tors. eta vs tors. theta energy: -150.859
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: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1610.587535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.587535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.587535 (E_RNA)
where:
Base-Base interactions energy: -1132.839
where: short stacking energy: -462.960
Base-Backbone interact. energy: -1.976
local terms energy: -475.772490
where:
bonds (distance) C4'-P energy: -76.094
bonds (distance) P-C4' energy: -87.246
flat angles C4'-P-C4' energy: -112.047
flat angles P-C4'-P energy: -65.751
tors. eta vs tors. theta energy: -134.634
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: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1497.352706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.352706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.352706 (E_RNA)
where:
Base-Base interactions energy: -1038.341
where: short stacking energy: -431.543
Base-Backbone interact. energy: -2.321
local terms energy: -456.691051
where:
bonds (distance) C4'-P energy: -82.042
bonds (distance) P-C4' energy: -85.098
flat angles C4'-P-C4' energy: -103.767
flat angles P-C4'-P energy: -59.201
tors. eta vs tors. theta energy: -126.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1385.092904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.092904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.092904 (E_RNA)
where:
Base-Base interactions energy: -956.116
where: short stacking energy: -394.042
Base-Backbone interact. energy: -3.187
local terms energy: -425.789748
where:
bonds (distance) C4'-P energy: -69.654
bonds (distance) P-C4' energy: -85.670
flat angles C4'-P-C4' energy: -110.129
flat angles P-C4'-P energy: -64.915
tors. eta vs tors. theta energy: -95.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1278.298789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.298789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.298789 (E_RNA)
where:
Base-Base interactions energy: -875.582
where: short stacking energy: -385.626
Base-Backbone interact. energy: -1.637
local terms energy: -401.079466
where:
bonds (distance) C4'-P energy: -83.945
bonds (distance) P-C4' energy: -66.937
flat angles C4'-P-C4' energy: -97.159
flat angles P-C4'-P energy: -51.207
tors. eta vs tors. theta energy: -101.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1170.908143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.908143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.908143 (E_RNA)
where:
Base-Base interactions energy: -764.945
where: short stacking energy: -326.696
Base-Backbone interact. energy: -2.388
local terms energy: -403.575200
where:
bonds (distance) C4'-P energy: -81.170
bonds (distance) P-C4' energy: -98.606
flat angles C4'-P-C4' energy: -96.880
flat angles P-C4'-P energy: -45.301
tors. eta vs tors. theta energy: -81.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -712.344650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.344650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.344650 (E_RNA)
where:
Base-Base interactions energy: -416.912
where: short stacking energy: -192.447
Base-Backbone interact. energy: 2.501
local terms energy: -297.934004
where:
bonds (distance) C4'-P energy: -69.740
bonds (distance) P-C4' energy: -79.500
flat angles C4'-P-C4' energy: -77.098
flat angles P-C4'-P energy: -46.271
tors. eta vs tors. theta energy: -25.326
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: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1849.902186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.902186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.902186 (E_RNA)
where:
Base-Base interactions energy: -1294.789
where: short stacking energy: -523.483
Base-Backbone interact. energy: -1.783
local terms energy: -553.330107
where:
bonds (distance) C4'-P energy: -102.767
bonds (distance) P-C4' energy: -99.556
flat angles C4'-P-C4' energy: -113.179
flat angles P-C4'-P energy: -79.645
tors. eta vs tors. theta energy: -158.183
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: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1821.091980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.091980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.091980 (E_RNA)
where:
Base-Base interactions energy: -1278.865
where: short stacking energy: -556.112
Base-Backbone interact. energy: -2.431
local terms energy: -539.795203
where:
bonds (distance) C4'-P energy: -97.243
bonds (distance) P-C4' energy: -103.351
flat angles C4'-P-C4' energy: -106.531
flat angles P-C4'-P energy: -78.407
tors. eta vs tors. theta energy: -154.263
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: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1801.765146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.765146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.765146 (E_RNA)
where:
Base-Base interactions energy: -1283.339
where: short stacking energy: -551.841
Base-Backbone interact. energy: -1.596
local terms energy: -516.830617
where:
bonds (distance) C4'-P energy: -82.756
bonds (distance) P-C4' energy: -90.388
flat angles C4'-P-C4' energy: -113.733
flat angles P-C4'-P energy: -69.290
tors. eta vs tors. theta energy: -160.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1662.533231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.533231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.533231 (E_RNA)
where:
Base-Base interactions energy: -1160.898
where: short stacking energy: -488.518
Base-Backbone interact. energy: 1.591
local terms energy: -503.226402
where:
bonds (distance) C4'-P energy: -78.662
bonds (distance) P-C4' energy: -94.898
flat angles C4'-P-C4' energy: -102.494
flat angles P-C4'-P energy: -78.029
tors. eta vs tors. theta energy: -149.143
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: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1638.081692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.081692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.081692 (E_RNA)
where:
Base-Base interactions energy: -1149.860
where: short stacking energy: -472.241
Base-Backbone interact. energy: -2.199
local terms energy: -486.023012
where:
bonds (distance) C4'-P energy: -92.181
bonds (distance) P-C4' energy: -102.729
flat angles C4'-P-C4' energy: -103.424
flat angles P-C4'-P energy: -54.769
tors. eta vs tors. theta energy: -132.920
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: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1482.922250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.922250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.922250 (E_RNA)
where:
Base-Base interactions energy: -1029.044
where: short stacking energy: -429.577
Base-Backbone interact. energy: 0.103
local terms energy: -453.981596
where:
bonds (distance) C4'-P energy: -83.191
bonds (distance) P-C4' energy: -91.739
flat angles C4'-P-C4' energy: -93.007
flat angles P-C4'-P energy: -75.730
tors. eta vs tors. theta energy: -110.314
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: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1392.887075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.887075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.887075 (E_RNA)
where:
Base-Base interactions energy: -955.777
where: short stacking energy: -386.363
Base-Backbone interact. energy: -1.413
local terms energy: -435.697252
where:
bonds (distance) C4'-P energy: -78.633
bonds (distance) P-C4' energy: -89.908
flat angles C4'-P-C4' energy: -100.872
flat angles P-C4'-P energy: -54.522
tors. eta vs tors. theta energy: -111.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1221.534581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.534581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.534581 (E_RNA)
where:
Base-Base interactions energy: -817.792
where: short stacking energy: -349.973
Base-Backbone interact. energy: 0.821
local terms energy: -404.564368
where:
bonds (distance) C4'-P energy: -84.638
bonds (distance) P-C4' energy: -90.353
flat angles C4'-P-C4' energy: -84.715
flat angles P-C4'-P energy: -55.177
tors. eta vs tors. theta energy: -89.683
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: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1131.360264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.360264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.360264 (E_RNA)
where:
Base-Base interactions energy: -761.250
where: short stacking energy: -315.017
Base-Backbone interact. energy: 0.321
local terms energy: -370.431852
where:
bonds (distance) C4'-P energy: -79.829
bonds (distance) P-C4' energy: -83.591
flat angles C4'-P-C4' energy: -88.126
flat angles P-C4'-P energy: -51.581
tors. eta vs tors. theta energy: -67.306
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: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -746.302624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.302624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.302624 (E_RNA)
where:
Base-Base interactions energy: -445.126
where: short stacking energy: -225.602
Base-Backbone interact. energy: 0.343
local terms energy: -301.519640
where:
bonds (distance) C4'-P energy: -79.858
bonds (distance) P-C4' energy: -75.477
flat angles C4'-P-C4' energy: -77.296
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: -28.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1854.281248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.281248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.281248 (E_RNA)
where:
Base-Base interactions energy: -1306.237
where: short stacking energy: -534.397
Base-Backbone interact. energy: -1.924
local terms energy: -546.120203
where:
bonds (distance) C4'-P energy: -102.233
bonds (distance) P-C4' energy: -105.522
flat angles C4'-P-C4' energy: -110.452
flat angles P-C4'-P energy: -76.389
tors. eta vs tors. theta energy: -151.524
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: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1788.876211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.876211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.876211 (E_RNA)
where:
Base-Base interactions energy: -1265.015
where: short stacking energy: -543.678
Base-Backbone interact. energy: -3.373
local terms energy: -520.487803
where:
bonds (distance) C4'-P energy: -103.865
bonds (distance) P-C4' energy: -85.698
flat angles C4'-P-C4' energy: -98.748
flat angles P-C4'-P energy: -76.527
tors. eta vs tors. theta energy: -155.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1752.475975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.475975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.475975 (E_RNA)
where:
Base-Base interactions energy: -1226.240
where: short stacking energy: -526.707
Base-Backbone interact. energy: -2.311
local terms energy: -523.924562
where:
bonds (distance) C4'-P energy: -96.557
bonds (distance) P-C4' energy: -91.616
flat angles C4'-P-C4' energy: -104.774
flat angles P-C4'-P energy: -72.063
tors. eta vs tors. theta energy: -158.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1657.414465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.414465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.414465 (E_RNA)
where:
Base-Base interactions energy: -1156.374
where: short stacking energy: -484.426
Base-Backbone interact. energy: -0.557
local terms energy: -500.484035
where:
bonds (distance) C4'-P energy: -86.141
bonds (distance) P-C4' energy: -97.909
flat angles C4'-P-C4' energy: -107.509
flat angles P-C4'-P energy: -69.320
tors. eta vs tors. theta energy: -139.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1623.739284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.739284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.739284 (E_RNA)
where:
Base-Base interactions energy: -1138.567
where: short stacking energy: -451.876
Base-Backbone interact. energy: -1.216
local terms energy: -483.956856
where:
bonds (distance) C4'-P energy: -103.996
bonds (distance) P-C4' energy: -89.926
flat angles C4'-P-C4' energy: -91.868
flat angles P-C4'-P energy: -63.991
tors. eta vs tors. theta energy: -134.175
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: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1497.890081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.890081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.890081 (E_RNA)
where:
Base-Base interactions energy: -1052.330
where: short stacking energy: -437.510
Base-Backbone interact. energy: -2.388
local terms energy: -443.172307
where:
bonds (distance) C4'-P energy: -79.421
bonds (distance) P-C4' energy: -97.307
flat angles C4'-P-C4' energy: -87.363
flat angles P-C4'-P energy: -68.786
tors. eta vs tors. theta energy: -110.295
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: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1388.045472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.045472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.045472 (E_RNA)
where:
Base-Base interactions energy: -981.661
where: short stacking energy: -382.158
Base-Backbone interact. energy: -2.369
local terms energy: -404.016332
where:
bonds (distance) C4'-P energy: -84.925
bonds (distance) P-C4' energy: -65.689
flat angles C4'-P-C4' energy: -92.330
flat angles P-C4'-P energy: -68.491
tors. eta vs tors. theta energy: -92.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1279.474913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.474913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.474913 (E_RNA)
where:
Base-Base interactions energy: -875.210
where: short stacking energy: -349.199
Base-Backbone interact. energy: -2.302
local terms energy: -401.962843
where:
bonds (distance) C4'-P energy: -85.501
bonds (distance) P-C4' energy: -87.529
flat angles C4'-P-C4' energy: -79.045
flat angles P-C4'-P energy: -61.435
tors. eta vs tors. theta energy: -88.453
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: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1150.141953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.141953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.141953 (E_RNA)
where:
Base-Base interactions energy: -776.838
where: short stacking energy: -346.203
Base-Backbone interact. energy: -0.104
local terms energy: -373.200134
where:
bonds (distance) C4'-P energy: -64.771
bonds (distance) P-C4' energy: -81.691
flat angles C4'-P-C4' energy: -85.019
flat angles P-C4'-P energy: -60.167
tors. eta vs tors. theta energy: -81.551
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: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -710.641008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.641008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.641008 (E_RNA)
where:
Base-Base interactions energy: -383.592
where: short stacking energy: -199.955
Base-Backbone interact. energy: -0.831
local terms energy: -326.218340
where:
bonds (distance) C4'-P energy: -78.897
bonds (distance) P-C4' energy: -88.064
flat angles C4'-P-C4' energy: -83.195
flat angles P-C4'-P energy: -57.434
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1840.460974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.460974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.460974 (E_RNA)
where:
Base-Base interactions energy: -1300.014
where: short stacking energy: -553.212
Base-Backbone interact. energy: -1.352
local terms energy: -539.094661
where:
bonds (distance) C4'-P energy: -96.282
bonds (distance) P-C4' energy: -80.525
flat angles C4'-P-C4' energy: -112.902
flat angles P-C4'-P energy: -89.417
tors. eta vs tors. theta energy: -159.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1786.627980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.627980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.627980 (E_RNA)
where:
Base-Base interactions energy: -1267.225
where: short stacking energy: -528.062
Base-Backbone interact. energy: -1.587
local terms energy: -517.815626
where:
bonds (distance) C4'-P energy: -86.085
bonds (distance) P-C4' energy: -87.712
flat angles C4'-P-C4' energy: -111.722
flat angles P-C4'-P energy: -76.494
tors. eta vs tors. theta energy: -155.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1757.334245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.334245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.334245 (E_RNA)
where:
Base-Base interactions energy: -1233.276
where: short stacking energy: -516.232
Base-Backbone interact. energy: -0.809
local terms energy: -523.249128
where:
bonds (distance) C4'-P energy: -93.665
bonds (distance) P-C4' energy: -88.031
flat angles C4'-P-C4' energy: -104.422
flat angles P-C4'-P energy: -78.511
tors. eta vs tors. theta energy: -158.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1679.869285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.869285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.869285 (E_RNA)
where:
Base-Base interactions energy: -1168.225
where: short stacking energy: -505.690
Base-Backbone interact. energy: -3.206
local terms energy: -508.438278
where:
bonds (distance) C4'-P energy: -85.172
bonds (distance) P-C4' energy: -94.638
flat angles C4'-P-C4' energy: -101.368
flat angles P-C4'-P energy: -72.177
tors. eta vs tors. theta energy: -155.083
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: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1666.934912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.934912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.934912 (E_RNA)
where:
Base-Base interactions energy: -1194.934
where: short stacking energy: -504.950
Base-Backbone interact. energy: 2.154
local terms energy: -474.155210
where:
bonds (distance) C4'-P energy: -87.386
bonds (distance) P-C4' energy: -80.962
flat angles C4'-P-C4' energy: -108.549
flat angles P-C4'-P energy: -53.264
tors. eta vs tors. theta energy: -143.995
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: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1516.171604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.171604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.171604 (E_RNA)
where:
Base-Base interactions energy: -1070.359
where: short stacking energy: -436.062
Base-Backbone interact. energy: -0.618
local terms energy: -445.194578
where:
bonds (distance) C4'-P energy: -83.179
bonds (distance) P-C4' energy: -78.501
flat angles C4'-P-C4' energy: -96.821
flat angles P-C4'-P energy: -70.545
tors. eta vs tors. theta energy: -116.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1361.108457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.108457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.108457 (E_RNA)
where:
Base-Base interactions energy: -936.223
where: short stacking energy: -406.137
Base-Backbone interact. energy: -0.819
local terms energy: -424.066625
where:
bonds (distance) C4'-P energy: -83.136
bonds (distance) P-C4' energy: -83.307
flat angles C4'-P-C4' energy: -94.241
flat angles P-C4'-P energy: -51.081
tors. eta vs tors. theta energy: -112.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1311.389825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.389825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.389825 (E_RNA)
where:
Base-Base interactions energy: -913.831
where: short stacking energy: -385.122
Base-Backbone interact. energy: 3.786
local terms energy: -401.344700
where:
bonds (distance) C4'-P energy: -72.732
bonds (distance) P-C4' energy: -77.302
flat angles C4'-P-C4' energy: -95.248
flat angles P-C4'-P energy: -53.706
tors. eta vs tors. theta energy: -102.356
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: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1099.543174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.543174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.543174 (E_RNA)
where:
Base-Base interactions energy: -754.445
where: short stacking energy: -321.449
Base-Backbone interact. energy: 0.020
local terms energy: -345.117920
where:
bonds (distance) C4'-P energy: -76.143
bonds (distance) P-C4' energy: -64.901
flat angles C4'-P-C4' energy: -77.537
flat angles P-C4'-P energy: -52.607
tors. eta vs tors. theta energy: -73.930
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: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -707.286139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.286139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.286139 (E_RNA)
where:
Base-Base interactions energy: -419.846
where: short stacking energy: -196.606
Base-Backbone interact. energy: -0.468
local terms energy: -286.971807
where:
bonds (distance) C4'-P energy: -69.068
bonds (distance) P-C4' energy: -72.095
flat angles C4'-P-C4' energy: -77.692
flat angles P-C4'-P energy: -49.419
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1837.310749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.310749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.310749 (E_RNA)
where:
Base-Base interactions energy: -1298.341
where: short stacking energy: -554.513
Base-Backbone interact. energy: -1.303
local terms energy: -537.667606
where:
bonds (distance) C4'-P energy: -87.230
bonds (distance) P-C4' energy: -92.973
flat angles C4'-P-C4' energy: -116.529
flat angles P-C4'-P energy: -86.658
tors. eta vs tors. theta energy: -154.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1799.708277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.708277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.708277 (E_RNA)
where:
Base-Base interactions energy: -1269.267
where: short stacking energy: -538.105
Base-Backbone interact. energy: -2.193
local terms energy: -528.248780
where:
bonds (distance) C4'-P energy: -88.427
bonds (distance) P-C4' energy: -90.851
flat angles C4'-P-C4' energy: -117.940
flat angles P-C4'-P energy: -75.785
tors. eta vs tors. theta energy: -155.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1763.613773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.613773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.613773 (E_RNA)
where:
Base-Base interactions energy: -1228.675
where: short stacking energy: -507.506
Base-Backbone interact. energy: -0.304
local terms energy: -534.634895
where:
bonds (distance) C4'-P energy: -86.184
bonds (distance) P-C4' energy: -104.114
flat angles C4'-P-C4' energy: -112.345
flat angles P-C4'-P energy: -77.032
tors. eta vs tors. theta energy: -154.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1659.398869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.398869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.398869 (E_RNA)
where:
Base-Base interactions energy: -1172.059
where: short stacking energy: -483.389
Base-Backbone interact. energy: -0.890
local terms energy: -486.450344
where:
bonds (distance) C4'-P energy: -82.822
bonds (distance) P-C4' energy: -90.626
flat angles C4'-P-C4' energy: -100.051
flat angles P-C4'-P energy: -73.496
tors. eta vs tors. theta energy: -139.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1642.556424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.556424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.556424 (E_RNA)
where:
Base-Base interactions energy: -1151.194
where: short stacking energy: -477.443
Base-Backbone interact. energy: -0.259
local terms energy: -491.103932
where:
bonds (distance) C4'-P energy: -86.542
bonds (distance) P-C4' energy: -86.401
flat angles C4'-P-C4' energy: -110.162
flat angles P-C4'-P energy: -65.144
tors. eta vs tors. theta energy: -142.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1533.535099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.535099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.535099 (E_RNA)
where:
Base-Base interactions energy: -1115.435
where: short stacking energy: -433.455
Base-Backbone interact. energy: 2.558
local terms energy: -420.658245
where:
bonds (distance) C4'-P energy: -72.751
bonds (distance) P-C4' energy: -82.111
flat angles C4'-P-C4' energy: -89.405
flat angles P-C4'-P energy: -56.263
tors. eta vs tors. theta energy: -120.129
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: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1336.521078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.521078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.521078 (E_RNA)
where:
Base-Base interactions energy: -915.090
where: short stacking energy: -383.601
Base-Backbone interact. energy: 0.102
local terms energy: -421.533690
where:
bonds (distance) C4'-P energy: -81.949
bonds (distance) P-C4' energy: -90.769
flat angles C4'-P-C4' energy: -90.633
flat angles P-C4'-P energy: -53.089
tors. eta vs tors. theta energy: -105.094
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: 117
Temperature: 1.250000
Total energy: -1308.683771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.683771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.683771 (E_RNA)
where:
Base-Base interactions energy: -893.271
where: short stacking energy: -372.875
Base-Backbone interact. energy: -1.842
local terms energy: -413.570433
where:
bonds (distance) C4'-P energy: -78.627
bonds (distance) P-C4' energy: -80.313
flat angles C4'-P-C4' energy: -93.673
flat angles P-C4'-P energy: -62.839
tors. eta vs tors. theta energy: -98.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1100.836128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.836128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.836128 (E_RNA)
where:
Base-Base interactions energy: -721.072
where: short stacking energy: -310.664
Base-Backbone interact. energy: -0.312
local terms energy: -379.452422
where:
bonds (distance) C4'-P energy: -90.432
bonds (distance) P-C4' energy: -87.392
flat angles C4'-P-C4' energy: -76.008
flat angles P-C4'-P energy: -66.965
tors. eta vs tors. theta energy: -58.656
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: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -705.551050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.551050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.551050 (E_RNA)
where:
Base-Base interactions energy: -396.514
where: short stacking energy: -190.816
Base-Backbone interact. energy: -1.366
local terms energy: -307.670992
where:
bonds (distance) C4'-P energy: -72.487
bonds (distance) P-C4' energy: -90.657
flat angles C4'-P-C4' energy: -85.539
flat angles P-C4'-P energy: -45.330
tors. eta vs tors. theta energy: -13.658
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: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1847.073109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.073109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.073109 (E_RNA)
where:
Base-Base interactions energy: -1291.791
where: short stacking energy: -527.592
Base-Backbone interact. energy: -0.958
local terms energy: -554.324746
where:
bonds (distance) C4'-P energy: -105.195
bonds (distance) P-C4' energy: -100.795
flat angles C4'-P-C4' energy: -108.876
flat angles P-C4'-P energy: -82.871
tors. eta vs tors. theta energy: -156.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1812.091143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.091143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.091143 (E_RNA)
where:
Base-Base interactions energy: -1283.682
where: short stacking energy: -549.860
Base-Backbone interact. energy: 0.255
local terms energy: -528.663665
where:
bonds (distance) C4'-P energy: -80.805
bonds (distance) P-C4' energy: -99.793
flat angles C4'-P-C4' energy: -114.018
flat angles P-C4'-P energy: -77.535
tors. eta vs tors. theta energy: -156.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1760.826805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.826805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.826805 (E_RNA)
where:
Base-Base interactions energy: -1260.527
where: short stacking energy: -493.832
Base-Backbone interact. energy: -2.079
local terms energy: -498.220617
where:
bonds (distance) C4'-P energy: -92.758
bonds (distance) P-C4' energy: -94.970
flat angles C4'-P-C4' energy: -99.769
flat angles P-C4'-P energy: -65.590
tors. eta vs tors. theta energy: -145.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1707.859683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.859683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.859683 (E_RNA)
where:
Base-Base interactions energy: -1214.835
where: short stacking energy: -506.129
Base-Backbone interact. energy: -3.791
local terms energy: -489.233744
where:
bonds (distance) C4'-P energy: -83.664
bonds (distance) P-C4' energy: -83.890
flat angles C4'-P-C4' energy: -108.127
flat angles P-C4'-P energy: -65.440
tors. eta vs tors. theta energy: -148.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1660.520918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.520918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.520918 (E_RNA)
where:
Base-Base interactions energy: -1177.147
where: short stacking energy: -502.119
Base-Backbone interact. energy: 0.069
local terms energy: -483.443199
where:
bonds (distance) C4'-P energy: -80.240
bonds (distance) P-C4' energy: -98.720
flat angles C4'-P-C4' energy: -97.329
flat angles P-C4'-P energy: -66.307
tors. eta vs tors. theta energy: -140.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1534.022914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.022914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.022914 (E_RNA)
where:
Base-Base interactions energy: -1085.178
where: short stacking energy: -422.699
Base-Backbone interact. energy: -0.487
local terms energy: -448.357245
where:
bonds (distance) C4'-P energy: -88.196
bonds (distance) P-C4' energy: -89.595
flat angles C4'-P-C4' energy: -96.053
flat angles P-C4'-P energy: -59.432
tors. eta vs tors. theta energy: -115.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1340.656536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.656536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.656536 (E_RNA)
where:
Base-Base interactions energy: -936.769
where: short stacking energy: -383.981
Base-Backbone interact. energy: -2.167
local terms energy: -401.721175
where:
bonds (distance) C4'-P energy: -57.010
bonds (distance) P-C4' energy: -92.858
flat angles C4'-P-C4' energy: -100.540
flat angles P-C4'-P energy: -50.132
tors. eta vs tors. theta energy: -101.181
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: 3
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1322.101557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.101557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.101557 (E_RNA)
where:
Base-Base interactions energy: -926.456
where: short stacking energy: -390.818
Base-Backbone interact. energy: -2.291
local terms energy: -393.354384
where:
bonds (distance) C4'-P energy: -74.517
bonds (distance) P-C4' energy: -77.716
flat angles C4'-P-C4' energy: -89.936
flat angles P-C4'-P energy: -50.563
tors. eta vs tors. theta energy: -100.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1056.137910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.137910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.137910 (E_RNA)
where:
Base-Base interactions energy: -689.506
where: short stacking energy: -296.597
Base-Backbone interact. energy: -2.703
local terms energy: -363.929516
where:
bonds (distance) C4'-P energy: -72.526
bonds (distance) P-C4' energy: -75.166
flat angles C4'-P-C4' energy: -85.727
flat angles P-C4'-P energy: -57.656
tors. eta vs tors. theta energy: -72.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -698.805021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.805021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.805021 (E_RNA)
where:
Base-Base interactions energy: -385.691
where: short stacking energy: -194.733
Base-Backbone interact. energy: 1.105
local terms energy: -314.218373
where:
bonds (distance) C4'-P energy: -62.948
bonds (distance) P-C4' energy: -96.987
flat angles C4'-P-C4' energy: -72.997
flat angles P-C4'-P energy: -51.244
tors. eta vs tors. theta energy: -30.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1855.514802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.514802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.514802 (E_RNA)
where:
Base-Base interactions energy: -1311.262
where: short stacking energy: -559.587
Base-Backbone interact. energy: -0.542
local terms energy: -543.710370
where:
bonds (distance) C4'-P energy: -102.249
bonds (distance) P-C4' energy: -107.145
flat angles C4'-P-C4' energy: -105.002
flat angles P-C4'-P energy: -73.477
tors. eta vs tors. theta energy: -155.837
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: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1801.773421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.773421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.773421 (E_RNA)
where:
Base-Base interactions energy: -1273.604
where: short stacking energy: -528.204
Base-Backbone interact. energy: -1.463
local terms energy: -526.706311
where:
bonds (distance) C4'-P energy: -91.770
bonds (distance) P-C4' energy: -90.736
flat angles C4'-P-C4' energy: -106.291
flat angles P-C4'-P energy: -77.980
tors. eta vs tors. theta energy: -159.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1783.640839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.640839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.640839 (E_RNA)
where:
Base-Base interactions energy: -1286.671
where: short stacking energy: -503.859
Base-Backbone interact. energy: 2.025
local terms energy: -498.994845
where:
bonds (distance) C4'-P energy: -87.935
bonds (distance) P-C4' energy: -94.631
flat angles C4'-P-C4' energy: -100.283
flat angles P-C4'-P energy: -72.267
tors. eta vs tors. theta energy: -143.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1677.581302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.581302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.581302 (E_RNA)
where:
Base-Base interactions energy: -1183.707
where: short stacking energy: -474.721
Base-Backbone interact. energy: 0.731
local terms energy: -494.604889
where:
bonds (distance) C4'-P energy: -87.777
bonds (distance) P-C4' energy: -94.616
flat angles C4'-P-C4' energy: -104.654
flat angles P-C4'-P energy: -70.508
tors. eta vs tors. theta energy: -137.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1676.103956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.103956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.103956 (E_RNA)
where:
Base-Base interactions energy: -1180.063
where: short stacking energy: -489.976
Base-Backbone interact. energy: -0.278
local terms energy: -495.763259
where:
bonds (distance) C4'-P energy: -99.910
bonds (distance) P-C4' energy: -86.431
flat angles C4'-P-C4' energy: -104.008
flat angles P-C4'-P energy: -66.471
tors. eta vs tors. theta energy: -138.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1529.038033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.038033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.038033 (E_RNA)
where:
Base-Base interactions energy: -1078.766
where: short stacking energy: -435.971
Base-Backbone interact. energy: -1.312
local terms energy: -448.959988
where:
bonds (distance) C4'-P energy: -76.344
bonds (distance) P-C4' energy: -92.656
flat angles C4'-P-C4' energy: -98.621
flat angles P-C4'-P energy: -66.709
tors. eta vs tors. theta energy: -114.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1344.513649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.513649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.513649 (E_RNA)
where:
Base-Base interactions energy: -936.951
where: short stacking energy: -388.354
Base-Backbone interact. energy: -1.694
local terms energy: -405.867884
where:
bonds (distance) C4'-P energy: -80.361
bonds (distance) P-C4' energy: -82.479
flat angles C4'-P-C4' energy: -94.723
flat angles P-C4'-P energy: -42.456
tors. eta vs tors. theta energy: -105.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1325.734855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.734855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.734855 (E_RNA)
where:
Base-Base interactions energy: -936.062
where: short stacking energy: -374.495
Base-Backbone interact. energy: 4.050
local terms energy: -393.722790
where:
bonds (distance) C4'-P energy: -82.309
bonds (distance) P-C4' energy: -74.484
flat angles C4'-P-C4' energy: -97.644
flat angles P-C4'-P energy: -61.878
tors. eta vs tors. theta energy: -77.409
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: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1036.213795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.213795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.213795 (E_RNA)
where:
Base-Base interactions energy: -696.979
where: short stacking energy: -307.535
Base-Backbone interact. energy: 4.621
local terms energy: -343.856347
where:
bonds (distance) C4'-P energy: -70.725
bonds (distance) P-C4' energy: -83.234
flat angles C4'-P-C4' energy: -80.882
flat angles P-C4'-P energy: -50.738
tors. eta vs tors. theta energy: -58.278
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: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -708.232078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.232078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.232078 (E_RNA)
where:
Base-Base interactions energy: -405.229
where: short stacking energy: -189.799
Base-Backbone interact. energy: -0.169
local terms energy: -302.834405
where:
bonds (distance) C4'-P energy: -76.825
bonds (distance) P-C4' energy: -67.938
flat angles C4'-P-C4' energy: -78.328
flat angles P-C4'-P energy: -59.613
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1859.366363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.366363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.366363 (E_RNA)
where:
Base-Base interactions energy: -1310.172
where: short stacking energy: -542.388
Base-Backbone interact. energy: -2.141
local terms energy: -547.054012
where:
bonds (distance) C4'-P energy: -91.943
bonds (distance) P-C4' energy: -91.913
flat angles C4'-P-C4' energy: -120.368
flat angles P-C4'-P energy: -86.589
tors. eta vs tors. theta energy: -156.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1799.363428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.363428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.363428 (E_RNA)
where:
Base-Base interactions energy: -1271.543
where: short stacking energy: -533.168
Base-Backbone interact. energy: -2.857
local terms energy: -524.964278
where:
bonds (distance) C4'-P energy: -97.539
bonds (distance) P-C4' energy: -87.333
flat angles C4'-P-C4' energy: -103.929
flat angles P-C4'-P energy: -78.677
tors. eta vs tors. theta energy: -157.487
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: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1789.047628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.047628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.047628 (E_RNA)
where:
Base-Base interactions energy: -1280.952
where: short stacking energy: -506.185
Base-Backbone interact. energy: -0.643
local terms energy: -507.451795
where:
bonds (distance) C4'-P energy: -80.998
bonds (distance) P-C4' energy: -93.535
flat angles C4'-P-C4' energy: -109.837
flat angles P-C4'-P energy: -74.951
tors. eta vs tors. theta energy: -148.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1682.960545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.960545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.960545 (E_RNA)
where:
Base-Base interactions energy: -1191.568
where: short stacking energy: -509.721
Base-Backbone interact. energy: -2.163
local terms energy: -489.229976
where:
bonds (distance) C4'-P energy: -80.578
bonds (distance) P-C4' energy: -99.368
flat angles C4'-P-C4' energy: -102.148
flat angles P-C4'-P energy: -61.748
tors. eta vs tors. theta energy: -145.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1646.652373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.652373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.652373 (E_RNA)
where:
Base-Base interactions energy: -1158.404
where: short stacking energy: -480.272
Base-Backbone interact. energy: -0.028
local terms energy: -488.220434
where:
bonds (distance) C4'-P energy: -87.167
bonds (distance) P-C4' energy: -96.405
flat angles C4'-P-C4' energy: -93.296
flat angles P-C4'-P energy: -71.722
tors. eta vs tors. theta energy: -139.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1557.992396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.992396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.992396 (E_RNA)
where:
Base-Base interactions energy: -1094.479
where: short stacking energy: -437.698
Base-Backbone interact. energy: -1.233
local terms energy: -462.280146
where:
bonds (distance) C4'-P energy: -90.121
bonds (distance) P-C4' energy: -75.221
flat angles C4'-P-C4' energy: -101.750
flat angles P-C4'-P energy: -75.449
tors. eta vs tors. theta energy: -119.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1348.465639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.465639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.465639 (E_RNA)
where:
Base-Base interactions energy: -958.563
where: short stacking energy: -413.350
Base-Backbone interact. energy: -2.935
local terms energy: -386.967136
where:
bonds (distance) C4'-P energy: -54.198
bonds (distance) P-C4' energy: -72.059
flat angles C4'-P-C4' energy: -95.338
flat angles P-C4'-P energy: -49.983
tors. eta vs tors. theta energy: -115.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1286.206042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.206042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.206042 (E_RNA)
where:
Base-Base interactions energy: -897.686
where: short stacking energy: -386.022
Base-Backbone interact. energy: -1.031
local terms energy: -387.488448
where:
bonds (distance) C4'-P energy: -75.791
bonds (distance) P-C4' energy: -85.663
flat angles C4'-P-C4' energy: -79.734
flat angles P-C4'-P energy: -67.106
tors. eta vs tors. theta energy: -79.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1098.041705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.041705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.041705 (E_RNA)
where:
Base-Base interactions energy: -735.912
where: short stacking energy: -318.325
Base-Backbone interact. energy: -1.645
local terms energy: -360.484991
where:
bonds (distance) C4'-P energy: -70.080
bonds (distance) P-C4' energy: -73.754
flat angles C4'-P-C4' energy: -94.276
flat angles P-C4'-P energy: -49.535
tors. eta vs tors. theta energy: -72.840
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: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -674.524002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.524002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.524002 (E_RNA)
where:
Base-Base interactions energy: -393.652
where: short stacking energy: -192.716
Base-Backbone interact. energy: 0.851
local terms energy: -281.722355
where:
bonds (distance) C4'-P energy: -79.986
bonds (distance) P-C4' energy: -93.806
flat angles C4'-P-C4' energy: -55.663
flat angles P-C4'-P energy: -46.626
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1840.580935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.580935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.580935 (E_RNA)
where:
Base-Base interactions energy: -1299.814
where: short stacking energy: -533.872
Base-Backbone interact. energy: -0.772
local terms energy: -539.994703
where:
bonds (distance) C4'-P energy: -101.656
bonds (distance) P-C4' energy: -101.637
flat angles C4'-P-C4' energy: -102.358
flat angles P-C4'-P energy: -81.726
tors. eta vs tors. theta energy: -152.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1778.947943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.947943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.947943 (E_RNA)
where:
Base-Base interactions energy: -1257.289
where: short stacking energy: -522.781
Base-Backbone interact. energy: -3.539
local terms energy: -518.120178
where:
bonds (distance) C4'-P energy: -93.850
bonds (distance) P-C4' energy: -87.737
flat angles C4'-P-C4' energy: -111.852
flat angles P-C4'-P energy: -74.074
tors. eta vs tors. theta energy: -150.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1784.690572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.690572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.690572 (E_RNA)
where:
Base-Base interactions energy: -1272.610
where: short stacking energy: -514.682
Base-Backbone interact. energy: -0.021
local terms energy: -512.059516
where:
bonds (distance) C4'-P energy: -83.234
bonds (distance) P-C4' energy: -103.341
flat angles C4'-P-C4' energy: -106.886
flat angles P-C4'-P energy: -69.689
tors. eta vs tors. theta energy: -148.909
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: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1683.851280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.851280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.851280 (E_RNA)
where:
Base-Base interactions energy: -1194.282
where: short stacking energy: -486.435
Base-Backbone interact. energy: -2.185
local terms energy: -487.383930
where:
bonds (distance) C4'-P energy: -80.829
bonds (distance) P-C4' energy: -86.896
flat angles C4'-P-C4' energy: -107.580
flat angles P-C4'-P energy: -69.241
tors. eta vs tors. theta energy: -142.838
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: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1610.645853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.645853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.645853 (E_RNA)
where:
Base-Base interactions energy: -1164.863
where: short stacking energy: -469.147
Base-Backbone interact. energy: -1.608
local terms energy: -444.174846
where:
bonds (distance) C4'-P energy: -85.296
bonds (distance) P-C4' energy: -76.812
flat angles C4'-P-C4' energy: -98.787
flat angles P-C4'-P energy: -63.393
tors. eta vs tors. theta energy: -119.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1563.088038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.088038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.088038 (E_RNA)
where:
Base-Base interactions energy: -1089.262
where: short stacking energy: -448.484
Base-Backbone interact. energy: -0.325
local terms energy: -473.500536
where:
bonds (distance) C4'-P energy: -74.034
bonds (distance) P-C4' energy: -96.933
flat angles C4'-P-C4' energy: -100.741
flat angles P-C4'-P energy: -76.830
tors. eta vs tors. theta energy: -124.962
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: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1331.287637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.287637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.287637 (E_RNA)
where:
Base-Base interactions energy: -896.589
where: short stacking energy: -391.395
Base-Backbone interact. energy: -0.956
local terms energy: -433.741922
where:
bonds (distance) C4'-P energy: -82.356
bonds (distance) P-C4' energy: -78.664
flat angles C4'-P-C4' energy: -108.970
flat angles P-C4'-P energy: -64.429
tors. eta vs tors. theta energy: -99.323
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: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1259.687129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.687129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.687129 (E_RNA)
where:
Base-Base interactions energy: -868.057
where: short stacking energy: -360.094
Base-Backbone interact. energy: -1.198
local terms energy: -390.432048
where:
bonds (distance) C4'-P energy: -79.578
bonds (distance) P-C4' energy: -69.747
flat angles C4'-P-C4' energy: -89.403
flat angles P-C4'-P energy: -59.632
tors. eta vs tors. theta energy: -92.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1150.093019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.093019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.093019 (E_RNA)
where:
Base-Base interactions energy: -774.061
where: short stacking energy: -319.961
Base-Backbone interact. energy: -1.794
local terms energy: -374.237263
where:
bonds (distance) C4'-P energy: -73.356
bonds (distance) P-C4' energy: -79.126
flat angles C4'-P-C4' energy: -102.017
flat angles P-C4'-P energy: -44.406
tors. eta vs tors. theta energy: -75.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -705.058319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.058319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.058319 (E_RNA)
where:
Base-Base interactions energy: -411.923
where: short stacking energy: -195.085
Base-Backbone interact. energy: 5.334
local terms energy: -298.468724
where:
bonds (distance) C4'-P energy: -83.756
bonds (distance) P-C4' energy: -74.609
flat angles C4'-P-C4' energy: -65.897
flat angles P-C4'-P energy: -58.911
tors. eta vs tors. theta energy: -15.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1845.101396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.101396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.101396 (E_RNA)
where:
Base-Base interactions energy: -1305.503
where: short stacking energy: -536.258
Base-Backbone interact. energy: -3.334
local terms energy: -536.264432
where:
bonds (distance) C4'-P energy: -88.274
bonds (distance) P-C4' energy: -97.135
flat angles C4'-P-C4' energy: -116.850
flat angles P-C4'-P energy: -76.529
tors. eta vs tors. theta energy: -157.476
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: 2, replica: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1797.815866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.815866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.815866 (E_RNA)
where:
Base-Base interactions energy: -1266.261
where: short stacking energy: -541.020
Base-Backbone interact. energy: -4.133
local terms energy: -527.422235
where:
bonds (distance) C4'-P energy: -84.554
bonds (distance) P-C4' energy: -95.614
flat angles C4'-P-C4' energy: -111.952
flat angles P-C4'-P energy: -73.708
tors. eta vs tors. theta energy: -161.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1787.570522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.570522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.570522 (E_RNA)
where:
Base-Base interactions energy: -1282.362
where: short stacking energy: -524.677
Base-Backbone interact. energy: -2.347
local terms energy: -502.861867
where:
bonds (distance) C4'-P energy: -84.209
bonds (distance) P-C4' energy: -80.956
flat angles C4'-P-C4' energy: -110.051
flat angles P-C4'-P energy: -79.676
tors. eta vs tors. theta energy: -147.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1690.272394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.272394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.272394 (E_RNA)
where:
Base-Base interactions energy: -1191.241
where: short stacking energy: -497.341
Base-Backbone interact. energy: -2.020
local terms energy: -497.011807
where:
bonds (distance) C4'-P energy: -91.028
bonds (distance) P-C4' energy: -89.441
flat angles C4'-P-C4' energy: -102.228
flat angles P-C4'-P energy: -78.256
tors. eta vs tors. theta energy: -136.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1616.776110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.776110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.776110 (E_RNA)
where:
Base-Base interactions energy: -1143.853
where: short stacking energy: -466.534
Base-Backbone interact. energy: -1.365
local terms energy: -471.557196
where:
bonds (distance) C4'-P energy: -81.078
bonds (distance) P-C4' energy: -91.559
flat angles C4'-P-C4' energy: -93.119
flat angles P-C4'-P energy: -73.189
tors. eta vs tors. theta energy: -132.612
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: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1610.766039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.766039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.766039 (E_RNA)
where:
Base-Base interactions energy: -1143.355
where: short stacking energy: -480.294
Base-Backbone interact. energy: 5.370
local terms energy: -472.780549
where:
bonds (distance) C4'-P energy: -74.724
bonds (distance) P-C4' energy: -85.526
flat angles C4'-P-C4' energy: -109.390
flat angles P-C4'-P energy: -67.687
tors. eta vs tors. theta energy: -135.453
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: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1324.326335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.326335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.326335 (E_RNA)
where:
Base-Base interactions energy: -904.914
where: short stacking energy: -376.739
Base-Backbone interact. energy: -3.605
local terms energy: -415.807064
where:
bonds (distance) C4'-P energy: -95.876
bonds (distance) P-C4' energy: -73.410
flat angles C4'-P-C4' energy: -96.137
flat angles P-C4'-P energy: -53.514
tors. eta vs tors. theta energy: -96.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1251.012226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.012226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.012226 (E_RNA)
where:
Base-Base interactions energy: -854.223
where: short stacking energy: -360.030
Base-Backbone interact. energy: -0.576
local terms energy: -396.213381
where:
bonds (distance) C4'-P energy: -71.187
bonds (distance) P-C4' energy: -79.897
flat angles C4'-P-C4' energy: -92.304
flat angles P-C4'-P energy: -59.765
tors. eta vs tors. theta energy: -93.061
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: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1131.863904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.863904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.863904 (E_RNA)
where:
Base-Base interactions energy: -798.639
where: short stacking energy: -340.454
Base-Backbone interact. energy: -0.710
local terms energy: -332.514668
where:
bonds (distance) C4'-P energy: -76.696
bonds (distance) P-C4' energy: -60.407
flat angles C4'-P-C4' energy: -71.762
flat angles P-C4'-P energy: -41.035
tors. eta vs tors. theta energy: -82.615
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: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -710.042320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.042320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.042320 (E_RNA)
where:
Base-Base interactions energy: -447.372
where: short stacking energy: -234.201
Base-Backbone interact. energy: -2.430
local terms energy: -260.239923
where:
bonds (distance) C4'-P energy: -70.008
bonds (distance) P-C4' energy: -70.036
flat angles C4'-P-C4' energy: -73.804
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1844.395106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.395106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.395106 (E_RNA)
where:
Base-Base interactions energy: -1290.111
where: short stacking energy: -516.770
Base-Backbone interact. energy: -1.512
local terms energy: -552.772976
where:
bonds (distance) C4'-P energy: -98.937
bonds (distance) P-C4' energy: -100.858
flat angles C4'-P-C4' energy: -120.551
flat angles P-C4'-P energy: -77.489
tors. eta vs tors. theta energy: -154.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1807.541663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.541663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.541663 (E_RNA)
where:
Base-Base interactions energy: -1267.700
where: short stacking energy: -535.497
Base-Backbone interact. energy: 2.059
local terms energy: -541.900700
where:
bonds (distance) C4'-P energy: -93.847
bonds (distance) P-C4' energy: -106.864
flat angles C4'-P-C4' energy: -108.269
flat angles P-C4'-P energy: -82.859
tors. eta vs tors. theta energy: -150.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1764.570484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.570484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.570484 (E_RNA)
where:
Base-Base interactions energy: -1263.402
where: short stacking energy: -505.651
Base-Backbone interact. energy: -2.652
local terms energy: -498.516353
where:
bonds (distance) C4'-P energy: -92.459
bonds (distance) P-C4' energy: -98.644
flat angles C4'-P-C4' energy: -93.744
flat angles P-C4'-P energy: -71.603
tors. eta vs tors. theta energy: -142.066
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: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1695.568011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.568011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.568011 (E_RNA)
where:
Base-Base interactions energy: -1174.018
where: short stacking energy: -493.201
Base-Backbone interact. energy: -1.959
local terms energy: -519.591104
where:
bonds (distance) C4'-P energy: -94.684
bonds (distance) P-C4' energy: -93.493
flat angles C4'-P-C4' energy: -109.753
flat angles P-C4'-P energy: -80.889
tors. eta vs tors. theta energy: -140.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1583.742011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.742011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.742011 (E_RNA)
where:
Base-Base interactions energy: -1136.984
where: short stacking energy: -464.416
Base-Backbone interact. energy: -0.734
local terms energy: -446.024274
where:
bonds (distance) C4'-P energy: -73.853
bonds (distance) P-C4' energy: -92.636
flat angles C4'-P-C4' energy: -95.927
flat angles P-C4'-P energy: -58.502
tors. eta vs tors. theta energy: -125.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1611.910755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.910755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.910755 (E_RNA)
where:
Base-Base interactions energy: -1132.313
where: short stacking energy: -465.828
Base-Backbone interact. energy: 3.511
local terms energy: -483.108296
where:
bonds (distance) C4'-P energy: -90.661
bonds (distance) P-C4' energy: -88.009
flat angles C4'-P-C4' energy: -104.627
flat angles P-C4'-P energy: -73.877
tors. eta vs tors. theta energy: -125.935
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: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1412.415637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.415637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.415637 (E_RNA)
where:
Base-Base interactions energy: -971.056
where: short stacking energy: -396.608
Base-Backbone interact. energy: -1.693
local terms energy: -439.666811
where:
bonds (distance) C4'-P energy: -76.862
bonds (distance) P-C4' energy: -85.174
flat angles C4'-P-C4' energy: -107.857
flat angles P-C4'-P energy: -66.663
tors. eta vs tors. theta energy: -103.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1271.961056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.961056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.961056 (E_RNA)
where:
Base-Base interactions energy: -875.810
where: short stacking energy: -356.875
Base-Backbone interact. energy: -0.095
local terms energy: -396.055494
where:
bonds (distance) C4'-P energy: -74.864
bonds (distance) P-C4' energy: -78.943
flat angles C4'-P-C4' energy: -92.576
flat angles P-C4'-P energy: -55.557
tors. eta vs tors. theta energy: -94.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1215.341514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.341514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.341514 (E_RNA)
where:
Base-Base interactions energy: -815.556
where: short stacking energy: -359.478
Base-Backbone interact. energy: -3.166
local terms energy: -396.619365
where:
bonds (distance) C4'-P energy: -81.586
bonds (distance) P-C4' energy: -78.495
flat angles C4'-P-C4' energy: -80.984
flat angles P-C4'-P energy: -59.750
tors. eta vs tors. theta energy: -95.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -653.479630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.479630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.479630 (E_RNA)
where:
Base-Base interactions energy: -376.772
where: short stacking energy: -192.481
Base-Backbone interact. energy: 1.846
local terms energy: -278.554275
where:
bonds (distance) C4'-P energy: -96.154
bonds (distance) P-C4' energy: -65.809
flat angles C4'-P-C4' energy: -70.332
flat angles P-C4'-P energy: -36.574
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1844.157502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.157502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.157502 (E_RNA)
where:
Base-Base interactions energy: -1318.510
where: short stacking energy: -539.829
Base-Backbone interact. energy: -1.189
local terms energy: -524.458109
where:
bonds (distance) C4'-P energy: -89.000
bonds (distance) P-C4' energy: -82.317
flat angles C4'-P-C4' energy: -122.024
flat angles P-C4'-P energy: -73.467
tors. eta vs tors. theta energy: -157.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1786.652091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.652091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.652091 (E_RNA)
where:
Base-Base interactions energy: -1274.594
where: short stacking energy: -527.555
Base-Backbone interact. energy: 3.224
local terms energy: -515.282253
where:
bonds (distance) C4'-P energy: -91.051
bonds (distance) P-C4' energy: -95.588
flat angles C4'-P-C4' energy: -106.236
flat angles P-C4'-P energy: -76.354
tors. eta vs tors. theta energy: -146.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1758.209423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.209423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.209423 (E_RNA)
where:
Base-Base interactions energy: -1226.055
where: short stacking energy: -515.178
Base-Backbone interact. energy: -0.930
local terms energy: -531.224784
where:
bonds (distance) C4'-P energy: -90.691
bonds (distance) P-C4' energy: -107.767
flat angles C4'-P-C4' energy: -104.822
flat angles P-C4'-P energy: -75.816
tors. eta vs tors. theta energy: -152.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1707.229435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.229435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.229435 (E_RNA)
where:
Base-Base interactions energy: -1192.354
where: short stacking energy: -491.017
Base-Backbone interact. energy: -1.222
local terms energy: -513.653465
where:
bonds (distance) C4'-P energy: -101.074
bonds (distance) P-C4' energy: -90.680
flat angles C4'-P-C4' energy: -112.951
flat angles P-C4'-P energy: -74.589
tors. eta vs tors. theta energy: -134.359
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: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1614.165898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.165898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.165898 (E_RNA)
where:
Base-Base interactions energy: -1148.228
where: short stacking energy: -471.886
Base-Backbone interact. energy: 0.468
local terms energy: -466.406636
where:
bonds (distance) C4'-P energy: -83.913
bonds (distance) P-C4' energy: -93.165
flat angles C4'-P-C4' energy: -93.056
flat angles P-C4'-P energy: -60.732
tors. eta vs tors. theta energy: -135.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1575.285535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.285535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.285535 (E_RNA)
where:
Base-Base interactions energy: -1091.997
where: short stacking energy: -447.976
Base-Backbone interact. energy: -2.071
local terms energy: -481.217481
where:
bonds (distance) C4'-P energy: -76.707
bonds (distance) P-C4' energy: -93.033
flat angles C4'-P-C4' energy: -108.330
flat angles P-C4'-P energy: -75.889
tors. eta vs tors. theta energy: -127.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1368.468088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.468088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.468088 (E_RNA)
where:
Base-Base interactions energy: -982.138
where: short stacking energy: -400.339
Base-Backbone interact. energy: 2.737
local terms energy: -389.066887
where:
bonds (distance) C4'-P energy: -57.269
bonds (distance) P-C4' energy: -87.715
flat angles C4'-P-C4' energy: -86.347
flat angles P-C4'-P energy: -56.951
tors. eta vs tors. theta energy: -100.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1226.234753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.234753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.234753 (E_RNA)
where:
Base-Base interactions energy: -840.342
where: short stacking energy: -343.885
Base-Backbone interact. energy: -0.065
local terms energy: -385.828589
where:
bonds (distance) C4'-P energy: -83.572
bonds (distance) P-C4' energy: -87.300
flat angles C4'-P-C4' energy: -82.303
flat angles P-C4'-P energy: -57.987
tors. eta vs tors. theta energy: -74.666
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: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1127.852672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.852672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.852672 (E_RNA)
where:
Base-Base interactions energy: -748.752
where: short stacking energy: -310.700
Base-Backbone interact. energy: 2.484
local terms energy: -381.584563
where:
bonds (distance) C4'-P energy: -80.776
bonds (distance) P-C4' energy: -91.679
flat angles C4'-P-C4' energy: -97.481
flat angles P-C4'-P energy: -51.985
tors. eta vs tors. theta energy: -59.664
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: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -661.913781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.913781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.913781 (E_RNA)
where:
Base-Base interactions energy: -370.956
where: short stacking energy: -197.762
Base-Backbone interact. energy: 4.301
local terms energy: -295.257968
where:
bonds (distance) C4'-P energy: -77.391
bonds (distance) P-C4' energy: -72.338
flat angles C4'-P-C4' energy: -69.754
flat angles P-C4'-P energy: -52.481
tors. eta vs tors. theta energy: -23.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1846.972838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.972838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.972838 (E_RNA)
where:
Base-Base interactions energy: -1307.180
where: short stacking energy: -543.385
Base-Backbone interact. energy: 0.700
local terms energy: -540.492783
where:
bonds (distance) C4'-P energy: -92.005
bonds (distance) P-C4' energy: -108.796
flat angles C4'-P-C4' energy: -108.195
flat angles P-C4'-P energy: -78.954
tors. eta vs tors. theta energy: -152.543
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: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1796.411055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.411055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.411055 (E_RNA)
where:
Base-Base interactions energy: -1256.872
where: short stacking energy: -524.268
Base-Backbone interact. energy: -0.760
local terms energy: -538.779051
where:
bonds (distance) C4'-P energy: -92.256
bonds (distance) P-C4' energy: -95.388
flat angles C4'-P-C4' energy: -111.800
flat angles P-C4'-P energy: -82.285
tors. eta vs tors. theta energy: -157.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1757.873768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.873768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.873768 (E_RNA)
where:
Base-Base interactions energy: -1264.821
where: short stacking energy: -511.736
Base-Backbone interact. energy: -0.170
local terms energy: -492.883243
where:
bonds (distance) C4'-P energy: -83.783
bonds (distance) P-C4' energy: -97.314
flat angles C4'-P-C4' energy: -98.467
flat angles P-C4'-P energy: -72.458
tors. eta vs tors. theta energy: -140.862
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: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1668.802340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.802340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.802340 (E_RNA)
where:
Base-Base interactions energy: -1193.014
where: short stacking energy: -480.506
Base-Backbone interact. energy: -1.426
local terms energy: -474.362390
where:
bonds (distance) C4'-P energy: -79.910
bonds (distance) P-C4' energy: -86.491
flat angles C4'-P-C4' energy: -106.449
flat angles P-C4'-P energy: -63.575
tors. eta vs tors. theta energy: -137.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1571.240012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.240012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.240012 (E_RNA)
where:
Base-Base interactions energy: -1116.528
where: short stacking energy: -461.891
Base-Backbone interact. energy: 1.955
local terms energy: -456.667337
where:
bonds (distance) C4'-P energy: -94.261
bonds (distance) P-C4' energy: -82.471
flat angles C4'-P-C4' energy: -97.295
flat angles P-C4'-P energy: -48.753
tors. eta vs tors. theta energy: -133.888
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: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1512.030088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.030088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.030088 (E_RNA)
where:
Base-Base interactions energy: -1051.268
where: short stacking energy: -439.654
Base-Backbone interact. energy: -1.528
local terms energy: -459.234085
where:
bonds (distance) C4'-P energy: -76.223
bonds (distance) P-C4' energy: -92.729
flat angles C4'-P-C4' energy: -106.122
flat angles P-C4'-P energy: -60.478
tors. eta vs tors. theta energy: -123.682
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: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1303.588569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.588569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.588569 (E_RNA)
where:
Base-Base interactions energy: -883.213
where: short stacking energy: -372.296
Base-Backbone interact. energy: 1.711
local terms energy: -422.085745
where:
bonds (distance) C4'-P energy: -75.216
bonds (distance) P-C4' energy: -91.112
flat angles C4'-P-C4' energy: -101.932
flat angles P-C4'-P energy: -44.838
tors. eta vs tors. theta energy: -108.988
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: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1241.262690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.262690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.262690 (E_RNA)
where:
Base-Base interactions energy: -851.339
where: short stacking energy: -346.132
Base-Backbone interact. energy: 1.047
local terms energy: -390.970318
where:
bonds (distance) C4'-P energy: -67.483
bonds (distance) P-C4' energy: -91.704
flat angles C4'-P-C4' energy: -87.609
flat angles P-C4'-P energy: -60.290
tors. eta vs tors. theta energy: -83.885
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: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1159.394239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.394239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.394239 (E_RNA)
where:
Base-Base interactions energy: -794.653
where: short stacking energy: -343.733
Base-Backbone interact. energy: -1.428
local terms energy: -363.313178
where:
bonds (distance) C4'-P energy: -74.903
bonds (distance) P-C4' energy: -68.701
flat angles C4'-P-C4' energy: -82.538
flat angles P-C4'-P energy: -54.659
tors. eta vs tors. theta energy: -82.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -684.237849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.237849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.237849 (E_RNA)
where:
Base-Base interactions energy: -364.081
where: short stacking energy: -180.151
Base-Backbone interact. energy: 2.920
local terms energy: -323.077419
where:
bonds (distance) C4'-P energy: -75.059
bonds (distance) P-C4' energy: -92.186
flat angles C4'-P-C4' energy: -82.177
flat angles P-C4'-P energy: -53.713
tors. eta vs tors. theta energy: -19.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1832.377055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.377055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.377055 (E_RNA)
where:
Base-Base interactions energy: -1300.336
where: short stacking energy: -538.947
Base-Backbone interact. energy: -0.991
local terms energy: -531.049966
where:
bonds (distance) C4'-P energy: -90.639
bonds (distance) P-C4' energy: -99.452
flat angles C4'-P-C4' energy: -106.113
flat angles P-C4'-P energy: -89.151
tors. eta vs tors. theta energy: -145.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1804.058316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.058316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.058316 (E_RNA)
where:
Base-Base interactions energy: -1271.714
where: short stacking energy: -549.909
Base-Backbone interact. energy: -3.049
local terms energy: -529.295459
where:
bonds (distance) C4'-P energy: -92.994
bonds (distance) P-C4' energy: -101.517
flat angles C4'-P-C4' energy: -110.498
flat angles P-C4'-P energy: -70.238
tors. eta vs tors. theta energy: -154.047
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: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1781.692291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.692291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.692291 (E_RNA)
where:
Base-Base interactions energy: -1229.979
where: short stacking energy: -512.405
Base-Backbone interact. energy: -1.235
local terms energy: -550.478379
where:
bonds (distance) C4'-P energy: -100.477
bonds (distance) P-C4' energy: -101.916
flat angles C4'-P-C4' energy: -114.514
flat angles P-C4'-P energy: -80.876
tors. eta vs tors. theta energy: -152.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1692.453599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.453599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.453599 (E_RNA)
where:
Base-Base interactions energy: -1220.055
where: short stacking energy: -501.836
Base-Backbone interact. energy: -2.517
local terms energy: -469.881790
where:
bonds (distance) C4'-P energy: -78.752
bonds (distance) P-C4' energy: -77.604
flat angles C4'-P-C4' energy: -106.352
flat angles P-C4'-P energy: -65.993
tors. eta vs tors. theta energy: -141.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1594.872379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.872379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.872379 (E_RNA)
where:
Base-Base interactions energy: -1101.330
where: short stacking energy: -440.043
Base-Backbone interact. energy: -1.975
local terms energy: -491.566968
where:
bonds (distance) C4'-P energy: -101.790
bonds (distance) P-C4' energy: -90.682
flat angles C4'-P-C4' energy: -102.898
flat angles P-C4'-P energy: -68.883
tors. eta vs tors. theta energy: -127.314
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: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1549.873600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.873600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.873600 (E_RNA)
where:
Base-Base interactions energy: -1068.177
where: short stacking energy: -446.198
Base-Backbone interact. energy: -0.197
local terms energy: -481.499826
where:
bonds (distance) C4'-P energy: -91.128
bonds (distance) P-C4' energy: -92.723
flat angles C4'-P-C4' energy: -101.740
flat angles P-C4'-P energy: -59.122
tors. eta vs tors. theta energy: -136.787
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: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1302.310779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.310779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.310779 (E_RNA)
where:
Base-Base interactions energy: -883.861
where: short stacking energy: -376.191
Base-Backbone interact. energy: 0.993
local terms energy: -419.442779
where:
bonds (distance) C4'-P energy: -75.706
bonds (distance) P-C4' energy: -95.853
flat angles C4'-P-C4' energy: -105.245
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -101.548
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: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1242.998537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.998537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.998537 (E_RNA)
where:
Base-Base interactions energy: -858.609
where: short stacking energy: -353.317
Base-Backbone interact. energy: -0.922
local terms energy: -383.467103
where:
bonds (distance) C4'-P energy: -88.163
bonds (distance) P-C4' energy: -62.170
flat angles C4'-P-C4' energy: -94.013
flat angles P-C4'-P energy: -49.472
tors. eta vs tors. theta energy: -89.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1152.995533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.995533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.995533 (E_RNA)
where:
Base-Base interactions energy: -774.898
where: short stacking energy: -318.521
Base-Backbone interact. energy: 1.627
local terms energy: -379.724511
where:
bonds (distance) C4'-P energy: -86.358
bonds (distance) P-C4' energy: -83.570
flat angles C4'-P-C4' energy: -73.152
flat angles P-C4'-P energy: -63.262
tors. eta vs tors. theta energy: -73.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -655.753176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.753176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.753176 (E_RNA)
where:
Base-Base interactions energy: -390.938
where: short stacking energy: -212.224
Base-Backbone interact. energy: 1.013
local terms energy: -265.828064
where:
bonds (distance) C4'-P energy: -70.131
bonds (distance) P-C4' energy: -80.523
flat angles C4'-P-C4' energy: -66.240
flat angles P-C4'-P energy: -31.809
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1830.114476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.114476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.114476 (E_RNA)
where:
Base-Base interactions energy: -1291.229
where: short stacking energy: -537.663
Base-Backbone interact. energy: -0.637
local terms energy: -538.248095
where:
bonds (distance) C4'-P energy: -98.365
bonds (distance) P-C4' energy: -93.962
flat angles C4'-P-C4' energy: -109.925
flat angles P-C4'-P energy: -81.488
tors. eta vs tors. theta energy: -154.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1784.491693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.491693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.491693 (E_RNA)
where:
Base-Base interactions energy: -1253.446
where: short stacking energy: -512.458
Base-Backbone interact. energy: -1.187
local terms energy: -529.858431
where:
bonds (distance) C4'-P energy: -107.259
bonds (distance) P-C4' energy: -88.456
flat angles C4'-P-C4' energy: -104.921
flat angles P-C4'-P energy: -69.565
tors. eta vs tors. theta energy: -159.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1758.556749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.556749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.556749 (E_RNA)
where:
Base-Base interactions energy: -1246.172
where: short stacking energy: -518.297
Base-Backbone interact. energy: -0.445
local terms energy: -511.939541
where:
bonds (distance) C4'-P energy: -98.146
bonds (distance) P-C4' energy: -81.300
flat angles C4'-P-C4' energy: -111.442
flat angles P-C4'-P energy: -79.909
tors. eta vs tors. theta energy: -141.143
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: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1715.456187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.456187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.456187 (E_RNA)
where:
Base-Base interactions energy: -1218.629
where: short stacking energy: -502.473
Base-Backbone interact. energy: -1.354
local terms energy: -495.473456
where:
bonds (distance) C4'-P energy: -85.493
bonds (distance) P-C4' energy: -82.518
flat angles C4'-P-C4' energy: -104.921
flat angles P-C4'-P energy: -76.452
tors. eta vs tors. theta energy: -146.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1578.290113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.290113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.290113 (E_RNA)
where:
Base-Base interactions energy: -1110.294
where: short stacking energy: -460.873
Base-Backbone interact. energy: -1.508
local terms energy: -466.488004
where:
bonds (distance) C4'-P energy: -90.078
bonds (distance) P-C4' energy: -72.477
flat angles C4'-P-C4' energy: -99.967
flat angles P-C4'-P energy: -75.722
tors. eta vs tors. theta energy: -128.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1575.318882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.318882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.318882 (E_RNA)
where:
Base-Base interactions energy: -1118.503
where: short stacking energy: -452.774
Base-Backbone interact. energy: -0.977
local terms energy: -455.838249
where:
bonds (distance) C4'-P energy: -92.956
bonds (distance) P-C4' energy: -78.881
flat angles C4'-P-C4' energy: -92.482
flat angles P-C4'-P energy: -65.836
tors. eta vs tors. theta energy: -125.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1318.013461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.013461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.013461 (E_RNA)
where:
Base-Base interactions energy: -887.501
where: short stacking energy: -359.784
Base-Backbone interact. energy: -4.471
local terms energy: -426.042020
where:
bonds (distance) C4'-P energy: -82.935
bonds (distance) P-C4' energy: -83.066
flat angles C4'-P-C4' energy: -98.796
flat angles P-C4'-P energy: -68.491
tors. eta vs tors. theta energy: -92.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1286.955314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.955314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.955314 (E_RNA)
where:
Base-Base interactions energy: -888.599
where: short stacking energy: -377.026
Base-Backbone interact. energy: 1.757
local terms energy: -400.112733
where:
bonds (distance) C4'-P energy: -79.394
bonds (distance) P-C4' energy: -96.628
flat angles C4'-P-C4' energy: -88.283
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: -92.745
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: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1054.457918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.457918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.457918 (E_RNA)
where:
Base-Base interactions energy: -672.391
where: short stacking energy: -283.351
Base-Backbone interact. energy: -1.006
local terms energy: -381.061274
where:
bonds (distance) C4'-P energy: -89.813
bonds (distance) P-C4' energy: -91.471
flat angles C4'-P-C4' energy: -86.911
flat angles P-C4'-P energy: -48.229
tors. eta vs tors. theta energy: -64.637
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: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -675.867469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.867469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.867469 (E_RNA)
where:
Base-Base interactions energy: -389.676
where: short stacking energy: -198.728
Base-Backbone interact. energy: -0.446
local terms energy: -285.745414
where:
bonds (distance) C4'-P energy: -82.793
bonds (distance) P-C4' energy: -68.276
flat angles C4'-P-C4' energy: -91.041
flat angles P-C4'-P energy: -34.121
tors. eta vs tors. theta energy: -9.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1842.992193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.992193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.992193 (E_RNA)
where:
Base-Base interactions energy: -1296.237
where: short stacking energy: -545.391
Base-Backbone interact. energy: -2.428
local terms energy: -544.327266
where:
bonds (distance) C4'-P energy: -95.145
bonds (distance) P-C4' energy: -96.423
flat angles C4'-P-C4' energy: -108.122
flat angles P-C4'-P energy: -81.494
tors. eta vs tors. theta energy: -163.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1820.085881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.085881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.085881 (E_RNA)
where:
Base-Base interactions energy: -1278.594
where: short stacking energy: -528.241
Base-Backbone interact. energy: -1.077
local terms energy: -540.414671
where:
bonds (distance) C4'-P energy: -93.172
bonds (distance) P-C4' energy: -105.071
flat angles C4'-P-C4' energy: -106.738
flat angles P-C4'-P energy: -85.377
tors. eta vs tors. theta energy: -150.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1731.961509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.961509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.961509 (E_RNA)
where:
Base-Base interactions energy: -1247.001
where: short stacking energy: -513.153
Base-Backbone interact. energy: -2.475
local terms energy: -482.485191
where:
bonds (distance) C4'-P energy: -97.386
bonds (distance) P-C4' energy: -85.334
flat angles C4'-P-C4' energy: -97.854
flat angles P-C4'-P energy: -64.249
tors. eta vs tors. theta energy: -137.663
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: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1722.064828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.064828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.064828 (E_RNA)
where:
Base-Base interactions energy: -1223.930
where: short stacking energy: -524.436
Base-Backbone interact. energy: -1.770
local terms energy: -496.364928
where:
bonds (distance) C4'-P energy: -87.800
bonds (distance) P-C4' energy: -90.356
flat angles C4'-P-C4' energy: -107.209
flat angles P-C4'-P energy: -65.363
tors. eta vs tors. theta energy: -145.637
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: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1635.947666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.947666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.947666 (E_RNA)
where:
Base-Base interactions energy: -1134.483
where: short stacking energy: -475.136
Base-Backbone interact. energy: -2.101
local terms energy: -499.362950
where:
bonds (distance) C4'-P energy: -88.994
bonds (distance) P-C4' energy: -97.287
flat angles C4'-P-C4' energy: -111.350
flat angles P-C4'-P energy: -62.505
tors. eta vs tors. theta energy: -139.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1576.803728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.803728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.803728 (E_RNA)
where:
Base-Base interactions energy: -1108.445
where: short stacking energy: -456.179
Base-Backbone interact. energy: -1.918
local terms energy: -466.440401
where:
bonds (distance) C4'-P energy: -93.616
bonds (distance) P-C4' energy: -86.281
flat angles C4'-P-C4' energy: -93.598
flat angles P-C4'-P energy: -63.699
tors. eta vs tors. theta energy: -129.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1308.140244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.140244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.140244 (E_RNA)
where:
Base-Base interactions energy: -919.148
where: short stacking energy: -396.924
Base-Backbone interact. energy: -1.682
local terms energy: -387.310088
where:
bonds (distance) C4'-P energy: -75.264
bonds (distance) P-C4' energy: -69.483
flat angles C4'-P-C4' energy: -90.906
flat angles P-C4'-P energy: -53.186
tors. eta vs tors. theta energy: -98.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1302.873618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.873618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.873618 (E_RNA)
where:
Base-Base interactions energy: -904.970
where: short stacking energy: -357.671
Base-Backbone interact. energy: -0.492
local terms energy: -397.411408
where:
bonds (distance) C4'-P energy: -71.949
bonds (distance) P-C4' energy: -83.501
flat angles C4'-P-C4' energy: -100.177
flat angles P-C4'-P energy: -58.430
tors. eta vs tors. theta energy: -83.355
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: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1049.959214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.959214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.959214 (E_RNA)
where:
Base-Base interactions energy: -696.114
where: short stacking energy: -276.691
Base-Backbone interact. energy: -1.256
local terms energy: -352.588854
where:
bonds (distance) C4'-P energy: -84.324
bonds (distance) P-C4' energy: -82.226
flat angles C4'-P-C4' energy: -75.314
flat angles P-C4'-P energy: -61.272
tors. eta vs tors. theta energy: -49.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -631.177940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.177940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.177940 (E_RNA)
where:
Base-Base interactions energy: -347.044
where: short stacking energy: -191.385
Base-Backbone interact. energy: -0.866
local terms energy: -283.268182
where:
bonds (distance) C4'-P energy: -73.711
bonds (distance) P-C4' energy: -73.547
flat angles C4'-P-C4' energy: -77.536
flat angles P-C4'-P energy: -44.770
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1843.056800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.056800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.056800 (E_RNA)
where:
Base-Base interactions energy: -1298.738
where: short stacking energy: -538.898
Base-Backbone interact. energy: 1.441
local terms energy: -545.760034
where:
bonds (distance) C4'-P energy: -104.807
bonds (distance) P-C4' energy: -98.818
flat angles C4'-P-C4' energy: -114.553
flat angles P-C4'-P energy: -74.968
tors. eta vs tors. theta energy: -152.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1818.189647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.189647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.189647 (E_RNA)
where:
Base-Base interactions energy: -1288.056
where: short stacking energy: -534.811
Base-Backbone interact. energy: -2.258
local terms energy: -527.875699
where:
bonds (distance) C4'-P energy: -93.996
bonds (distance) P-C4' energy: -90.577
flat angles C4'-P-C4' energy: -110.715
flat angles P-C4'-P energy: -72.183
tors. eta vs tors. theta energy: -160.405
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: 6
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1722.546055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.546055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.546055 (E_RNA)
where:
Base-Base interactions energy: -1196.646
where: short stacking energy: -491.754
Base-Backbone interact. energy: 0.626
local terms energy: -526.525881
where:
bonds (distance) C4'-P energy: -95.015
bonds (distance) P-C4' energy: -101.644
flat angles C4'-P-C4' energy: -110.388
flat angles P-C4'-P energy: -76.997
tors. eta vs tors. theta energy: -142.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1725.887950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.887950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.887950 (E_RNA)
where:
Base-Base interactions energy: -1259.668
where: short stacking energy: -509.974
Base-Backbone interact. energy: 1.527
local terms energy: -467.746362
where:
bonds (distance) C4'-P energy: -74.221
bonds (distance) P-C4' energy: -82.350
flat angles C4'-P-C4' energy: -111.666
flat angles P-C4'-P energy: -61.186
tors. eta vs tors. theta energy: -138.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1657.241661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.241661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.241661 (E_RNA)
where:
Base-Base interactions energy: -1155.865
where: short stacking energy: -485.924
Base-Backbone interact. energy: -0.818
local terms energy: -500.558570
where:
bonds (distance) C4'-P energy: -70.576
bonds (distance) P-C4' energy: -98.553
flat angles C4'-P-C4' energy: -112.628
flat angles P-C4'-P energy: -76.160
tors. eta vs tors. theta energy: -142.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1597.607690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.607690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.607690 (E_RNA)
where:
Base-Base interactions energy: -1111.313
where: short stacking energy: -463.964
Base-Backbone interact. energy: -1.301
local terms energy: -484.993325
where:
bonds (distance) C4'-P energy: -84.193
bonds (distance) P-C4' energy: -94.278
flat angles C4'-P-C4' energy: -101.121
flat angles P-C4'-P energy: -67.974
tors. eta vs tors. theta energy: -137.427
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: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1302.414918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.414918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.414918 (E_RNA)
where:
Base-Base interactions energy: -903.343
where: short stacking energy: -394.297
Base-Backbone interact. energy: -1.083
local terms energy: -397.989743
where:
bonds (distance) C4'-P energy: -65.418
bonds (distance) P-C4' energy: -79.693
flat angles C4'-P-C4' energy: -91.961
flat angles P-C4'-P energy: -65.449
tors. eta vs tors. theta energy: -95.468
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: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1294.748216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.748216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.748216 (E_RNA)
where:
Base-Base interactions energy: -906.431
where: short stacking energy: -340.009
Base-Backbone interact. energy: -3.000
local terms energy: -385.317007
where:
bonds (distance) C4'-P energy: -71.243
bonds (distance) P-C4' energy: -77.979
flat angles C4'-P-C4' energy: -95.467
flat angles P-C4'-P energy: -54.375
tors. eta vs tors. theta energy: -86.253
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: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -1035.534563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.534563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.534563 (E_RNA)
where:
Base-Base interactions energy: -674.883
where: short stacking energy: -302.061
Base-Backbone interact. energy: -4.454
local terms energy: -356.198116
where:
bonds (distance) C4'-P energy: -73.510
bonds (distance) P-C4' energy: -73.002
flat angles C4'-P-C4' energy: -80.083
flat angles P-C4'-P energy: -59.187
tors. eta vs tors. theta energy: -70.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -762.454381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.454381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.454381 (E_RNA)
where:
Base-Base interactions energy: -452.826
where: short stacking energy: -211.707
Base-Backbone interact. energy: 4.530
local terms energy: -314.157823
where:
bonds (distance) C4'-P energy: -75.688
bonds (distance) P-C4' energy: -92.470
flat angles C4'-P-C4' energy: -79.327
flat angles P-C4'-P energy: -39.221
tors. eta vs tors. theta energy: -27.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1834.940538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.940538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.940538 (E_RNA)
where:
Base-Base interactions energy: -1282.414
where: short stacking energy: -542.533
Base-Backbone interact. energy: 0.221
local terms energy: -552.747237
where:
bonds (distance) C4'-P energy: -92.514
bonds (distance) P-C4' energy: -102.608
flat angles C4'-P-C4' energy: -111.034
flat angles P-C4'-P energy: -90.377
tors. eta vs tors. theta energy: -156.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1816.301052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.301052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.301052 (E_RNA)
where:
Base-Base interactions energy: -1288.348
where: short stacking energy: -545.456
Base-Backbone interact. energy: 2.632
local terms energy: -530.585325
where:
bonds (distance) C4'-P energy: -86.785
bonds (distance) P-C4' energy: -94.461
flat angles C4'-P-C4' energy: -110.785
flat angles P-C4'-P energy: -82.526
tors. eta vs tors. theta energy: -156.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1740.703942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.703942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.703942 (E_RNA)
where:
Base-Base interactions energy: -1210.360
where: short stacking energy: -506.726
Base-Backbone interact. energy: -2.553
local terms energy: -527.791248
where:
bonds (distance) C4'-P energy: -96.198
bonds (distance) P-C4' energy: -101.986
flat angles C4'-P-C4' energy: -108.945
flat angles P-C4'-P energy: -67.042
tors. eta vs tors. theta energy: -153.620
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: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1732.479203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.479203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.479203 (E_RNA)
where:
Base-Base interactions energy: -1231.274
where: short stacking energy: -492.751
Base-Backbone interact. energy: -0.814
local terms energy: -500.390879
where:
bonds (distance) C4'-P energy: -96.514
bonds (distance) P-C4' energy: -78.709
flat angles C4'-P-C4' energy: -111.870
flat angles P-C4'-P energy: -71.334
tors. eta vs tors. theta energy: -141.964
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: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1652.860952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.860952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.860952 (E_RNA)
where:
Base-Base interactions energy: -1166.322
where: short stacking energy: -481.673
Base-Backbone interact. energy: -1.411
local terms energy: -485.127607
where:
bonds (distance) C4'-P energy: -79.991
bonds (distance) P-C4' energy: -92.012
flat angles C4'-P-C4' energy: -100.620
flat angles P-C4'-P energy: -73.037
tors. eta vs tors. theta energy: -139.468
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: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1547.843695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.843695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.843695 (E_RNA)
where:
Base-Base interactions energy: -1084.120
where: short stacking energy: -439.509
Base-Backbone interact. energy: -4.568
local terms energy: -459.155718
where:
bonds (distance) C4'-P energy: -72.895
bonds (distance) P-C4' energy: -87.534
flat angles C4'-P-C4' energy: -104.078
flat angles P-C4'-P energy: -70.664
tors. eta vs tors. theta energy: -123.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1386.284886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.284886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.284886 (E_RNA)
where:
Base-Base interactions energy: -958.271
where: short stacking energy: -411.277
Base-Backbone interact. energy: -2.351
local terms energy: -425.662466
where:
bonds (distance) C4'-P energy: -75.335
bonds (distance) P-C4' energy: -85.140
flat angles C4'-P-C4' energy: -93.877
flat angles P-C4'-P energy: -56.445
tors. eta vs tors. theta energy: -114.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1247.743032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.743032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.743032 (E_RNA)
where:
Base-Base interactions energy: -878.482
where: short stacking energy: -372.211
Base-Backbone interact. energy: 4.222
local terms energy: -373.483608
where:
bonds (distance) C4'-P energy: -69.616
bonds (distance) P-C4' energy: -89.526
flat angles C4'-P-C4' energy: -77.702
flat angles P-C4'-P energy: -44.412
tors. eta vs tors. theta energy: -92.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1024.432835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.432835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.432835 (E_RNA)
where:
Base-Base interactions energy: -655.548
where: short stacking energy: -273.546
Base-Backbone interact. energy: -5.626
local terms energy: -363.259470
where:
bonds (distance) C4'-P energy: -76.516
bonds (distance) P-C4' energy: -101.374
flat angles C4'-P-C4' energy: -88.294
flat angles P-C4'-P energy: -42.262
tors. eta vs tors. theta energy: -54.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -762.622921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.622921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.622921 (E_RNA)
where:
Base-Base interactions energy: -470.863
where: short stacking energy: -219.593
Base-Backbone interact. energy: -2.304
local terms energy: -289.455969
where:
bonds (distance) C4'-P energy: -64.810
bonds (distance) P-C4' energy: -92.561
flat angles C4'-P-C4' energy: -72.396
flat angles P-C4'-P energy: -35.175
tors. eta vs tors. theta energy: -24.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1844.338657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.338657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.338657 (E_RNA)
where:
Base-Base interactions energy: -1304.651
where: short stacking energy: -548.399
Base-Backbone interact. energy: -2.310
local terms energy: -537.378076
where:
bonds (distance) C4'-P energy: -84.636
bonds (distance) P-C4' energy: -94.220
flat angles C4'-P-C4' energy: -115.755
flat angles P-C4'-P energy: -81.224
tors. eta vs tors. theta energy: -161.542
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: 131
Temperature: 0.950000
Total energy: -1815.683302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.683302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.683302 (E_RNA)
where:
Base-Base interactions energy: -1280.571
where: short stacking energy: -545.446
Base-Backbone interact. energy: -0.696
local terms energy: -534.415994
where:
bonds (distance) C4'-P energy: -99.570
bonds (distance) P-C4' energy: -95.891
flat angles C4'-P-C4' energy: -115.576
flat angles P-C4'-P energy: -70.926
tors. eta vs tors. theta energy: -152.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1712.166603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.166603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.166603 (E_RNA)
where:
Base-Base interactions energy: -1202.781
where: short stacking energy: -487.543
Base-Backbone interact. energy: -2.537
local terms energy: -506.848816
where:
bonds (distance) C4'-P energy: -94.702
bonds (distance) P-C4' energy: -93.407
flat angles C4'-P-C4' energy: -104.485
flat angles P-C4'-P energy: -75.511
tors. eta vs tors. theta energy: -138.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1692.896337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.896337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.896337 (E_RNA)
where:
Base-Base interactions energy: -1196.930
where: short stacking energy: -486.279
Base-Backbone interact. energy: 0.625
local terms energy: -496.591278
where:
bonds (distance) C4'-P energy: -92.993
bonds (distance) P-C4' energy: -86.654
flat angles C4'-P-C4' energy: -104.506
flat angles P-C4'-P energy: -72.073
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: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1635.201813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.201813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.201813 (E_RNA)
where:
Base-Base interactions energy: -1157.244
where: short stacking energy: -488.106
Base-Backbone interact. energy: -0.223
local terms energy: -477.734265
where:
bonds (distance) C4'-P energy: -75.351
bonds (distance) P-C4' energy: -90.053
flat angles C4'-P-C4' energy: -99.967
flat angles P-C4'-P energy: -74.364
tors. eta vs tors. theta energy: -138.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1544.744591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.744591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.744591 (E_RNA)
where:
Base-Base interactions energy: -1086.376
where: short stacking energy: -457.433
Base-Backbone interact. energy: -0.611
local terms energy: -457.757010
where:
bonds (distance) C4'-P energy: -98.713
bonds (distance) P-C4' energy: -92.506
flat angles C4'-P-C4' energy: -84.660
flat angles P-C4'-P energy: -67.856
tors. eta vs tors. theta energy: -114.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1408.513562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.513562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.513562 (E_RNA)
where:
Base-Base interactions energy: -984.669
where: short stacking energy: -425.567
Base-Backbone interact. energy: 0.069
local terms energy: -423.914091
where:
bonds (distance) C4'-P energy: -72.140
bonds (distance) P-C4' energy: -83.471
flat angles C4'-P-C4' energy: -97.998
flat angles P-C4'-P energy: -52.582
tors. eta vs tors. theta energy: -117.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1163.377323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.377323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.377323 (E_RNA)
where:
Base-Base interactions energy: -781.468
where: short stacking energy: -329.077
Base-Backbone interact. energy: -0.074
local terms energy: -381.835480
where:
bonds (distance) C4'-P energy: -94.868
bonds (distance) P-C4' energy: -85.581
flat angles C4'-P-C4' energy: -76.302
flat angles P-C4'-P energy: -50.215
tors. eta vs tors. theta energy: -74.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1034.411695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.411695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.411695 (E_RNA)
where:
Base-Base interactions energy: -668.178
where: short stacking energy: -288.020
Base-Backbone interact. energy: -3.139
local terms energy: -363.094561
where:
bonds (distance) C4'-P energy: -83.554
bonds (distance) P-C4' energy: -83.374
flat angles C4'-P-C4' energy: -81.202
flat angles P-C4'-P energy: -52.921
tors. eta vs tors. theta energy: -62.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -723.996596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.996596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.996596 (E_RNA)
where:
Base-Base interactions energy: -442.206
where: short stacking energy: -200.953
Base-Backbone interact. energy: 0.550
local terms energy: -282.340772
where:
bonds (distance) C4'-P energy: -83.809
bonds (distance) P-C4' energy: -60.678
flat angles C4'-P-C4' energy: -77.075
flat angles P-C4'-P energy: -34.916
tors. eta vs tors. theta energy: -25.863
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: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1844.673135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.673135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.673135 (E_RNA)
where:
Base-Base interactions energy: -1306.087
where: short stacking energy: -554.821
Base-Backbone interact. energy: 0.264
local terms energy: -538.849966
where:
bonds (distance) C4'-P energy: -84.860
bonds (distance) P-C4' energy: -91.201
flat angles C4'-P-C4' energy: -122.826
flat angles P-C4'-P energy: -75.890
tors. eta vs tors. theta energy: -164.074
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: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1792.143080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.143080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.143080 (E_RNA)
where:
Base-Base interactions energy: -1281.572
where: short stacking energy: -535.930
Base-Backbone interact. energy: -1.924
local terms energy: -508.646473
where:
bonds (distance) C4'-P energy: -80.330
bonds (distance) P-C4' energy: -97.010
flat angles C4'-P-C4' energy: -108.163
flat angles P-C4'-P energy: -77.445
tors. eta vs tors. theta energy: -145.699
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: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1762.848630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.848630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.848630 (E_RNA)
where:
Base-Base interactions energy: -1252.990
where: short stacking energy: -515.923
Base-Backbone interact. energy: -1.978
local terms energy: -507.880657
where:
bonds (distance) C4'-P energy: -89.301
bonds (distance) P-C4' energy: -96.392
flat angles C4'-P-C4' energy: -107.795
flat angles P-C4'-P energy: -68.985
tors. eta vs tors. theta energy: -145.408
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: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1688.622833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.622833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.622833 (E_RNA)
where:
Base-Base interactions energy: -1209.417
where: short stacking energy: -492.061
Base-Backbone interact. energy: -2.254
local terms energy: -476.952236
where:
bonds (distance) C4'-P energy: -72.388
bonds (distance) P-C4' energy: -86.770
flat angles C4'-P-C4' energy: -112.775
flat angles P-C4'-P energy: -72.690
tors. eta vs tors. theta energy: -132.329
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: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1636.808311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.808311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.808311 (E_RNA)
where:
Base-Base interactions energy: -1154.309
where: short stacking energy: -484.379
Base-Backbone interact. energy: -1.858
local terms energy: -480.640971
where:
bonds (distance) C4'-P energy: -93.891
bonds (distance) P-C4' energy: -80.005
flat angles C4'-P-C4' energy: -115.166
flat angles P-C4'-P energy: -54.338
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: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1570.230624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.230624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.230624 (E_RNA)
where:
Base-Base interactions energy: -1117.635
where: short stacking energy: -441.789
Base-Backbone interact. energy: -0.947
local terms energy: -451.648677
where:
bonds (distance) C4'-P energy: -84.250
bonds (distance) P-C4' energy: -78.912
flat angles C4'-P-C4' energy: -85.146
flat angles P-C4'-P energy: -66.658
tors. eta vs tors. theta energy: -136.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1382.881562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.881562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.881562 (E_RNA)
where:
Base-Base interactions energy: -948.700
where: short stacking energy: -406.265
Base-Backbone interact. energy: 2.071
local terms energy: -436.252497
where:
bonds (distance) C4'-P energy: -68.476
bonds (distance) P-C4' energy: -92.902
flat angles C4'-P-C4' energy: -98.265
flat angles P-C4'-P energy: -65.761
tors. eta vs tors. theta energy: -110.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1160.771653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.771653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.771653 (E_RNA)
where:
Base-Base interactions energy: -773.307
where: short stacking energy: -335.585
Base-Backbone interact. energy: -2.761
local terms energy: -384.703344
where:
bonds (distance) C4'-P energy: -82.950
bonds (distance) P-C4' energy: -81.509
flat angles C4'-P-C4' energy: -89.849
flat angles P-C4'-P energy: -59.157
tors. eta vs tors. theta energy: -71.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1080.211656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.211656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.211656 (E_RNA)
where:
Base-Base interactions energy: -701.038
where: short stacking energy: -298.359
Base-Backbone interact. energy: -0.916
local terms energy: -378.257965
where:
bonds (distance) C4'-P energy: -73.076
bonds (distance) P-C4' energy: -87.239
flat angles C4'-P-C4' energy: -80.919
flat angles P-C4'-P energy: -62.089
tors. eta vs tors. theta energy: -74.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -729.261331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.261331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.261331 (E_RNA)
where:
Base-Base interactions energy: -449.960
where: short stacking energy: -206.987
Base-Backbone interact. energy: -2.219
local terms energy: -277.081948
where:
bonds (distance) C4'-P energy: -84.042
bonds (distance) P-C4' energy: -63.382
flat angles C4'-P-C4' energy: -64.861
flat angles P-C4'-P energy: -39.844
tors. eta vs tors. theta energy: -24.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1842.769325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.769325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.769325 (E_RNA)
where:
Base-Base interactions energy: -1294.184
where: short stacking energy: -544.811
Base-Backbone interact. energy: -1.974
local terms energy: -546.610970
where:
bonds (distance) C4'-P energy: -99.295
bonds (distance) P-C4' energy: -87.556
flat angles C4'-P-C4' energy: -118.674
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -159.294
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: 133
Temperature: 0.950000
Total energy: -1787.643868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.643868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.643868 (E_RNA)
where:
Base-Base interactions energy: -1248.563
where: short stacking energy: -523.056
Base-Backbone interact. energy: -1.150
local terms energy: -537.930930
where:
bonds (distance) C4'-P energy: -92.991
bonds (distance) P-C4' energy: -106.189
flat angles C4'-P-C4' energy: -105.520
flat angles P-C4'-P energy: -82.217
tors. eta vs tors. theta energy: -151.014
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: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1758.960296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.960296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.960296 (E_RNA)
where:
Base-Base interactions energy: -1250.862
where: short stacking energy: -517.642
Base-Backbone interact. energy: -1.144
local terms energy: -506.955218
where:
bonds (distance) C4'-P energy: -90.008
bonds (distance) P-C4' energy: -79.757
flat angles C4'-P-C4' energy: -111.704
flat angles P-C4'-P energy: -75.195
tors. eta vs tors. theta energy: -150.291
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: 4, replica: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1716.733099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.733099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.733099 (E_RNA)
where:
Base-Base interactions energy: -1212.151
where: short stacking energy: -473.791
Base-Backbone interact. energy: -2.888
local terms energy: -501.694087
where:
bonds (distance) C4'-P energy: -92.002
bonds (distance) P-C4' energy: -94.477
flat angles C4'-P-C4' energy: -103.548
flat angles P-C4'-P energy: -74.819
tors. eta vs tors. theta energy: -136.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1680.593629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.593629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.593629 (E_RNA)
where:
Base-Base interactions energy: -1185.102
where: short stacking energy: -480.190
Base-Backbone interact. energy: -3.069
local terms energy: -492.422425
where:
bonds (distance) C4'-P energy: -85.402
bonds (distance) P-C4' energy: -91.750
flat angles C4'-P-C4' energy: -104.550
flat angles P-C4'-P energy: -73.145
tors. eta vs tors. theta energy: -137.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1575.405684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.405684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.405684 (E_RNA)
where:
Base-Base interactions energy: -1120.414
where: short stacking energy: -455.523
Base-Backbone interact. energy: -2.030
local terms energy: -452.961986
where:
bonds (distance) C4'-P energy: -65.490
bonds (distance) P-C4' energy: -82.317
flat angles C4'-P-C4' energy: -112.721
flat angles P-C4'-P energy: -64.508
tors. eta vs tors. theta energy: -127.927
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: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1320.046805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.046805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.046805 (E_RNA)
where:
Base-Base interactions energy: -904.501
where: short stacking energy: -373.208
Base-Backbone interact. energy: -1.994
local terms energy: -413.552193
where:
bonds (distance) C4'-P energy: -88.314
bonds (distance) P-C4' energy: -86.212
flat angles C4'-P-C4' energy: -89.568
flat angles P-C4'-P energy: -41.927
tors. eta vs tors. theta energy: -107.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1164.407522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.407522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.407522 (E_RNA)
where:
Base-Base interactions energy: -788.007
where: short stacking energy: -343.190
Base-Backbone interact. energy: -0.912
local terms energy: -375.488391
where:
bonds (distance) C4'-P energy: -69.173
bonds (distance) P-C4' energy: -85.507
flat angles C4'-P-C4' energy: -82.266
flat angles P-C4'-P energy: -56.375
tors. eta vs tors. theta energy: -82.168
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: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1045.654475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.654475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.654475 (E_RNA)
where:
Base-Base interactions energy: -670.601
where: short stacking energy: -300.142
Base-Backbone interact. energy: -0.102
local terms energy: -374.951868
where:
bonds (distance) C4'-P energy: -88.302
bonds (distance) P-C4' energy: -82.474
flat angles C4'-P-C4' energy: -87.627
flat angles P-C4'-P energy: -45.965
tors. eta vs tors. theta energy: -70.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -709.772904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.772904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.772904 (E_RNA)
where:
Base-Base interactions energy: -434.478
where: short stacking energy: -215.132
Base-Backbone interact. energy: -0.637
local terms energy: -274.657831
where:
bonds (distance) C4'-P energy: -76.145
bonds (distance) P-C4' energy: -75.181
flat angles C4'-P-C4' energy: -66.863
flat angles P-C4'-P energy: -34.709
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1837.652169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.652169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.652169 (E_RNA)
where:
Base-Base interactions energy: -1301.867
where: short stacking energy: -539.606
Base-Backbone interact. energy: -1.147
local terms energy: -534.638685
where:
bonds (distance) C4'-P energy: -99.858
bonds (distance) P-C4' energy: -91.967
flat angles C4'-P-C4' energy: -100.575
flat angles P-C4'-P energy: -78.997
tors. eta vs tors. theta energy: -163.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1810.216661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.216661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.216661 (E_RNA)
where:
Base-Base interactions energy: -1290.256
where: short stacking energy: -546.975
Base-Backbone interact. energy: -0.253
local terms energy: -519.707695
where:
bonds (distance) C4'-P energy: -77.920
bonds (distance) P-C4' energy: -97.147
flat angles C4'-P-C4' energy: -109.419
flat angles P-C4'-P energy: -68.461
tors. eta vs tors. theta energy: -166.760
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: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1755.143344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.143344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.143344 (E_RNA)
where:
Base-Base interactions energy: -1231.618
where: short stacking energy: -495.819
Base-Backbone interact. energy: -1.411
local terms energy: -522.114037
where:
bonds (distance) C4'-P energy: -94.184
bonds (distance) P-C4' energy: -90.766
flat angles C4'-P-C4' energy: -120.660
flat angles P-C4'-P energy: -74.260
tors. eta vs tors. theta energy: -142.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1709.780869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.780869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.780869 (E_RNA)
where:
Base-Base interactions energy: -1178.936
where: short stacking energy: -506.170
Base-Backbone interact. energy: -2.301
local terms energy: -528.543979
where:
bonds (distance) C4'-P energy: -92.744
bonds (distance) P-C4' energy: -97.301
flat angles C4'-P-C4' energy: -106.547
flat angles P-C4'-P energy: -81.211
tors. eta vs tors. theta energy: -150.741
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: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1656.078076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.078076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.078076 (E_RNA)
where:
Base-Base interactions energy: -1174.216
where: short stacking energy: -482.508
Base-Backbone interact. energy: -1.286
local terms energy: -480.576512
where:
bonds (distance) C4'-P energy: -87.897
bonds (distance) P-C4' energy: -91.753
flat angles C4'-P-C4' energy: -92.931
flat angles P-C4'-P energy: -70.087
tors. eta vs tors. theta energy: -137.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1574.700550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.700550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.700550 (E_RNA)
where:
Base-Base interactions energy: -1110.257
where: short stacking energy: -459.626
Base-Backbone interact. energy: -2.425
local terms energy: -462.017821
where:
bonds (distance) C4'-P energy: -82.065
bonds (distance) P-C4' energy: -79.689
flat angles C4'-P-C4' energy: -108.061
flat angles P-C4'-P energy: -69.477
tors. eta vs tors. theta energy: -122.725
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: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1226.817005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.817005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.817005 (E_RNA)
where:
Base-Base interactions energy: -832.617
where: short stacking energy: -344.416
Base-Backbone interact. energy: -1.058
local terms energy: -393.142198
where:
bonds (distance) C4'-P energy: -74.052
bonds (distance) P-C4' energy: -82.451
flat angles C4'-P-C4' energy: -89.450
flat angles P-C4'-P energy: -62.436
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: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1253.879064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.879064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.879064 (E_RNA)
where:
Base-Base interactions energy: -862.779
where: short stacking energy: -347.437
Base-Backbone interact. energy: -1.080
local terms energy: -390.020467
where:
bonds (distance) C4'-P energy: -78.279
bonds (distance) P-C4' energy: -81.133
flat angles C4'-P-C4' energy: -91.936
flat angles P-C4'-P energy: -50.949
tors. eta vs tors. theta energy: -87.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1133.798596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.798596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.798596 (E_RNA)
where:
Base-Base interactions energy: -785.017
where: short stacking energy: -323.547
Base-Backbone interact. energy: -1.661
local terms energy: -347.121160
where:
bonds (distance) C4'-P energy: -74.917
bonds (distance) P-C4' energy: -74.235
flat angles C4'-P-C4' energy: -81.888
flat angles P-C4'-P energy: -48.254
tors. eta vs tors. theta energy: -67.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -767.407527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.407527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.407527 (E_RNA)
where:
Base-Base interactions energy: -488.620
where: short stacking energy: -216.328
Base-Backbone interact. energy: -0.331
local terms energy: -278.457326
where:
bonds (distance) C4'-P energy: -64.573
bonds (distance) P-C4' energy: -72.484
flat angles C4'-P-C4' energy: -70.770
flat angles P-C4'-P energy: -41.630
tors. eta vs tors. theta energy: -29.000
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: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1851.193386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.193386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.193386 (E_RNA)
where:
Base-Base interactions energy: -1310.267
where: short stacking energy: -554.243
Base-Backbone interact. energy: -1.990
local terms energy: -538.936227
where:
bonds (distance) C4'-P energy: -85.326
bonds (distance) P-C4' energy: -99.271
flat angles C4'-P-C4' energy: -121.481
flat angles P-C4'-P energy: -76.934
tors. eta vs tors. theta energy: -155.924
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: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1801.010840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.010840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.010840 (E_RNA)
where:
Base-Base interactions energy: -1260.956
where: short stacking energy: -535.521
Base-Backbone interact. energy: 1.910
local terms energy: -541.965097
where:
bonds (distance) C4'-P energy: -91.970
bonds (distance) P-C4' energy: -98.492
flat angles C4'-P-C4' energy: -111.314
flat angles P-C4'-P energy: -85.050
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: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1748.419334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.419334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.419334 (E_RNA)
where:
Base-Base interactions energy: -1236.896
where: short stacking energy: -494.609
Base-Backbone interact. energy: -2.177
local terms energy: -509.346752
where:
bonds (distance) C4'-P energy: -87.036
bonds (distance) P-C4' energy: -94.297
flat angles C4'-P-C4' energy: -104.544
flat angles P-C4'-P energy: -83.394
tors. eta vs tors. theta energy: -140.076
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: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1683.534344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.534344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.534344 (E_RNA)
where:
Base-Base interactions energy: -1205.603
where: short stacking energy: -502.147
Base-Backbone interact. energy: -2.689
local terms energy: -475.242779
where:
bonds (distance) C4'-P energy: -81.249
bonds (distance) P-C4' energy: -90.870
flat angles C4'-P-C4' energy: -96.821
flat angles P-C4'-P energy: -66.188
tors. eta vs tors. theta energy: -140.116
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: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1657.881116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.881116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.881116 (E_RNA)
where:
Base-Base interactions energy: -1185.332
where: short stacking energy: -484.133
Base-Backbone interact. energy: -1.382
local terms energy: -471.167499
where:
bonds (distance) C4'-P energy: -60.187
bonds (distance) P-C4' energy: -88.729
flat angles C4'-P-C4' energy: -95.965
flat angles P-C4'-P energy: -81.875
tors. eta vs tors. theta energy: -144.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1522.838570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.838570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.838570 (E_RNA)
where:
Base-Base interactions energy: -1077.367
where: short stacking energy: -456.275
Base-Backbone interact. energy: -1.695
local terms energy: -443.776850
where:
bonds (distance) C4'-P energy: -73.372
bonds (distance) P-C4' energy: -90.226
flat angles C4'-P-C4' energy: -103.844
flat angles P-C4'-P energy: -49.827
tors. eta vs tors. theta energy: -126.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1235.309717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.309717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.309717 (E_RNA)
where:
Base-Base interactions energy: -847.844
where: short stacking energy: -345.288
Base-Backbone interact. energy: -0.802
local terms energy: -386.664401
where:
bonds (distance) C4'-P energy: -77.094
bonds (distance) P-C4' energy: -85.239
flat angles C4'-P-C4' energy: -82.247
flat angles P-C4'-P energy: -60.818
tors. eta vs tors. theta energy: -81.267
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: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1209.645597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.645597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.645597 (E_RNA)
where:
Base-Base interactions energy: -845.269
where: short stacking energy: -365.630
Base-Backbone interact. energy: -2.078
local terms energy: -362.298569
where:
bonds (distance) C4'-P energy: -83.034
bonds (distance) P-C4' energy: -88.303
flat angles C4'-P-C4' energy: -80.691
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -92.288
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: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1134.694459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.694459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.694459 (E_RNA)
where:
Base-Base interactions energy: -748.344
where: short stacking energy: -318.088
Base-Backbone interact. energy: 0.973
local terms energy: -387.323640
where:
bonds (distance) C4'-P energy: -83.003
bonds (distance) P-C4' energy: -81.065
flat angles C4'-P-C4' energy: -97.567
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: -82.683
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: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -740.379656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.379656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.379656 (E_RNA)
where:
Base-Base interactions energy: -442.271
where: short stacking energy: -203.186
Base-Backbone interact. energy: 0.280
local terms energy: -298.387942
where:
bonds (distance) C4'-P energy: -80.892
bonds (distance) P-C4' energy: -74.092
flat angles C4'-P-C4' energy: -71.935
flat angles P-C4'-P energy: -48.551
tors. eta vs tors. theta energy: -22.919
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: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1833.375028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.375028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.375028 (E_RNA)
where:
Base-Base interactions energy: -1288.605
where: short stacking energy: -551.650
Base-Backbone interact. energy: -0.436
local terms energy: -544.334630
where:
bonds (distance) C4'-P energy: -99.533
bonds (distance) P-C4' energy: -95.588
flat angles C4'-P-C4' energy: -106.484
flat angles P-C4'-P energy: -79.633
tors. eta vs tors. theta energy: -163.096
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: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1814.549802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.549802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.549802 (E_RNA)
where:
Base-Base interactions energy: -1265.525
where: short stacking energy: -550.202
Base-Backbone interact. energy: -4.168
local terms energy: -544.856510
where:
bonds (distance) C4'-P energy: -98.707
bonds (distance) P-C4' energy: -99.687
flat angles C4'-P-C4' energy: -111.290
flat angles P-C4'-P energy: -76.445
tors. eta vs tors. theta energy: -158.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1737.374140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.374140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.374140 (E_RNA)
where:
Base-Base interactions energy: -1229.984
where: short stacking energy: -503.069
Base-Backbone interact. energy: 0.954
local terms energy: -508.344009
where:
bonds (distance) C4'-P energy: -72.109
bonds (distance) P-C4' energy: -94.531
flat angles C4'-P-C4' energy: -118.199
flat angles P-C4'-P energy: -83.032
tors. eta vs tors. theta energy: -140.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1696.664758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.664758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.664758 (E_RNA)
where:
Base-Base interactions energy: -1206.758
where: short stacking energy: -513.454
Base-Backbone interact. energy: -1.694
local terms energy: -488.212627
where:
bonds (distance) C4'-P energy: -92.114
bonds (distance) P-C4' energy: -78.141
flat angles C4'-P-C4' energy: -104.327
flat angles P-C4'-P energy: -70.489
tors. eta vs tors. theta energy: -143.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1663.670678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.670678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.670678 (E_RNA)
where:
Base-Base interactions energy: -1205.935
where: short stacking energy: -496.471
Base-Backbone interact. energy: -0.426
local terms energy: -457.309312
where:
bonds (distance) C4'-P energy: -87.879
bonds (distance) P-C4' energy: -74.608
flat angles C4'-P-C4' energy: -95.421
flat angles P-C4'-P energy: -56.857
tors. eta vs tors. theta energy: -142.545
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: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1588.781724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.781724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.781724 (E_RNA)
where:
Base-Base interactions energy: -1111.374
where: short stacking energy: -455.067
Base-Backbone interact. energy: 0.716
local terms energy: -478.123662
where:
bonds (distance) C4'-P energy: -87.231
bonds (distance) P-C4' energy: -91.463
flat angles C4'-P-C4' energy: -93.794
flat angles P-C4'-P energy: -70.810
tors. eta vs tors. theta energy: -134.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1248.788593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.788593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.788593 (E_RNA)
where:
Base-Base interactions energy: -836.111
where: short stacking energy: -335.667
Base-Backbone interact. energy: -1.079
local terms energy: -411.597896
where:
bonds (distance) C4'-P energy: -75.054
bonds (distance) P-C4' energy: -80.595
flat angles C4'-P-C4' energy: -98.105
flat angles P-C4'-P energy: -67.045
tors. eta vs tors. theta energy: -90.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1237.020430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.020430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.020430 (E_RNA)
where:
Base-Base interactions energy: -850.028
where: short stacking energy: -371.192
Base-Backbone interact. energy: -2.388
local terms energy: -384.605097
where:
bonds (distance) C4'-P energy: -65.288
bonds (distance) P-C4' energy: -88.984
flat angles C4'-P-C4' energy: -93.464
flat angles P-C4'-P energy: -53.640
tors. eta vs tors. theta energy: -83.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1028.075195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.075195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.075195 (E_RNA)
where:
Base-Base interactions energy: -674.511
where: short stacking energy: -285.225
Base-Backbone interact. energy: 0.937
local terms energy: -354.501711
where:
bonds (distance) C4'-P energy: -80.607
bonds (distance) P-C4' energy: -79.833
flat angles C4'-P-C4' energy: -77.448
flat angles P-C4'-P energy: -67.292
tors. eta vs tors. theta energy: -49.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -735.594277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.594277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.594277 (E_RNA)
where:
Base-Base interactions energy: -429.098
where: short stacking energy: -208.618
Base-Backbone interact. energy: 0.622
local terms energy: -307.118486
where:
bonds (distance) C4'-P energy: -68.317
bonds (distance) P-C4' energy: -76.173
flat angles C4'-P-C4' energy: -78.905
flat angles P-C4'-P energy: -54.487
tors. eta vs tors. theta energy: -29.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1850.093846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.093846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.093846 (E_RNA)
where:
Base-Base interactions energy: -1300.928
where: short stacking energy: -558.443
Base-Backbone interact. energy: -3.998
local terms energy: -545.168714
where:
bonds (distance) C4'-P energy: -96.509
bonds (distance) P-C4' energy: -99.153
flat angles C4'-P-C4' energy: -112.229
flat angles P-C4'-P energy: -77.805
tors. eta vs tors. theta energy: -159.473
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: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1814.009332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.009332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.009332 (E_RNA)
where:
Base-Base interactions energy: -1257.636
where: short stacking energy: -546.783
Base-Backbone interact. energy: -2.993
local terms energy: -553.380618
where:
bonds (distance) C4'-P energy: -93.819
bonds (distance) P-C4' energy: -91.941
flat angles C4'-P-C4' energy: -114.908
flat angles P-C4'-P energy: -84.858
tors. eta vs tors. theta energy: -167.854
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: 3, replica: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1731.698919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.698919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.698919 (E_RNA)
where:
Base-Base interactions energy: -1196.053
where: short stacking energy: -504.749
Base-Backbone interact. energy: -1.292
local terms energy: -534.353740
where:
bonds (distance) C4'-P energy: -92.375
bonds (distance) P-C4' energy: -104.754
flat angles C4'-P-C4' energy: -107.501
flat angles P-C4'-P energy: -86.125
tors. eta vs tors. theta energy: -143.598
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: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1718.856822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.856822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.856822 (E_RNA)
where:
Base-Base interactions energy: -1192.992
where: short stacking energy: -496.938
Base-Backbone interact. energy: -1.595
local terms energy: -524.270028
where:
bonds (distance) C4'-P energy: -93.260
bonds (distance) P-C4' energy: -99.015
flat angles C4'-P-C4' energy: -105.845
flat angles P-C4'-P energy: -77.039
tors. eta vs tors. theta energy: -149.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1665.074394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.074394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.074394 (E_RNA)
where:
Base-Base interactions energy: -1191.585
where: short stacking energy: -493.325
Base-Backbone interact. energy: 0.220
local terms energy: -473.709223
where:
bonds (distance) C4'-P energy: -90.764
bonds (distance) P-C4' energy: -76.690
flat angles C4'-P-C4' energy: -95.572
flat angles P-C4'-P energy: -71.977
tors. eta vs tors. theta energy: -138.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1531.577443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.577443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.577443 (E_RNA)
where:
Base-Base interactions energy: -1071.758
where: short stacking energy: -460.248
Base-Backbone interact. energy: -1.412
local terms energy: -458.407255
where:
bonds (distance) C4'-P energy: -80.096
bonds (distance) P-C4' energy: -92.691
flat angles C4'-P-C4' energy: -100.304
flat angles P-C4'-P energy: -57.789
tors. eta vs tors. theta energy: -127.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1269.911397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.911397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.911397 (E_RNA)
where:
Base-Base interactions energy: -834.645
where: short stacking energy: -356.758
Base-Backbone interact. energy: -2.207
local terms energy: -433.059771
where:
bonds (distance) C4'-P energy: -81.722
bonds (distance) P-C4' energy: -91.768
flat angles C4'-P-C4' energy: -108.193
flat angles P-C4'-P energy: -48.562
tors. eta vs tors. theta energy: -102.815
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: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1287.242136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.242136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.242136 (E_RNA)
where:
Base-Base interactions energy: -860.010
where: short stacking energy: -352.169
Base-Backbone interact. energy: -1.539
local terms energy: -425.692665
where:
bonds (distance) C4'-P energy: -79.196
bonds (distance) P-C4' energy: -84.464
flat angles C4'-P-C4' energy: -96.697
flat angles P-C4'-P energy: -66.334
tors. eta vs tors. theta energy: -99.003
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: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1016.790971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.790971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.790971 (E_RNA)
where:
Base-Base interactions energy: -644.838
where: short stacking energy: -283.853
Base-Backbone interact. energy: 3.879
local terms energy: -375.831560
where:
bonds (distance) C4'-P energy: -83.440
bonds (distance) P-C4' energy: -87.613
flat angles C4'-P-C4' energy: -84.066
flat angles P-C4'-P energy: -54.395
tors. eta vs tors. theta energy: -66.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -708.106999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.106999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.106999 (E_RNA)
where:
Base-Base interactions energy: -418.359
where: short stacking energy: -198.662
Base-Backbone interact. energy: 1.435
local terms energy: -291.183016
where:
bonds (distance) C4'-P energy: -73.934
bonds (distance) P-C4' energy: -73.079
flat angles C4'-P-C4' energy: -79.216
flat angles P-C4'-P energy: -45.713
tors. eta vs tors. theta energy: -19.240
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: 138
Temperature: 0.900000
Total energy: -1827.473452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.473452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.473452 (E_RNA)
where:
Base-Base interactions energy: -1276.609
where: short stacking energy: -541.002
Base-Backbone interact. energy: -2.357
local terms energy: -548.507506
where:
bonds (distance) C4'-P energy: -97.032
bonds (distance) P-C4' energy: -98.123
flat angles C4'-P-C4' energy: -119.997
flat angles P-C4'-P energy: -76.001
tors. eta vs tors. theta energy: -157.355
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: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1806.922931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.922931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.922931 (E_RNA)
where:
Base-Base interactions energy: -1270.828
where: short stacking energy: -545.740
Base-Backbone interact. energy: -0.442
local terms energy: -535.652732
where:
bonds (distance) C4'-P energy: -99.721
bonds (distance) P-C4' energy: -104.334
flat angles C4'-P-C4' energy: -104.663
flat angles P-C4'-P energy: -64.530
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: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1774.912887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.912887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.912887 (E_RNA)
where:
Base-Base interactions energy: -1249.442
where: short stacking energy: -522.310
Base-Backbone interact. energy: -1.911
local terms energy: -523.559473
where:
bonds (distance) C4'-P energy: -90.372
bonds (distance) P-C4' energy: -92.776
flat angles C4'-P-C4' energy: -109.607
flat angles P-C4'-P energy: -79.171
tors. eta vs tors. theta energy: -151.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1679.591104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.591104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.591104 (E_RNA)
where:
Base-Base interactions energy: -1199.915
where: short stacking energy: -483.681
Base-Backbone interact. energy: -0.646
local terms energy: -479.029730
where:
bonds (distance) C4'-P energy: -90.751
bonds (distance) P-C4' energy: -82.247
flat angles C4'-P-C4' energy: -102.268
flat angles P-C4'-P energy: -75.972
tors. eta vs tors. theta energy: -127.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1691.083107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.083107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.083107 (E_RNA)
where:
Base-Base interactions energy: -1199.642
where: short stacking energy: -498.684
Base-Backbone interact. energy: -3.937
local terms energy: -487.504446
where:
bonds (distance) C4'-P energy: -86.313
bonds (distance) P-C4' energy: -87.434
flat angles C4'-P-C4' energy: -105.466
flat angles P-C4'-P energy: -67.669
tors. eta vs tors. theta energy: -140.623
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: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1556.387602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.387602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.387602 (E_RNA)
where:
Base-Base interactions energy: -1105.567
where: short stacking energy: -456.754
Base-Backbone interact. energy: -1.274
local terms energy: -449.546311
where:
bonds (distance) C4'-P energy: -84.399
bonds (distance) P-C4' energy: -88.301
flat angles C4'-P-C4' energy: -91.942
flat angles P-C4'-P energy: -58.595
tors. eta vs tors. theta energy: -126.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1366.064844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.064844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.064844 (E_RNA)
where:
Base-Base interactions energy: -940.411
where: short stacking energy: -395.015
Base-Backbone interact. energy: 3.237
local terms energy: -428.890877
where:
bonds (distance) C4'-P energy: -96.010
bonds (distance) P-C4' energy: -86.636
flat angles C4'-P-C4' energy: -81.738
flat angles P-C4'-P energy: -50.652
tors. eta vs tors. theta energy: -113.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1251.582211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.582211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.582211 (E_RNA)
where:
Base-Base interactions energy: -855.836
where: short stacking energy: -364.100
Base-Backbone interact. energy: 0.377
local terms energy: -396.123311
where:
bonds (distance) C4'-P energy: -77.462
bonds (distance) P-C4' energy: -82.268
flat angles C4'-P-C4' energy: -88.836
flat angles P-C4'-P energy: -48.923
tors. eta vs tors. theta energy: -98.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1017.511337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.511337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.511337 (E_RNA)
where:
Base-Base interactions energy: -684.807
where: short stacking energy: -287.449
Base-Backbone interact. energy: 1.835
local terms energy: -334.538750
where:
bonds (distance) C4'-P energy: -68.272
bonds (distance) P-C4' energy: -89.582
flat angles C4'-P-C4' energy: -75.206
flat angles P-C4'-P energy: -49.029
tors. eta vs tors. theta energy: -52.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -734.912593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.912593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.912593 (E_RNA)
where:
Base-Base interactions energy: -414.322
where: short stacking energy: -198.419
Base-Backbone interact. energy: 1.254
local terms energy: -321.844163
where:
bonds (distance) C4'-P energy: -75.165
bonds (distance) P-C4' energy: -93.858
flat angles C4'-P-C4' energy: -83.745
flat angles P-C4'-P energy: -41.992
tors. eta vs tors. theta energy: -27.085
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: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1825.395419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.395419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.395419 (E_RNA)
where:
Base-Base interactions energy: -1284.829
where: short stacking energy: -536.562
Base-Backbone interact. energy: -2.354
local terms energy: -538.212923
where:
bonds (distance) C4'-P energy: -96.052
bonds (distance) P-C4' energy: -90.947
flat angles C4'-P-C4' energy: -110.068
flat angles P-C4'-P energy: -83.532
tors. eta vs tors. theta energy: -157.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1808.580196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.580196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.580196 (E_RNA)
where:
Base-Base interactions energy: -1262.240
where: short stacking energy: -533.764
Base-Backbone interact. energy: -2.393
local terms energy: -543.947410
where:
bonds (distance) C4'-P energy: -104.029
bonds (distance) P-C4' energy: -94.931
flat angles C4'-P-C4' energy: -108.748
flat angles P-C4'-P energy: -78.089
tors. eta vs tors. theta energy: -158.150
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: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1747.473798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.473798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.473798 (E_RNA)
where:
Base-Base interactions energy: -1242.903
where: short stacking energy: -498.418
Base-Backbone interact. energy: 0.097
local terms energy: -504.667793
where:
bonds (distance) C4'-P energy: -97.622
bonds (distance) P-C4' energy: -82.592
flat angles C4'-P-C4' energy: -102.817
flat angles P-C4'-P energy: -77.046
tors. eta vs tors. theta energy: -144.592
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: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1678.422150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.422150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.422150 (E_RNA)
where:
Base-Base interactions energy: -1174.849
where: short stacking energy: -486.923
Base-Backbone interact. energy: -3.810
local terms energy: -499.763761
where:
bonds (distance) C4'-P energy: -88.926
bonds (distance) P-C4' energy: -84.232
flat angles C4'-P-C4' energy: -103.686
flat angles P-C4'-P energy: -84.317
tors. eta vs tors. theta energy: -138.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1627.693111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.693111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.693111 (E_RNA)
where:
Base-Base interactions energy: -1146.736
where: short stacking energy: -469.395
Base-Backbone interact. energy: -2.632
local terms energy: -478.325450
where:
bonds (distance) C4'-P energy: -81.642
bonds (distance) P-C4' energy: -89.683
flat angles C4'-P-C4' energy: -97.184
flat angles P-C4'-P energy: -73.007
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: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1550.244603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.244603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.244603 (E_RNA)
where:
Base-Base interactions energy: -1093.175
where: short stacking energy: -454.344
Base-Backbone interact. energy: 2.165
local terms energy: -459.234568
where:
bonds (distance) C4'-P energy: -94.046
bonds (distance) P-C4' energy: -79.584
flat angles C4'-P-C4' energy: -84.298
flat angles P-C4'-P energy: -70.710
tors. eta vs tors. theta energy: -130.597
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: 139
Temperature: 1.200000
Total energy: -1354.817356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.817356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.817356 (E_RNA)
where:
Base-Base interactions energy: -941.849
where: short stacking energy: -397.405
Base-Backbone interact. energy: -0.762
local terms energy: -412.207131
where:
bonds (distance) C4'-P energy: -80.604
bonds (distance) P-C4' energy: -66.597
flat angles C4'-P-C4' energy: -91.047
flat angles P-C4'-P energy: -62.534
tors. eta vs tors. theta energy: -111.426
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: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1150.762802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.762802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.762802 (E_RNA)
where:
Base-Base interactions energy: -785.199
where: short stacking energy: -328.625
Base-Backbone interact. energy: 0.705
local terms energy: -366.268797
where:
bonds (distance) C4'-P energy: -83.333
bonds (distance) P-C4' energy: -77.505
flat angles C4'-P-C4' energy: -75.517
flat angles P-C4'-P energy: -47.072
tors. eta vs tors. theta energy: -82.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1071.944097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.944097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.944097 (E_RNA)
where:
Base-Base interactions energy: -708.665
where: short stacking energy: -307.208
Base-Backbone interact. energy: 0.723
local terms energy: -364.002649
where:
bonds (distance) C4'-P energy: -78.154
bonds (distance) P-C4' energy: -73.538
flat angles C4'-P-C4' energy: -86.699
flat angles P-C4'-P energy: -61.625
tors. eta vs tors. theta energy: -63.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -749.782786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.782786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.782786 (E_RNA)
where:
Base-Base interactions energy: -447.958
where: short stacking energy: -216.270
Base-Backbone interact. energy: -1.424
local terms energy: -300.400053
where:
bonds (distance) C4'-P energy: -87.406
bonds (distance) P-C4' energy: -78.164
flat angles C4'-P-C4' energy: -81.384
flat angles P-C4'-P energy: -41.203
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1834.006417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.006417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.006417 (E_RNA)
where:
Base-Base interactions energy: -1293.801
where: short stacking energy: -544.417
Base-Backbone interact. energy: -0.314
local terms energy: -539.891236
where:
bonds (distance) C4'-P energy: -94.473
bonds (distance) P-C4' energy: -89.161
flat angles C4'-P-C4' energy: -106.926
flat angles P-C4'-P energy: -85.436
tors. eta vs tors. theta energy: -163.895
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: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1767.948366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.948366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.948366 (E_RNA)
where:
Base-Base interactions energy: -1246.341
where: short stacking energy: -521.411
Base-Backbone interact. energy: -2.242
local terms energy: -519.365470
where:
bonds (distance) C4'-P energy: -81.491
bonds (distance) P-C4' energy: -89.855
flat angles C4'-P-C4' energy: -115.642
flat angles P-C4'-P energy: -83.582
tors. eta vs tors. theta energy: -148.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1771.775537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.775537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.775537 (E_RNA)
where:
Base-Base interactions energy: -1275.733
where: short stacking energy: -534.682
Base-Backbone interact. energy: -3.339
local terms energy: -492.703463
where:
bonds (distance) C4'-P energy: -85.116
bonds (distance) P-C4' energy: -74.647
flat angles C4'-P-C4' energy: -108.536
flat angles P-C4'-P energy: -71.338
tors. eta vs tors. theta energy: -153.066
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: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1658.780838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.780838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.780838 (E_RNA)
where:
Base-Base interactions energy: -1155.871
where: short stacking energy: -472.255
Base-Backbone interact. energy: -0.486
local terms energy: -502.423971
where:
bonds (distance) C4'-P energy: -85.664
bonds (distance) P-C4' energy: -92.606
flat angles C4'-P-C4' energy: -106.739
flat angles P-C4'-P energy: -76.134
tors. eta vs tors. theta energy: -141.281
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: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1645.985868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.985868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.985868 (E_RNA)
where:
Base-Base interactions energy: -1166.429
where: short stacking energy: -485.476
Base-Backbone interact. energy: -0.252
local terms energy: -479.304834
where:
bonds (distance) C4'-P energy: -89.459
bonds (distance) P-C4' energy: -86.598
flat angles C4'-P-C4' energy: -100.354
flat angles P-C4'-P energy: -61.785
tors. eta vs tors. theta energy: -141.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1551.028248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.028248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.028248 (E_RNA)
where:
Base-Base interactions energy: -1089.527
where: short stacking energy: -445.044
Base-Backbone interact. energy: -0.742
local terms energy: -460.759559
where:
bonds (distance) C4'-P energy: -79.522
bonds (distance) P-C4' energy: -90.232
flat angles C4'-P-C4' energy: -100.300
flat angles P-C4'-P energy: -67.142
tors. eta vs tors. theta energy: -123.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1344.702689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.702689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.702689 (E_RNA)
where:
Base-Base interactions energy: -935.472
where: short stacking energy: -396.064
Base-Backbone interact. energy: -2.774
local terms energy: -406.457044
where:
bonds (distance) C4'-P energy: -69.450
bonds (distance) P-C4' energy: -87.014
flat angles C4'-P-C4' energy: -99.993
flat angles P-C4'-P energy: -58.425
tors. eta vs tors. theta energy: -91.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1215.958106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.958106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.958106 (E_RNA)
where:
Base-Base interactions energy: -804.535
where: short stacking energy: -343.813
Base-Backbone interact. energy: -1.493
local terms energy: -409.930469
where:
bonds (distance) C4'-P energy: -91.502
bonds (distance) P-C4' energy: -89.934
flat angles C4'-P-C4' energy: -90.014
flat angles P-C4'-P energy: -56.619
tors. eta vs tors. theta energy: -81.862
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: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1029.320602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.320602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.320602 (E_RNA)
where:
Base-Base interactions energy: -655.166
where: short stacking energy: -289.992
Base-Backbone interact. energy: -2.217
local terms energy: -371.937353
where:
bonds (distance) C4'-P energy: -73.490
bonds (distance) P-C4' energy: -88.722
flat angles C4'-P-C4' energy: -92.591
flat angles P-C4'-P energy: -52.406
tors. eta vs tors. theta energy: -64.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -702.298418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.298418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.298418 (E_RNA)
where:
Base-Base interactions energy: -409.975
where: short stacking energy: -193.191
Base-Backbone interact. energy: -3.056
local terms energy: -289.266926
where:
bonds (distance) C4'-P energy: -72.014
bonds (distance) P-C4' energy: -84.830
flat angles C4'-P-C4' energy: -63.578
flat angles P-C4'-P energy: -48.471
tors. eta vs tors. theta energy: -20.374
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: 141
Temperature: 0.900000
Total energy: -1827.441470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.441470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.441470 (E_RNA)
where:
Base-Base interactions energy: -1272.553
where: short stacking energy: -543.430
Base-Backbone interact. energy: -2.458
local terms energy: -552.431350
where:
bonds (distance) C4'-P energy: -90.893
bonds (distance) P-C4' energy: -111.662
flat angles C4'-P-C4' energy: -110.930
flat angles P-C4'-P energy: -79.852
tors. eta vs tors. theta energy: -159.094
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: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1823.824171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.824171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.824171 (E_RNA)
where:
Base-Base interactions energy: -1267.258
where: short stacking energy: -532.172
Base-Backbone interact. energy: -3.089
local terms energy: -553.477153
where:
bonds (distance) C4'-P energy: -94.869
bonds (distance) P-C4' energy: -104.705
flat angles C4'-P-C4' energy: -122.067
flat angles P-C4'-P energy: -77.297
tors. eta vs tors. theta energy: -154.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1752.256680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.256680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.256680 (E_RNA)
where:
Base-Base interactions energy: -1228.037
where: short stacking energy: -510.302
Base-Backbone interact. energy: -2.175
local terms energy: -522.044225
where:
bonds (distance) C4'-P energy: -92.651
bonds (distance) P-C4' energy: -97.055
flat angles C4'-P-C4' energy: -104.519
flat angles P-C4'-P energy: -76.552
tors. eta vs tors. theta energy: -151.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1682.982506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.982506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.982506 (E_RNA)
where:
Base-Base interactions energy: -1185.129
where: short stacking energy: -478.511
Base-Backbone interact. energy: -3.000
local terms energy: -494.853184
where:
bonds (distance) C4'-P energy: -94.854
bonds (distance) P-C4' energy: -95.490
flat angles C4'-P-C4' energy: -103.747
flat angles P-C4'-P energy: -67.425
tors. eta vs tors. theta energy: -133.336
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: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1631.163483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.163483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.163483 (E_RNA)
where:
Base-Base interactions energy: -1147.187
where: short stacking energy: -477.501
Base-Backbone interact. energy: 1.784
local terms energy: -485.760848
where:
bonds (distance) C4'-P energy: -83.465
bonds (distance) P-C4' energy: -89.564
flat angles C4'-P-C4' energy: -94.699
flat angles P-C4'-P energy: -80.158
tors. eta vs tors. theta energy: -137.876
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: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1523.209369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.209369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.209369 (E_RNA)
where:
Base-Base interactions energy: -1064.664
where: short stacking energy: -446.121
Base-Backbone interact. energy: -1.148
local terms energy: -457.396575
where:
bonds (distance) C4'-P energy: -83.830
bonds (distance) P-C4' energy: -91.310
flat angles C4'-P-C4' energy: -94.825
flat angles P-C4'-P energy: -72.087
tors. eta vs tors. theta energy: -115.344
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: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1358.099147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.099147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.099147 (E_RNA)
where:
Base-Base interactions energy: -925.986
where: short stacking energy: -381.826
Base-Backbone interact. energy: -0.471
local terms energy: -431.641871
where:
bonds (distance) C4'-P energy: -79.452
bonds (distance) P-C4' energy: -93.166
flat angles C4'-P-C4' energy: -91.811
flat angles P-C4'-P energy: -56.091
tors. eta vs tors. theta energy: -111.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1181.367031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.367031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.367031 (E_RNA)
where:
Base-Base interactions energy: -808.294
where: short stacking energy: -352.069
Base-Backbone interact. energy: -1.835
local terms energy: -371.237745
where:
bonds (distance) C4'-P energy: -62.097
bonds (distance) P-C4' energy: -67.291
flat angles C4'-P-C4' energy: -95.450
flat angles P-C4'-P energy: -54.503
tors. eta vs tors. theta energy: -91.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -1085.215188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.215188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.215188 (E_RNA)
where:
Base-Base interactions energy: -746.378
where: short stacking energy: -301.157
Base-Backbone interact. energy: -0.666
local terms energy: -338.170975
where:
bonds (distance) C4'-P energy: -75.095
bonds (distance) P-C4' energy: -71.158
flat angles C4'-P-C4' energy: -73.686
flat angles P-C4'-P energy: -49.926
tors. eta vs tors. theta energy: -68.306
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: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -720.179407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.179407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.179407 (E_RNA)
where:
Base-Base interactions energy: -411.497
where: short stacking energy: -204.586
Base-Backbone interact. energy: 0.212
local terms energy: -308.894005
where:
bonds (distance) C4'-P energy: -73.384
bonds (distance) P-C4' energy: -85.441
flat angles C4'-P-C4' energy: -87.938
flat angles P-C4'-P energy: -25.435
tors. eta vs tors. theta energy: -36.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1837.909557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.909557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.909557 (E_RNA)
where:
Base-Base interactions energy: -1301.732
where: short stacking energy: -555.926
Base-Backbone interact. energy: -0.804
local terms energy: -535.373575
where:
bonds (distance) C4'-P energy: -97.997
bonds (distance) P-C4' energy: -91.905
flat angles C4'-P-C4' energy: -106.151
flat angles P-C4'-P energy: -84.831
tors. eta vs tors. theta energy: -154.489
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: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1785.333613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.333613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.333613 (E_RNA)
where:
Base-Base interactions energy: -1242.820
where: short stacking energy: -541.987
Base-Backbone interact. energy: -1.823
local terms energy: -540.690106
where:
bonds (distance) C4'-P energy: -95.832
bonds (distance) P-C4' energy: -94.258
flat angles C4'-P-C4' energy: -112.922
flat angles P-C4'-P energy: -73.850
tors. eta vs tors. theta energy: -163.828
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: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1745.771497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.771497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.771497 (E_RNA)
where:
Base-Base interactions energy: -1239.138
where: short stacking energy: -528.350
Base-Backbone interact. energy: -0.746
local terms energy: -505.887445
where:
bonds (distance) C4'-P energy: -84.307
bonds (distance) P-C4' energy: -89.183
flat angles C4'-P-C4' energy: -107.015
flat angles P-C4'-P energy: -71.034
tors. eta vs tors. theta energy: -154.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1641.687768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.687768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.687768 (E_RNA)
where:
Base-Base interactions energy: -1163.807
where: short stacking energy: -469.940
Base-Backbone interact. energy: -1.180
local terms energy: -476.700487
where:
bonds (distance) C4'-P energy: -82.207
bonds (distance) P-C4' energy: -91.406
flat angles C4'-P-C4' energy: -103.248
flat angles P-C4'-P energy: -68.060
tors. eta vs tors. theta energy: -131.780
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: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1609.424592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.424592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.424592 (E_RNA)
where:
Base-Base interactions energy: -1125.356
where: short stacking energy: -453.408
Base-Backbone interact. energy: 1.152
local terms energy: -485.219989
where:
bonds (distance) C4'-P energy: -85.767
bonds (distance) P-C4' energy: -86.534
flat angles C4'-P-C4' energy: -100.767
flat angles P-C4'-P energy: -80.449
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: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1534.082744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.082744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.082744 (E_RNA)
where:
Base-Base interactions energy: -1084.383
where: short stacking energy: -451.914
Base-Backbone interact. energy: -0.394
local terms energy: -449.305468
where:
bonds (distance) C4'-P energy: -77.120
bonds (distance) P-C4' energy: -90.372
flat angles C4'-P-C4' energy: -96.755
flat angles P-C4'-P energy: -66.145
tors. eta vs tors. theta energy: -118.914
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: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1366.812381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.812381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.812381 (E_RNA)
where:
Base-Base interactions energy: -923.070
where: short stacking energy: -386.891
Base-Backbone interact. energy: -2.575
local terms energy: -441.166883
where:
bonds (distance) C4'-P energy: -93.854
bonds (distance) P-C4' energy: -86.438
flat angles C4'-P-C4' energy: -91.919
flat angles P-C4'-P energy: -67.300
tors. eta vs tors. theta energy: -101.656
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: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1196.879892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.879892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.879892 (E_RNA)
where:
Base-Base interactions energy: -803.945
where: short stacking energy: -363.085
Base-Backbone interact. energy: -1.277
local terms energy: -391.658032
where:
bonds (distance) C4'-P energy: -72.872
bonds (distance) P-C4' energy: -99.203
flat angles C4'-P-C4' energy: -77.127
flat angles P-C4'-P energy: -50.128
tors. eta vs tors. theta energy: -92.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -1108.943137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.943137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.943137 (E_RNA)
where:
Base-Base interactions energy: -746.928
where: short stacking energy: -306.972
Base-Backbone interact. energy: -0.146
local terms energy: -361.869313
where:
bonds (distance) C4'-P energy: -81.536
bonds (distance) P-C4' energy: -92.754
flat angles C4'-P-C4' energy: -86.177
flat angles P-C4'-P energy: -28.480
tors. eta vs tors. theta energy: -72.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -701.729402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.729402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.729402 (E_RNA)
where:
Base-Base interactions energy: -379.088
where: short stacking energy: -191.017
Base-Backbone interact. energy: -1.469
local terms energy: -321.172319
where:
bonds (distance) C4'-P energy: -89.982
bonds (distance) P-C4' energy: -79.629
flat angles C4'-P-C4' energy: -79.172
flat angles P-C4'-P energy: -50.957
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1853.092084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.092084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.092084 (E_RNA)
where:
Base-Base interactions energy: -1304.797
where: short stacking energy: -516.911
Base-Backbone interact. energy: -1.077
local terms energy: -547.217510
where:
bonds (distance) C4'-P energy: -99.823
bonds (distance) P-C4' energy: -100.718
flat angles C4'-P-C4' energy: -116.040
flat angles P-C4'-P energy: -83.415
tors. eta vs tors. theta energy: -147.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1796.525910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.525910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.525910 (E_RNA)
where:
Base-Base interactions energy: -1261.233
where: short stacking energy: -550.704
Base-Backbone interact. energy: -1.135
local terms energy: -534.158014
where:
bonds (distance) C4'-P energy: -103.750
bonds (distance) P-C4' energy: -91.653
flat angles C4'-P-C4' energy: -103.742
flat angles P-C4'-P energy: -78.825
tors. eta vs tors. theta energy: -156.188
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: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1754.592966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.592966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.592966 (E_RNA)
where:
Base-Base interactions energy: -1236.864
where: short stacking energy: -515.710
Base-Backbone interact. energy: -0.919
local terms energy: -516.810508
where:
bonds (distance) C4'-P energy: -92.943
bonds (distance) P-C4' energy: -87.281
flat angles C4'-P-C4' energy: -109.913
flat angles P-C4'-P energy: -79.405
tors. eta vs tors. theta energy: -147.269
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: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1666.827192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.827192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.827192 (E_RNA)
where:
Base-Base interactions energy: -1171.221
where: short stacking energy: -485.016
Base-Backbone interact. energy: -1.795
local terms energy: -493.810917
where:
bonds (distance) C4'-P energy: -85.426
bonds (distance) P-C4' energy: -91.963
flat angles C4'-P-C4' energy: -104.059
flat angles P-C4'-P energy: -73.424
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: 5, replica: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1578.387923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.387923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.387923 (E_RNA)
where:
Base-Base interactions energy: -1115.378
where: short stacking energy: -477.331
Base-Backbone interact. energy: -2.241
local terms energy: -460.769277
where:
bonds (distance) C4'-P energy: -91.452
bonds (distance) P-C4' energy: -76.259
flat angles C4'-P-C4' energy: -95.110
flat angles P-C4'-P energy: -72.325
tors. eta vs tors. theta energy: -125.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1536.826500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.826500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.826500 (E_RNA)
where:
Base-Base interactions energy: -1081.147
where: short stacking energy: -451.652
Base-Backbone interact. energy: -1.072
local terms energy: -454.607713
where:
bonds (distance) C4'-P energy: -76.728
bonds (distance) P-C4' energy: -79.824
flat angles C4'-P-C4' energy: -103.657
flat angles P-C4'-P energy: -75.486
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: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1371.960529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.960529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.960529 (E_RNA)
where:
Base-Base interactions energy: -926.679
where: short stacking energy: -420.729
Base-Backbone interact. energy: -0.656
local terms energy: -444.624929
where:
bonds (distance) C4'-P energy: -71.046
bonds (distance) P-C4' energy: -76.763
flat angles C4'-P-C4' energy: -104.939
flat angles P-C4'-P energy: -68.286
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: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1137.960201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.960201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.960201 (E_RNA)
where:
Base-Base interactions energy: -750.034
where: short stacking energy: -322.633
Base-Backbone interact. energy: 0.478
local terms energy: -388.404048
where:
bonds (distance) C4'-P energy: -70.924
bonds (distance) P-C4' energy: -102.393
flat angles C4'-P-C4' energy: -95.198
flat angles P-C4'-P energy: -51.812
tors. eta vs tors. theta energy: -68.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -1147.248060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.248060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.248060 (E_RNA)
where:
Base-Base interactions energy: -771.136
where: short stacking energy: -330.572
Base-Backbone interact. energy: -0.022
local terms energy: -376.089812
where:
bonds (distance) C4'-P energy: -70.456
bonds (distance) P-C4' energy: -77.466
flat angles C4'-P-C4' energy: -88.939
flat angles P-C4'-P energy: -56.191
tors. eta vs tors. theta energy: -83.037
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: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -663.009194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.009194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.009194 (E_RNA)
where:
Base-Base interactions energy: -388.466
where: short stacking energy: -190.189
Base-Backbone interact. energy: -2.241
local terms energy: -272.302848
where:
bonds (distance) C4'-P energy: -79.378
bonds (distance) P-C4' energy: -73.239
flat angles C4'-P-C4' energy: -62.950
flat angles P-C4'-P energy: -50.946
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1854.923817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.923817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.923817 (E_RNA)
where:
Base-Base interactions energy: -1332.960
where: short stacking energy: -531.113
Base-Backbone interact. energy: -0.631
local terms energy: -521.333022
where:
bonds (distance) C4'-P energy: -90.702
bonds (distance) P-C4' energy: -96.778
flat angles C4'-P-C4' energy: -107.415
flat angles P-C4'-P energy: -76.793
tors. eta vs tors. theta energy: -149.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1799.265862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.265862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.265862 (E_RNA)
where:
Base-Base interactions energy: -1269.037
where: short stacking energy: -533.593
Base-Backbone interact. energy: -1.868
local terms energy: -528.361031
where:
bonds (distance) C4'-P energy: -83.810
bonds (distance) P-C4' energy: -98.465
flat angles C4'-P-C4' energy: -109.450
flat angles P-C4'-P energy: -86.629
tors. eta vs tors. theta energy: -150.006
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: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1751.825377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.825377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.825377 (E_RNA)
where:
Base-Base interactions energy: -1228.688
where: short stacking energy: -513.109
Base-Backbone interact. energy: -0.729
local terms energy: -522.407668
where:
bonds (distance) C4'-P energy: -87.313
bonds (distance) P-C4' energy: -91.501
flat angles C4'-P-C4' energy: -110.660
flat angles P-C4'-P energy: -77.548
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: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1672.902529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.902529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.902529 (E_RNA)
where:
Base-Base interactions energy: -1186.855
where: short stacking energy: -475.952
Base-Backbone interact. energy: 3.044
local terms energy: -489.091865
where:
bonds (distance) C4'-P energy: -79.366
bonds (distance) P-C4' energy: -92.420
flat angles C4'-P-C4' energy: -102.995
flat angles P-C4'-P energy: -70.288
tors. eta vs tors. theta energy: -144.023
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: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1622.714171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.714171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.714171 (E_RNA)
where:
Base-Base interactions energy: -1134.965
where: short stacking energy: -480.858
Base-Backbone interact. energy: -3.418
local terms energy: -484.331205
where:
bonds (distance) C4'-P energy: -90.887
bonds (distance) P-C4' energy: -87.037
flat angles C4'-P-C4' energy: -109.224
flat angles P-C4'-P energy: -58.755
tors. eta vs tors. theta energy: -138.429
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: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1533.590561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.590561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.590561 (E_RNA)
where:
Base-Base interactions energy: -1087.041
where: short stacking energy: -436.533
Base-Backbone interact. energy: -1.643
local terms energy: -444.906293
where:
bonds (distance) C4'-P energy: -79.737
bonds (distance) P-C4' energy: -81.183
flat angles C4'-P-C4' energy: -91.710
flat angles P-C4'-P energy: -60.911
tors. eta vs tors. theta energy: -131.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1406.776916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.776916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.776916 (E_RNA)
where:
Base-Base interactions energy: -977.468
where: short stacking energy: -428.304
Base-Backbone interact. energy: 0.850
local terms energy: -430.158750
where:
bonds (distance) C4'-P energy: -79.838
bonds (distance) P-C4' energy: -89.792
flat angles C4'-P-C4' energy: -90.426
flat angles P-C4'-P energy: -49.785
tors. eta vs tors. theta energy: -120.318
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: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1143.901187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.901187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.901187 (E_RNA)
where:
Base-Base interactions energy: -779.049
where: short stacking energy: -339.576
Base-Backbone interact. energy: 0.163
local terms energy: -365.015390
where:
bonds (distance) C4'-P energy: -68.003
bonds (distance) P-C4' energy: -84.486
flat angles C4'-P-C4' energy: -93.737
flat angles P-C4'-P energy: -51.109
tors. eta vs tors. theta energy: -67.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -1256.132810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.132810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.132810 (E_RNA)
where:
Base-Base interactions energy: -860.102
where: short stacking energy: -364.065
Base-Backbone interact. energy: 0.179
local terms energy: -396.209319
where:
bonds (distance) C4'-P energy: -75.646
bonds (distance) P-C4' energy: -76.941
flat angles C4'-P-C4' energy: -86.366
flat angles P-C4'-P energy: -62.807
tors. eta vs tors. theta energy: -94.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -683.815602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.815602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.815602 (E_RNA)
where:
Base-Base interactions energy: -389.717
where: short stacking energy: -204.498
Base-Backbone interact. energy: -3.181
local terms energy: -290.918380
where:
bonds (distance) C4'-P energy: -79.430
bonds (distance) P-C4' energy: -82.128
flat angles C4'-P-C4' energy: -66.336
flat angles P-C4'-P energy: -44.387
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1837.968483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.968483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.968483 (E_RNA)
where:
Base-Base interactions energy: -1301.204
where: short stacking energy: -528.554
Base-Backbone interact. energy: -2.761
local terms energy: -534.003081
where:
bonds (distance) C4'-P energy: -84.444
bonds (distance) P-C4' energy: -105.359
flat angles C4'-P-C4' energy: -115.014
flat angles P-C4'-P energy: -80.818
tors. eta vs tors. theta energy: -148.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1804.168568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.168568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.168568 (E_RNA)
where:
Base-Base interactions energy: -1296.274
where: short stacking energy: -546.872
Base-Backbone interact. energy: -0.385
local terms energy: -507.509668
where:
bonds (distance) C4'-P energy: -86.268
bonds (distance) P-C4' energy: -74.783
flat angles C4'-P-C4' energy: -110.873
flat angles P-C4'-P energy: -72.340
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: 3, replica: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1744.890466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.890466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.890466 (E_RNA)
where:
Base-Base interactions energy: -1229.264
where: short stacking energy: -522.210
Base-Backbone interact. energy: -0.840
local terms energy: -514.787143
where:
bonds (distance) C4'-P energy: -93.813
bonds (distance) P-C4' energy: -89.818
flat angles C4'-P-C4' energy: -113.535
flat angles P-C4'-P energy: -72.245
tors. eta vs tors. theta energy: -145.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1677.723410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.723410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.723410 (E_RNA)
where:
Base-Base interactions energy: -1167.509
where: short stacking energy: -475.797
Base-Backbone interact. energy: -2.183
local terms energy: -508.031616
where:
bonds (distance) C4'-P energy: -91.961
bonds (distance) P-C4' energy: -93.076
flat angles C4'-P-C4' energy: -113.755
flat angles P-C4'-P energy: -69.852
tors. eta vs tors. theta energy: -139.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1603.269818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.269818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.269818 (E_RNA)
where:
Base-Base interactions energy: -1120.021
where: short stacking energy: -458.183
Base-Backbone interact. energy: -1.734
local terms energy: -481.515139
where:
bonds (distance) C4'-P energy: -82.707
bonds (distance) P-C4' energy: -92.379
flat angles C4'-P-C4' energy: -101.413
flat angles P-C4'-P energy: -73.552
tors. eta vs tors. theta energy: -131.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1554.819833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.819833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.819833 (E_RNA)
where:
Base-Base interactions energy: -1108.205
where: short stacking energy: -445.780
Base-Backbone interact. energy: -1.520
local terms energy: -445.095226
where:
bonds (distance) C4'-P energy: -72.144
bonds (distance) P-C4' energy: -88.802
flat angles C4'-P-C4' energy: -101.017
flat angles P-C4'-P energy: -53.240
tors. eta vs tors. theta energy: -129.892
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: 145
Temperature: 1.200000
Total energy: -1374.808920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.808920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.808920 (E_RNA)
where:
Base-Base interactions energy: -927.000
where: short stacking energy: -387.397
Base-Backbone interact. energy: 5.111
local terms energy: -452.919791
where:
bonds (distance) C4'-P energy: -91.256
bonds (distance) P-C4' energy: -90.966
flat angles C4'-P-C4' energy: -102.216
flat angles P-C4'-P energy: -59.861
tors. eta vs tors. theta energy: -108.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1275.561898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.561898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.561898 (E_RNA)
where:
Base-Base interactions energy: -900.431
where: short stacking energy: -371.454
Base-Backbone interact. energy: 0.405
local terms energy: -375.536186
where:
bonds (distance) C4'-P energy: -74.343
bonds (distance) P-C4' energy: -73.666
flat angles C4'-P-C4' energy: -82.551
flat angles P-C4'-P energy: -63.104
tors. eta vs tors. theta energy: -81.872
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: 4
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1121.011832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.011832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.011832 (E_RNA)
where:
Base-Base interactions energy: -741.343
where: short stacking energy: -320.260
Base-Backbone interact. energy: -1.983
local terms energy: -377.685823
where:
bonds (distance) C4'-P energy: -87.967
bonds (distance) P-C4' energy: -75.621
flat angles C4'-P-C4' energy: -75.169
flat angles P-C4'-P energy: -62.330
tors. eta vs tors. theta energy: -76.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -654.142945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.142945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.142945 (E_RNA)
where:
Base-Base interactions energy: -361.944
where: short stacking energy: -168.598
Base-Backbone interact. energy: -0.809
local terms energy: -291.389904
where:
bonds (distance) C4'-P energy: -78.223
bonds (distance) P-C4' energy: -96.013
flat angles C4'-P-C4' energy: -80.260
flat angles P-C4'-P energy: -27.152
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1825.101908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.101908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.101908 (E_RNA)
where:
Base-Base interactions energy: -1293.169
where: short stacking energy: -528.291
Base-Backbone interact. energy: -3.040
local terms energy: -528.892884
where:
bonds (distance) C4'-P energy: -99.996
bonds (distance) P-C4' energy: -109.034
flat angles C4'-P-C4' energy: -103.953
flat angles P-C4'-P energy: -74.820
tors. eta vs tors. theta energy: -141.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1807.948753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.948753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.948753 (E_RNA)
where:
Base-Base interactions energy: -1251.580
where: short stacking energy: -528.339
Base-Backbone interact. energy: -1.115
local terms energy: -555.254266
where:
bonds (distance) C4'-P energy: -105.946
bonds (distance) P-C4' energy: -96.142
flat angles C4'-P-C4' energy: -113.867
flat angles P-C4'-P energy: -77.057
tors. eta vs tors. theta energy: -162.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1768.994690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.994690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.994690 (E_RNA)
where:
Base-Base interactions energy: -1240.251
where: short stacking energy: -521.490
Base-Backbone interact. energy: -1.868
local terms energy: -526.875830
where:
bonds (distance) C4'-P energy: -81.042
bonds (distance) P-C4' energy: -96.740
flat angles C4'-P-C4' energy: -109.752
flat angles P-C4'-P energy: -85.875
tors. eta vs tors. theta energy: -153.466
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: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1685.649874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.649874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.649874 (E_RNA)
where:
Base-Base interactions energy: -1197.955
where: short stacking energy: -487.384
Base-Backbone interact. energy: -0.869
local terms energy: -486.825992
where:
bonds (distance) C4'-P energy: -88.828
bonds (distance) P-C4' energy: -94.300
flat angles C4'-P-C4' energy: -100.716
flat angles P-C4'-P energy: -64.343
tors. eta vs tors. theta energy: -138.639
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: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1597.527809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.527809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.527809 (E_RNA)
where:
Base-Base interactions energy: -1115.959
where: short stacking energy: -489.680
Base-Backbone interact. energy: -2.593
local terms energy: -478.975900
where:
bonds (distance) C4'-P energy: -91.998
bonds (distance) P-C4' energy: -83.782
flat angles C4'-P-C4' energy: -103.986
flat angles P-C4'-P energy: -63.159
tors. eta vs tors. theta energy: -136.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1566.571792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.571792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.571792 (E_RNA)
where:
Base-Base interactions energy: -1086.015
where: short stacking energy: -468.222
Base-Backbone interact. energy: -0.966
local terms energy: -479.590175
where:
bonds (distance) C4'-P energy: -91.636
bonds (distance) P-C4' energy: -91.668
flat angles C4'-P-C4' energy: -103.675
flat angles P-C4'-P energy: -63.631
tors. eta vs tors. theta energy: -128.980
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: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1370.817212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.817212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.817212 (E_RNA)
where:
Base-Base interactions energy: -955.414
where: short stacking energy: -411.144
Base-Backbone interact. energy: -0.161
local terms energy: -415.242344
where:
bonds (distance) C4'-P energy: -68.644
bonds (distance) P-C4' energy: -82.511
flat angles C4'-P-C4' energy: -92.262
flat angles P-C4'-P energy: -60.100
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: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1228.093119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.093119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.093119 (E_RNA)
where:
Base-Base interactions energy: -873.124
where: short stacking energy: -369.029
Base-Backbone interact. energy: 3.527
local terms energy: -358.495704
where:
bonds (distance) C4'-P energy: -69.052
bonds (distance) P-C4' energy: -72.627
flat angles C4'-P-C4' energy: -83.894
flat angles P-C4'-P energy: -58.162
tors. eta vs tors. theta energy: -74.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1120.460405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.460405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.460405 (E_RNA)
where:
Base-Base interactions energy: -776.762
where: short stacking energy: -331.109
Base-Backbone interact. energy: -2.167
local terms energy: -341.531109
where:
bonds (distance) C4'-P energy: -83.596
bonds (distance) P-C4' energy: -64.759
flat angles C4'-P-C4' energy: -67.123
flat angles P-C4'-P energy: -52.234
tors. eta vs tors. theta energy: -73.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -657.682461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.682461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.682461 (E_RNA)
where:
Base-Base interactions energy: -386.124
where: short stacking energy: -187.303
Base-Backbone interact. energy: -1.324
local terms energy: -270.235083
where:
bonds (distance) C4'-P energy: -76.757
bonds (distance) P-C4' energy: -77.017
flat angles C4'-P-C4' energy: -71.406
flat angles P-C4'-P energy: -39.604
tors. eta vs tors. theta energy: -5.451
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: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1835.082980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.082980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.082980 (E_RNA)
where:
Base-Base interactions energy: -1308.843
where: short stacking energy: -531.217
Base-Backbone interact. energy: -0.606
local terms energy: -525.633151
where:
bonds (distance) C4'-P energy: -92.014
bonds (distance) P-C4' energy: -84.227
flat angles C4'-P-C4' energy: -115.332
flat angles P-C4'-P energy: -84.261
tors. eta vs tors. theta energy: -149.800
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: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1816.161217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.161217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.161217 (E_RNA)
where:
Base-Base interactions energy: -1277.380
where: short stacking energy: -523.916
Base-Backbone interact. energy: -0.858
local terms energy: -537.923664
where:
bonds (distance) C4'-P energy: -97.757
bonds (distance) P-C4' energy: -91.806
flat angles C4'-P-C4' energy: -115.923
flat angles P-C4'-P energy: -74.839
tors. eta vs tors. theta energy: -157.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1746.133159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.133159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.133159 (E_RNA)
where:
Base-Base interactions energy: -1245.623
where: short stacking energy: -518.498
Base-Backbone interact. energy: 5.474
local terms energy: -505.984043
where:
bonds (distance) C4'-P energy: -84.189
bonds (distance) P-C4' energy: -81.584
flat angles C4'-P-C4' energy: -113.019
flat angles P-C4'-P energy: -76.800
tors. eta vs tors. theta energy: -150.393
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: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1643.163406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.163406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.163406 (E_RNA)
where:
Base-Base interactions energy: -1171.969
where: short stacking energy: -476.520
Base-Backbone interact. energy: -1.902
local terms energy: -469.292075
where:
bonds (distance) C4'-P energy: -91.647
bonds (distance) P-C4' energy: -91.730
flat angles C4'-P-C4' energy: -92.789
flat angles P-C4'-P energy: -64.216
tors. eta vs tors. theta energy: -128.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1636.588508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.588508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.588508 (E_RNA)
where:
Base-Base interactions energy: -1150.359
where: short stacking energy: -475.116
Base-Backbone interact. energy: 1.451
local terms energy: -487.680409
where:
bonds (distance) C4'-P energy: -89.704
bonds (distance) P-C4' energy: -88.044
flat angles C4'-P-C4' energy: -94.961
flat angles P-C4'-P energy: -75.982
tors. eta vs tors. theta energy: -138.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1551.231391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.231391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.231391 (E_RNA)
where:
Base-Base interactions energy: -1086.884
where: short stacking energy: -456.782
Base-Backbone interact. energy: -1.106
local terms energy: -463.241560
where:
bonds (distance) C4'-P energy: -90.532
bonds (distance) P-C4' energy: -78.450
flat angles C4'-P-C4' energy: -105.543
flat angles P-C4'-P energy: -56.914
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: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1367.919995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.919995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.919995 (E_RNA)
where:
Base-Base interactions energy: -945.342
where: short stacking energy: -396.423
Base-Backbone interact. energy: -1.886
local terms energy: -420.692044
where:
bonds (distance) C4'-P energy: -99.213
bonds (distance) P-C4' energy: -69.495
flat angles C4'-P-C4' energy: -96.436
flat angles P-C4'-P energy: -57.957
tors. eta vs tors. theta energy: -97.591
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: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1238.027579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.027579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.027579 (E_RNA)
where:
Base-Base interactions energy: -830.032
where: short stacking energy: -352.767
Base-Backbone interact. energy: 2.241
local terms energy: -410.236617
where:
bonds (distance) C4'-P energy: -87.761
bonds (distance) P-C4' energy: -74.684
flat angles C4'-P-C4' energy: -93.658
flat angles P-C4'-P energy: -54.510
tors. eta vs tors. theta energy: -99.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -1074.912726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.912726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.912726 (E_RNA)
where:
Base-Base interactions energy: -738.445
where: short stacking energy: -310.926
Base-Backbone interact. energy: 7.563
local terms energy: -344.030344
where:
bonds (distance) C4'-P energy: -64.456
bonds (distance) P-C4' energy: -75.936
flat angles C4'-P-C4' energy: -83.300
flat angles P-C4'-P energy: -52.692
tors. eta vs tors. theta energy: -67.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -680.146779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.146779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.146779 (E_RNA)
where:
Base-Base interactions energy: -401.653
where: short stacking energy: -194.159
Base-Backbone interact. energy: 3.085
local terms energy: -281.578950
where:
bonds (distance) C4'-P energy: -58.942
bonds (distance) P-C4' energy: -65.347
flat angles C4'-P-C4' energy: -79.657
flat angles P-C4'-P energy: -55.362
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1834.933464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.933464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.933464 (E_RNA)
where:
Base-Base interactions energy: -1285.350
where: short stacking energy: -521.826
Base-Backbone interact. energy: 4.523
local terms energy: -554.106517
where:
bonds (distance) C4'-P energy: -95.401
bonds (distance) P-C4' energy: -100.987
flat angles C4'-P-C4' energy: -119.125
flat angles P-C4'-P energy: -89.083
tors. eta vs tors. theta energy: -149.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1777.664026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.664026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.664026 (E_RNA)
where:
Base-Base interactions energy: -1251.487
where: short stacking energy: -512.049
Base-Backbone interact. energy: -0.518
local terms energy: -525.658778
where:
bonds (distance) C4'-P energy: -95.051
bonds (distance) P-C4' energy: -95.420
flat angles C4'-P-C4' energy: -107.892
flat angles P-C4'-P energy: -70.930
tors. eta vs tors. theta energy: -156.365
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: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1753.829719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.829719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.829719 (E_RNA)
where:
Base-Base interactions energy: -1235.278
where: short stacking energy: -512.151
Base-Backbone interact. energy: -1.659
local terms energy: -516.893119
where:
bonds (distance) C4'-P energy: -87.617
bonds (distance) P-C4' energy: -93.627
flat angles C4'-P-C4' energy: -102.074
flat angles P-C4'-P energy: -76.858
tors. eta vs tors. theta energy: -156.718
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: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1675.263915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.263915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.263915 (E_RNA)
where:
Base-Base interactions energy: -1181.263
where: short stacking energy: -477.042
Base-Backbone interact. energy: -3.064
local terms energy: -490.936785
where:
bonds (distance) C4'-P energy: -82.738
bonds (distance) P-C4' energy: -94.572
flat angles C4'-P-C4' energy: -98.761
flat angles P-C4'-P energy: -76.064
tors. eta vs tors. theta energy: -138.802
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: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1579.918822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.918822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.918822 (E_RNA)
where:
Base-Base interactions energy: -1106.475
where: short stacking energy: -465.693
Base-Backbone interact. energy: 0.127
local terms energy: -473.571019
where:
bonds (distance) C4'-P energy: -84.547
bonds (distance) P-C4' energy: -88.206
flat angles C4'-P-C4' energy: -100.368
flat angles P-C4'-P energy: -71.371
tors. eta vs tors. theta energy: -129.079
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: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1519.948691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.948691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.948691 (E_RNA)
where:
Base-Base interactions energy: -1054.341
where: short stacking energy: -432.987
Base-Backbone interact. energy: 0.429
local terms energy: -466.037480
where:
bonds (distance) C4'-P energy: -89.038
bonds (distance) P-C4' energy: -86.305
flat angles C4'-P-C4' energy: -105.630
flat angles P-C4'-P energy: -55.840
tors. eta vs tors. theta energy: -129.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1373.832392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.832392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.832392 (E_RNA)
where:
Base-Base interactions energy: -934.885
where: short stacking energy: -399.580
Base-Backbone interact. energy: -1.631
local terms energy: -437.316105
where:
bonds (distance) C4'-P energy: -80.156
bonds (distance) P-C4' energy: -78.245
flat angles C4'-P-C4' energy: -99.410
flat angles P-C4'-P energy: -71.050
tors. eta vs tors. theta energy: -108.455
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: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1229.910503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.910503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.910503 (E_RNA)
where:
Base-Base interactions energy: -824.444
where: short stacking energy: -341.925
Base-Backbone interact. energy: 0.100
local terms energy: -405.567028
where:
bonds (distance) C4'-P energy: -88.137
bonds (distance) P-C4' energy: -71.865
flat angles C4'-P-C4' energy: -103.165
flat angles P-C4'-P energy: -57.684
tors. eta vs tors. theta energy: -84.715
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: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1077.211989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.211989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.211989 (E_RNA)
where:
Base-Base interactions energy: -712.517
where: short stacking energy: -321.922
Base-Backbone interact. energy: -2.745
local terms energy: -361.949303
where:
bonds (distance) C4'-P energy: -62.820
bonds (distance) P-C4' energy: -83.705
flat angles C4'-P-C4' energy: -82.386
flat angles P-C4'-P energy: -56.177
tors. eta vs tors. theta energy: -76.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -662.967094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.967094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.967094 (E_RNA)
where:
Base-Base interactions energy: -389.059
where: short stacking energy: -189.678
Base-Backbone interact. energy: -1.032
local terms energy: -272.876377
where:
bonds (distance) C4'-P energy: -83.936
bonds (distance) P-C4' energy: -69.172
flat angles C4'-P-C4' energy: -56.382
flat angles P-C4'-P energy: -40.708
tors. eta vs tors. theta energy: -22.677
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: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1824.386583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.386583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.386583 (E_RNA)
where:
Base-Base interactions energy: -1298.441
where: short stacking energy: -530.985
Base-Backbone interact. energy: -2.003
local terms energy: -523.942299
where:
bonds (distance) C4'-P energy: -94.998
bonds (distance) P-C4' energy: -93.975
flat angles C4'-P-C4' energy: -110.406
flat angles P-C4'-P energy: -85.250
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: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1792.002850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.002850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.002850 (E_RNA)
where:
Base-Base interactions energy: -1247.516
where: short stacking energy: -521.490
Base-Backbone interact. energy: -0.587
local terms energy: -543.900284
where:
bonds (distance) C4'-P energy: -92.255
bonds (distance) P-C4' energy: -107.497
flat angles C4'-P-C4' energy: -115.185
flat angles P-C4'-P energy: -76.306
tors. eta vs tors. theta energy: -152.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1761.042972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.042972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.042972 (E_RNA)
where:
Base-Base interactions energy: -1222.562
where: short stacking energy: -522.781
Base-Backbone interact. energy: -2.568
local terms energy: -535.913118
where:
bonds (distance) C4'-P energy: -96.254
bonds (distance) P-C4' energy: -99.986
flat angles C4'-P-C4' energy: -114.962
flat angles P-C4'-P energy: -69.448
tors. eta vs tors. theta energy: -155.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1622.662232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.662232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.662232 (E_RNA)
where:
Base-Base interactions energy: -1141.976
where: short stacking energy: -466.486
Base-Backbone interact. energy: 4.843
local terms energy: -485.529567
where:
bonds (distance) C4'-P energy: -93.685
bonds (distance) P-C4' energy: -83.240
flat angles C4'-P-C4' energy: -100.344
flat angles P-C4'-P energy: -81.101
tors. eta vs tors. theta energy: -127.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1644.556108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.556108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.556108 (E_RNA)
where:
Base-Base interactions energy: -1177.329
where: short stacking energy: -485.392
Base-Backbone interact. energy: -2.009
local terms energy: -465.217663
where:
bonds (distance) C4'-P energy: -93.179
bonds (distance) P-C4' energy: -74.581
flat angles C4'-P-C4' energy: -103.220
flat angles P-C4'-P energy: -64.629
tors. eta vs tors. theta energy: -129.610
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: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1562.226949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.226949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.226949 (E_RNA)
where:
Base-Base interactions energy: -1096.708
where: short stacking energy: -453.502
Base-Backbone interact. energy: -0.436
local terms energy: -465.082579
where:
bonds (distance) C4'-P energy: -70.265
bonds (distance) P-C4' energy: -101.896
flat angles C4'-P-C4' energy: -97.434
flat angles P-C4'-P energy: -63.296
tors. eta vs tors. theta energy: -132.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1397.680440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.680440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.680440 (E_RNA)
where:
Base-Base interactions energy: -971.647
where: short stacking energy: -393.923
Base-Backbone interact. energy: -0.983
local terms energy: -425.050331
where:
bonds (distance) C4'-P energy: -86.375
bonds (distance) P-C4' energy: -85.629
flat angles C4'-P-C4' energy: -83.451
flat angles P-C4'-P energy: -59.829
tors. eta vs tors. theta energy: -109.766
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: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1152.856898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.856898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.856898 (E_RNA)
where:
Base-Base interactions energy: -773.738
where: short stacking energy: -360.144
Base-Backbone interact. energy: -0.760
local terms energy: -378.358932
where:
bonds (distance) C4'-P energy: -71.949
bonds (distance) P-C4' energy: -79.059
flat angles C4'-P-C4' energy: -90.173
flat angles P-C4'-P energy: -54.156
tors. eta vs tors. theta energy: -83.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1044.388410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.388410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.388410 (E_RNA)
where:
Base-Base interactions energy: -689.194
where: short stacking energy: -282.251
Base-Backbone interact. energy: -1.181
local terms energy: -354.013394
where:
bonds (distance) C4'-P energy: -82.771
bonds (distance) P-C4' energy: -79.622
flat angles C4'-P-C4' energy: -81.782
flat angles P-C4'-P energy: -50.317
tors. eta vs tors. theta energy: -59.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -690.300294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.300294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.300294 (E_RNA)
where:
Base-Base interactions energy: -394.992
where: short stacking energy: -197.835
Base-Backbone interact. energy: -5.074
local terms energy: -290.234450
where:
bonds (distance) C4'-P energy: -81.763
bonds (distance) P-C4' energy: -73.131
flat angles C4'-P-C4' energy: -80.001
flat angles P-C4'-P energy: -33.697
tors. eta vs tors. theta energy: -21.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1825.722966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.722966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.722966 (E_RNA)
where:
Base-Base interactions energy: -1295.119
where: short stacking energy: -541.059
Base-Backbone interact. energy: -2.284
local terms energy: -528.320196
where:
bonds (distance) C4'-P energy: -87.662
bonds (distance) P-C4' energy: -101.869
flat angles C4'-P-C4' energy: -105.085
flat angles P-C4'-P energy: -76.489
tors. eta vs tors. theta energy: -157.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1786.344681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.344681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.344681 (E_RNA)
where:
Base-Base interactions energy: -1267.145
where: short stacking energy: -513.213
Base-Backbone interact. energy: -1.919
local terms energy: -517.280917
where:
bonds (distance) C4'-P energy: -92.904
bonds (distance) P-C4' energy: -94.658
flat angles C4'-P-C4' energy: -108.283
flat angles P-C4'-P energy: -68.499
tors. eta vs tors. theta energy: -152.937
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: 150
Temperature: 1.000000
Total energy: -1750.399186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.399186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.399186 (E_RNA)
where:
Base-Base interactions energy: -1231.761
where: short stacking energy: -528.538
Base-Backbone interact. energy: -0.293
local terms energy: -518.344989
where:
bonds (distance) C4'-P energy: -87.020
bonds (distance) P-C4' energy: -106.160
flat angles C4'-P-C4' energy: -101.225
flat angles P-C4'-P energy: -71.172
tors. eta vs tors. theta energy: -152.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1633.907929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.907929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.907929 (E_RNA)
where:
Base-Base interactions energy: -1174.582
where: short stacking energy: -464.829
Base-Backbone interact. energy: 2.735
local terms energy: -462.060427
where:
bonds (distance) C4'-P energy: -83.214
bonds (distance) P-C4' energy: -84.092
flat angles C4'-P-C4' energy: -89.742
flat angles P-C4'-P energy: -74.100
tors. eta vs tors. theta energy: -130.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1626.768005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.768005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.768005 (E_RNA)
where:
Base-Base interactions energy: -1139.045
where: short stacking energy: -459.041
Base-Backbone interact. energy: -3.986
local terms energy: -483.736825
where:
bonds (distance) C4'-P energy: -92.366
bonds (distance) P-C4' energy: -84.849
flat angles C4'-P-C4' energy: -105.450
flat angles P-C4'-P energy: -73.308
tors. eta vs tors. theta energy: -127.764
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: 150
Temperature: 1.150000
Total energy: -1539.833277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.833277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.833277 (E_RNA)
where:
Base-Base interactions energy: -1101.967
where: short stacking energy: -418.732
Base-Backbone interact. energy: 0.649
local terms energy: -438.515248
where:
bonds (distance) C4'-P energy: -78.932
bonds (distance) P-C4' energy: -71.419
flat angles C4'-P-C4' energy: -101.840
flat angles P-C4'-P energy: -68.645
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: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1451.756957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.756957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.756957 (E_RNA)
where:
Base-Base interactions energy: -1024.202
where: short stacking energy: -454.252
Base-Backbone interact. energy: -2.607
local terms energy: -424.948729
where:
bonds (distance) C4'-P energy: -66.367
bonds (distance) P-C4' energy: -90.492
flat angles C4'-P-C4' energy: -91.699
flat angles P-C4'-P energy: -65.661
tors. eta vs tors. theta energy: -110.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1185.510060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.510060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.510060 (E_RNA)
where:
Base-Base interactions energy: -810.513
where: short stacking energy: -337.097
Base-Backbone interact. energy: -2.176
local terms energy: -372.821383
where:
bonds (distance) C4'-P energy: -70.339
bonds (distance) P-C4' energy: -77.635
flat angles C4'-P-C4' energy: -93.759
flat angles P-C4'-P energy: -42.731
tors. eta vs tors. theta energy: -88.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1064.735536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.735536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.735536 (E_RNA)
where:
Base-Base interactions energy: -720.909
where: short stacking energy: -285.847
Base-Backbone interact. energy: 0.550
local terms energy: -344.376701
where:
bonds (distance) C4'-P energy: -77.723
bonds (distance) P-C4' energy: -80.829
flat angles C4'-P-C4' energy: -81.453
flat angles P-C4'-P energy: -53.300
tors. eta vs tors. theta energy: -51.072
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: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -669.677329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.677329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.677329 (E_RNA)
where:
Base-Base interactions energy: -354.717
where: short stacking energy: -191.842
Base-Backbone interact. energy: -1.702
local terms energy: -313.257963
where:
bonds (distance) C4'-P energy: -85.054
bonds (distance) P-C4' energy: -83.653
flat angles C4'-P-C4' energy: -79.704
flat angles P-C4'-P energy: -44.273
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1843.228280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.228280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.228280 (E_RNA)
where:
Base-Base interactions energy: -1308.393
where: short stacking energy: -535.265
Base-Backbone interact. energy: -2.029
local terms energy: -532.806282
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -92.999
flat angles C4'-P-C4' energy: -106.265
flat angles P-C4'-P energy: -85.602
tors. eta vs tors. theta energy: -153.488
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: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1778.676122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.676122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.676122 (E_RNA)
where:
Base-Base interactions energy: -1254.600
where: short stacking energy: -511.951
Base-Backbone interact. energy: -0.919
local terms energy: -523.156905
where:
bonds (distance) C4'-P energy: -90.357
bonds (distance) P-C4' energy: -100.038
flat angles C4'-P-C4' energy: -103.912
flat angles P-C4'-P energy: -85.752
tors. eta vs tors. theta energy: -143.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1769.461051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.461051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.461051 (E_RNA)
where:
Base-Base interactions energy: -1242.212
where: short stacking energy: -515.849
Base-Backbone interact. energy: -1.054
local terms energy: -526.195654
where:
bonds (distance) C4'-P energy: -89.225
bonds (distance) P-C4' energy: -82.657
flat angles C4'-P-C4' energy: -116.595
flat angles P-C4'-P energy: -82.329
tors. eta vs tors. theta energy: -155.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1681.116114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.116114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.116114 (E_RNA)
where:
Base-Base interactions energy: -1186.361
where: short stacking energy: -500.461
Base-Backbone interact. energy: -0.662
local terms energy: -494.093192
where:
bonds (distance) C4'-P energy: -100.083
bonds (distance) P-C4' energy: -88.172
flat angles C4'-P-C4' energy: -104.468
flat angles P-C4'-P energy: -64.042
tors. eta vs tors. theta energy: -137.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1604.109528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.109528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.109528 (E_RNA)
where:
Base-Base interactions energy: -1143.426
where: short stacking energy: -464.774
Base-Backbone interact. energy: -2.180
local terms energy: -458.503881
where:
bonds (distance) C4'-P energy: -80.318
bonds (distance) P-C4' energy: -84.030
flat angles C4'-P-C4' energy: -92.800
flat angles P-C4'-P energy: -73.106
tors. eta vs tors. theta energy: -128.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1521.806863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.806863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.806863 (E_RNA)
where:
Base-Base interactions energy: -1072.198
where: short stacking energy: -457.639
Base-Backbone interact. energy: 1.382
local terms energy: -450.990989
where:
bonds (distance) C4'-P energy: -72.698
bonds (distance) P-C4' energy: -93.460
flat angles C4'-P-C4' energy: -105.712
flat angles P-C4'-P energy: -54.957
tors. eta vs tors. theta energy: -124.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1376.231029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.231029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.231029 (E_RNA)
where:
Base-Base interactions energy: -955.167
where: short stacking energy: -404.935
Base-Backbone interact. energy: 1.286
local terms energy: -422.350277
where:
bonds (distance) C4'-P energy: -74.595
bonds (distance) P-C4' energy: -88.524
flat angles C4'-P-C4' energy: -95.380
flat angles P-C4'-P energy: -55.220
tors. eta vs tors. theta energy: -108.632
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: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1228.967157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.967157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.967157 (E_RNA)
where:
Base-Base interactions energy: -825.027
where: short stacking energy: -350.921
Base-Backbone interact. energy: 0.303
local terms energy: -404.243219
where:
bonds (distance) C4'-P energy: -76.266
bonds (distance) P-C4' energy: -94.276
flat angles C4'-P-C4' energy: -89.057
flat angles P-C4'-P energy: -62.432
tors. eta vs tors. theta energy: -82.212
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: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1121.122860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.122860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.122860 (E_RNA)
where:
Base-Base interactions energy: -762.197
where: short stacking energy: -315.849
Base-Backbone interact. energy: -1.695
local terms energy: -357.231312
where:
bonds (distance) C4'-P energy: -71.669
bonds (distance) P-C4' energy: -91.218
flat angles C4'-P-C4' energy: -87.035
flat angles P-C4'-P energy: -44.410
tors. eta vs tors. theta energy: -62.898
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: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -672.750792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.750792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.750792 (E_RNA)
where:
Base-Base interactions energy: -348.381
where: short stacking energy: -186.115
Base-Backbone interact. energy: 3.442
local terms energy: -327.811787
where:
bonds (distance) C4'-P energy: -74.680
bonds (distance) P-C4' energy: -103.753
flat angles C4'-P-C4' energy: -60.585
flat angles P-C4'-P energy: -59.286
tors. eta vs tors. theta energy: -29.508
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: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1837.159955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.159955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.159955 (E_RNA)
where:
Base-Base interactions energy: -1302.875
where: short stacking energy: -535.465
Base-Backbone interact. energy: 0.029
local terms energy: -534.313980
where:
bonds (distance) C4'-P energy: -88.341
bonds (distance) P-C4' energy: -102.872
flat angles C4'-P-C4' energy: -114.225
flat angles P-C4'-P energy: -79.765
tors. eta vs tors. theta energy: -149.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1792.108711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.108711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.108711 (E_RNA)
where:
Base-Base interactions energy: -1278.974
where: short stacking energy: -524.702
Base-Backbone interact. energy: -1.659
local terms energy: -511.476006
where:
bonds (distance) C4'-P energy: -82.803
bonds (distance) P-C4' energy: -96.291
flat angles C4'-P-C4' energy: -104.030
flat angles P-C4'-P energy: -80.703
tors. eta vs tors. theta energy: -147.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1742.310538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.310538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.310538 (E_RNA)
where:
Base-Base interactions energy: -1219.942
where: short stacking energy: -523.621
Base-Backbone interact. energy: -2.748
local terms energy: -519.620662
where:
bonds (distance) C4'-P energy: -87.347
bonds (distance) P-C4' energy: -94.993
flat angles C4'-P-C4' energy: -108.146
flat angles P-C4'-P energy: -75.727
tors. eta vs tors. theta energy: -153.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1679.230115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.230115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.230115 (E_RNA)
where:
Base-Base interactions energy: -1162.981
where: short stacking energy: -485.821
Base-Backbone interact. energy: -1.496
local terms energy: -514.753572
where:
bonds (distance) C4'-P energy: -106.254
bonds (distance) P-C4' energy: -87.374
flat angles C4'-P-C4' energy: -103.865
flat angles P-C4'-P energy: -76.995
tors. eta vs tors. theta energy: -140.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1618.465182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.465182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.465182 (E_RNA)
where:
Base-Base interactions energy: -1129.498
where: short stacking energy: -454.694
Base-Backbone interact. energy: -3.521
local terms energy: -485.445456
where:
bonds (distance) C4'-P energy: -91.717
bonds (distance) P-C4' energy: -87.424
flat angles C4'-P-C4' energy: -103.631
flat angles P-C4'-P energy: -70.783
tors. eta vs tors. theta energy: -131.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1527.879149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.879149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.879149 (E_RNA)
where:
Base-Base interactions energy: -1061.111
where: short stacking energy: -436.391
Base-Backbone interact. energy: -0.709
local terms energy: -466.058990
where:
bonds (distance) C4'-P energy: -88.051
bonds (distance) P-C4' energy: -91.154
flat angles C4'-P-C4' energy: -105.479
flat angles P-C4'-P energy: -60.797
tors. eta vs tors. theta energy: -120.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1313.751089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.751089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.751089 (E_RNA)
where:
Base-Base interactions energy: -902.050
where: short stacking energy: -412.331
Base-Backbone interact. energy: 0.094
local terms energy: -411.794915
where:
bonds (distance) C4'-P energy: -65.019
bonds (distance) P-C4' energy: -78.330
flat angles C4'-P-C4' energy: -94.752
flat angles P-C4'-P energy: -62.232
tors. eta vs tors. theta energy: -111.462
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: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1234.102869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.102869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.102869 (E_RNA)
where:
Base-Base interactions energy: -832.565
where: short stacking energy: -357.481
Base-Backbone interact. energy: -0.404
local terms energy: -401.133695
where:
bonds (distance) C4'-P energy: -72.441
bonds (distance) P-C4' energy: -91.833
flat angles C4'-P-C4' energy: -86.999
flat angles P-C4'-P energy: -63.342
tors. eta vs tors. theta energy: -86.519
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: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1068.277691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.277691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.277691 (E_RNA)
where:
Base-Base interactions energy: -737.689
where: short stacking energy: -324.734
Base-Backbone interact. energy: -0.076
local terms energy: -330.512351
where:
bonds (distance) C4'-P energy: -81.623
bonds (distance) P-C4' energy: -64.422
flat angles C4'-P-C4' energy: -72.490
flat angles P-C4'-P energy: -45.396
tors. eta vs tors. theta energy: -66.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -654.670198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.670198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.670198 (E_RNA)
where:
Base-Base interactions energy: -385.272
where: short stacking energy: -209.456
Base-Backbone interact. energy: -0.266
local terms energy: -269.132307
where:
bonds (distance) C4'-P energy: -77.005
bonds (distance) P-C4' energy: -82.992
flat angles C4'-P-C4' energy: -64.987
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -22.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1816.380563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.380563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.380563 (E_RNA)
where:
Base-Base interactions energy: -1279.426
where: short stacking energy: -550.749
Base-Backbone interact. energy: -1.665
local terms energy: -535.289236
where:
bonds (distance) C4'-P energy: -102.695
bonds (distance) P-C4' energy: -95.740
flat angles C4'-P-C4' energy: -111.917
flat angles P-C4'-P energy: -66.275
tors. eta vs tors. theta energy: -158.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1779.878447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.878447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.878447 (E_RNA)
where:
Base-Base interactions energy: -1269.969
where: short stacking energy: -520.104
Base-Backbone interact. energy: -1.280
local terms energy: -508.629076
where:
bonds (distance) C4'-P energy: -98.231
bonds (distance) P-C4' energy: -82.556
flat angles C4'-P-C4' energy: -109.964
flat angles P-C4'-P energy: -72.136
tors. eta vs tors. theta energy: -145.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1725.842316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.842316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.842316 (E_RNA)
where:
Base-Base interactions energy: -1224.355
where: short stacking energy: -507.248
Base-Backbone interact. energy: -2.761
local terms energy: -498.726471
where:
bonds (distance) C4'-P energy: -72.986
bonds (distance) P-C4' energy: -97.209
flat angles C4'-P-C4' energy: -103.050
flat angles P-C4'-P energy: -73.694
tors. eta vs tors. theta energy: -151.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1673.456366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.456366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.456366 (E_RNA)
where:
Base-Base interactions energy: -1191.884
where: short stacking energy: -499.936
Base-Backbone interact. energy: 0.326
local terms energy: -481.899181
where:
bonds (distance) C4'-P energy: -94.214
bonds (distance) P-C4' energy: -78.996
flat angles C4'-P-C4' energy: -98.828
flat angles P-C4'-P energy: -68.890
tors. eta vs tors. theta energy: -140.971
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: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1603.659019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.659019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.659019 (E_RNA)
where:
Base-Base interactions energy: -1127.673
where: short stacking energy: -467.308
Base-Backbone interact. energy: -1.278
local terms energy: -474.707866
where:
bonds (distance) C4'-P energy: -77.228
bonds (distance) P-C4' energy: -93.391
flat angles C4'-P-C4' energy: -104.718
flat angles P-C4'-P energy: -59.386
tors. eta vs tors. theta energy: -139.985
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: 153
Temperature: 1.150000
Total energy: -1528.004874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.004874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.004874 (E_RNA)
where:
Base-Base interactions energy: -1079.017
where: short stacking energy: -452.257
Base-Backbone interact. energy: -1.817
local terms energy: -447.170309
where:
bonds (distance) C4'-P energy: -84.993
bonds (distance) P-C4' energy: -83.312
flat angles C4'-P-C4' energy: -91.930
flat angles P-C4'-P energy: -62.198
tors. eta vs tors. theta energy: -124.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1345.463803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.463803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.463803 (E_RNA)
where:
Base-Base interactions energy: -904.684
where: short stacking energy: -403.029
Base-Backbone interact. energy: -1.242
local terms energy: -439.538174
where:
bonds (distance) C4'-P energy: -78.598
bonds (distance) P-C4' energy: -85.319
flat angles C4'-P-C4' energy: -107.279
flat angles P-C4'-P energy: -55.581
tors. eta vs tors. theta energy: -112.761
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: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1256.530686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.530686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.530686 (E_RNA)
where:
Base-Base interactions energy: -845.699
where: short stacking energy: -357.764
Base-Backbone interact. energy: -3.361
local terms energy: -407.470097
where:
bonds (distance) C4'-P energy: -83.228
bonds (distance) P-C4' energy: -82.488
flat angles C4'-P-C4' energy: -95.063
flat angles P-C4'-P energy: -58.394
tors. eta vs tors. theta energy: -88.297
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: 9, replica: 4
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1091.705665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.705665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.705665 (E_RNA)
where:
Base-Base interactions energy: -705.272
where: short stacking energy: -304.586
Base-Backbone interact. energy: 2.645
local terms energy: -389.078363
where:
bonds (distance) C4'-P energy: -86.815
bonds (distance) P-C4' energy: -89.894
flat angles C4'-P-C4' energy: -87.242
flat angles P-C4'-P energy: -51.372
tors. eta vs tors. theta energy: -73.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -709.908237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.908237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.908237 (E_RNA)
where:
Base-Base interactions energy: -435.983
where: short stacking energy: -197.556
Base-Backbone interact. energy: 1.362
local terms energy: -275.287475
where:
bonds (distance) C4'-P energy: -74.206
bonds (distance) P-C4' energy: -72.435
flat angles C4'-P-C4' energy: -69.325
flat angles P-C4'-P energy: -33.557
tors. eta vs tors. theta energy: -25.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1824.778237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.778237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.778237 (E_RNA)
where:
Base-Base interactions energy: -1286.052
where: short stacking energy: -522.872
Base-Backbone interact. energy: 0.285
local terms energy: -539.011581
where:
bonds (distance) C4'-P energy: -99.486
bonds (distance) P-C4' energy: -97.060
flat angles C4'-P-C4' energy: -112.519
flat angles P-C4'-P energy: -81.154
tors. eta vs tors. theta energy: -148.792
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: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1762.780323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.780323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.780323 (E_RNA)
where:
Base-Base interactions energy: -1253.064
where: short stacking energy: -502.496
Base-Backbone interact. energy: 6.264
local terms energy: -515.980132
where:
bonds (distance) C4'-P energy: -105.475
bonds (distance) P-C4' energy: -92.655
flat angles C4'-P-C4' energy: -108.908
flat angles P-C4'-P energy: -68.182
tors. eta vs tors. theta energy: -140.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1752.725062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.725062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.725062 (E_RNA)
where:
Base-Base interactions energy: -1226.916
where: short stacking energy: -519.480
Base-Backbone interact. energy: -2.367
local terms energy: -523.442923
where:
bonds (distance) C4'-P energy: -92.946
bonds (distance) P-C4' energy: -92.099
flat angles C4'-P-C4' energy: -111.251
flat angles P-C4'-P energy: -76.315
tors. eta vs tors. theta energy: -150.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1623.198588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.198588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.198588 (E_RNA)
where:
Base-Base interactions energy: -1156.767
where: short stacking energy: -483.408
Base-Backbone interact. energy: -3.082
local terms energy: -463.349888
where:
bonds (distance) C4'-P energy: -78.668
bonds (distance) P-C4' energy: -76.323
flat angles C4'-P-C4' energy: -100.854
flat angles P-C4'-P energy: -63.869
tors. eta vs tors. theta energy: -143.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1661.334778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.334778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.334778 (E_RNA)
where:
Base-Base interactions energy: -1152.672
where: short stacking energy: -480.719
Base-Backbone interact. energy: -2.423
local terms energy: -506.239932
where:
bonds (distance) C4'-P energy: -88.371
bonds (distance) P-C4' energy: -100.138
flat angles C4'-P-C4' energy: -104.885
flat angles P-C4'-P energy: -76.216
tors. eta vs tors. theta energy: -136.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1569.792082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.792082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.792082 (E_RNA)
where:
Base-Base interactions energy: -1097.483
where: short stacking energy: -453.290
Base-Backbone interact. energy: -2.123
local terms energy: -470.185819
where:
bonds (distance) C4'-P energy: -83.231
bonds (distance) P-C4' energy: -95.906
flat angles C4'-P-C4' energy: -99.115
flat angles P-C4'-P energy: -72.223
tors. eta vs tors. theta energy: -119.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1343.217790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.217790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.217790 (E_RNA)
where:
Base-Base interactions energy: -924.253
where: short stacking energy: -410.666
Base-Backbone interact. energy: -1.459
local terms energy: -417.505264
where:
bonds (distance) C4'-P energy: -74.151
bonds (distance) P-C4' energy: -82.638
flat angles C4'-P-C4' energy: -93.603
flat angles P-C4'-P energy: -61.284
tors. eta vs tors. theta energy: -105.830
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: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1201.069348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.069348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.069348 (E_RNA)
where:
Base-Base interactions energy: -797.227
where: short stacking energy: -343.804
Base-Backbone interact. energy: -0.537
local terms energy: -403.304887
where:
bonds (distance) C4'-P energy: -82.738
bonds (distance) P-C4' energy: -95.444
flat angles C4'-P-C4' energy: -87.939
flat angles P-C4'-P energy: -55.526
tors. eta vs tors. theta energy: -81.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1131.928503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.928503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.928503 (E_RNA)
where:
Base-Base interactions energy: -773.964
where: short stacking energy: -348.898
Base-Backbone interact. energy: -2.005
local terms energy: -355.959351
where:
bonds (distance) C4'-P energy: -72.408
bonds (distance) P-C4' energy: -56.462
flat angles C4'-P-C4' energy: -87.261
flat angles P-C4'-P energy: -59.230
tors. eta vs tors. theta energy: -80.598
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: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -701.979496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.979496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.979496 (E_RNA)
where:
Base-Base interactions energy: -399.417
where: short stacking energy: -196.320
Base-Backbone interact. energy: -1.421
local terms energy: -301.141846
where:
bonds (distance) C4'-P energy: -65.264
bonds (distance) P-C4' energy: -72.816
flat angles C4'-P-C4' energy: -86.524
flat angles P-C4'-P energy: -44.671
tors. eta vs tors. theta energy: -31.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1834.109591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.109591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.109591 (E_RNA)
where:
Base-Base interactions energy: -1316.524
where: short stacking energy: -536.684
Base-Backbone interact. energy: -1.486
local terms energy: -516.100498
where:
bonds (distance) C4'-P energy: -96.498
bonds (distance) P-C4' energy: -91.812
flat angles C4'-P-C4' energy: -107.135
flat angles P-C4'-P energy: -66.254
tors. eta vs tors. theta energy: -154.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1757.241818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.241818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.241818 (E_RNA)
where:
Base-Base interactions energy: -1244.349
where: short stacking energy: -528.851
Base-Backbone interact. energy: -1.082
local terms energy: -511.810197
where:
bonds (distance) C4'-P energy: -102.011
bonds (distance) P-C4' energy: -91.910
flat angles C4'-P-C4' energy: -104.257
flat angles P-C4'-P energy: -77.153
tors. eta vs tors. theta energy: -136.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1774.258291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.258291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.258291 (E_RNA)
where:
Base-Base interactions energy: -1238.558
where: short stacking energy: -532.068
Base-Backbone interact. energy: 0.703
local terms energy: -536.403108
where:
bonds (distance) C4'-P energy: -95.135
bonds (distance) P-C4' energy: -102.099
flat angles C4'-P-C4' energy: -113.627
flat angles P-C4'-P energy: -74.628
tors. eta vs tors. theta energy: -150.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1676.034166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.034166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.034166 (E_RNA)
where:
Base-Base interactions energy: -1173.178
where: short stacking energy: -477.661
Base-Backbone interact. energy: -1.435
local terms energy: -501.421654
where:
bonds (distance) C4'-P energy: -86.125
bonds (distance) P-C4' energy: -85.465
flat angles C4'-P-C4' energy: -117.298
flat angles P-C4'-P energy: -64.331
tors. eta vs tors. theta energy: -148.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1607.487400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.487400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.487400 (E_RNA)
where:
Base-Base interactions energy: -1127.862
where: short stacking energy: -493.505
Base-Backbone interact. energy: 2.233
local terms energy: -481.858514
where:
bonds (distance) C4'-P energy: -85.147
bonds (distance) P-C4' energy: -78.023
flat angles C4'-P-C4' energy: -101.495
flat angles P-C4'-P energy: -75.821
tors. eta vs tors. theta energy: -141.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1538.802434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.802434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.802434 (E_RNA)
where:
Base-Base interactions energy: -1086.835
where: short stacking energy: -463.217
Base-Backbone interact. energy: -1.630
local terms energy: -450.337143
where:
bonds (distance) C4'-P energy: -54.144
bonds (distance) P-C4' energy: -96.991
flat angles C4'-P-C4' energy: -100.880
flat angles P-C4'-P energy: -68.628
tors. eta vs tors. theta energy: -129.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1331.704633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.704633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.704633 (E_RNA)
where:
Base-Base interactions energy: -902.230
where: short stacking energy: -388.778
Base-Backbone interact. energy: -1.534
local terms energy: -427.940404
where:
bonds (distance) C4'-P energy: -82.427
bonds (distance) P-C4' energy: -82.326
flat angles C4'-P-C4' energy: -90.675
flat angles P-C4'-P energy: -63.105
tors. eta vs tors. theta energy: -109.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1188.537097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.537097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.537097 (E_RNA)
where:
Base-Base interactions energy: -806.647
where: short stacking energy: -318.315
Base-Backbone interact. energy: -0.158
local terms energy: -381.732193
where:
bonds (distance) C4'-P energy: -68.667
bonds (distance) P-C4' energy: -80.985
flat angles C4'-P-C4' energy: -100.740
flat angles P-C4'-P energy: -46.912
tors. eta vs tors. theta energy: -84.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1177.577929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.577929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.577929 (E_RNA)
where:
Base-Base interactions energy: -815.880
where: short stacking energy: -325.953
Base-Backbone interact. energy: -2.047
local terms energy: -359.651179
where:
bonds (distance) C4'-P energy: -64.735
bonds (distance) P-C4' energy: -79.089
flat angles C4'-P-C4' energy: -84.495
flat angles P-C4'-P energy: -48.396
tors. eta vs tors. theta energy: -82.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -678.252560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.252560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.252560 (E_RNA)
where:
Base-Base interactions energy: -391.666
where: short stacking energy: -180.850
Base-Backbone interact. energy: -2.028
local terms energy: -284.558020
where:
bonds (distance) C4'-P energy: -69.673
bonds (distance) P-C4' energy: -81.133
flat angles C4'-P-C4' energy: -76.669
flat angles P-C4'-P energy: -51.987
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1829.105175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.105175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.105175 (E_RNA)
where:
Base-Base interactions energy: -1288.895
where: short stacking energy: -535.477
Base-Backbone interact. energy: -1.887
local terms energy: -538.323001
where:
bonds (distance) C4'-P energy: -95.899
bonds (distance) P-C4' energy: -95.992
flat angles C4'-P-C4' energy: -113.280
flat angles P-C4'-P energy: -80.285
tors. eta vs tors. theta energy: -152.867
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: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1788.517751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.517751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.517751 (E_RNA)
where:
Base-Base interactions energy: -1259.941
where: short stacking energy: -495.764
Base-Backbone interact. energy: -0.193
local terms energy: -528.384471
where:
bonds (distance) C4'-P energy: -98.536
bonds (distance) P-C4' energy: -89.176
flat angles C4'-P-C4' energy: -115.425
flat angles P-C4'-P energy: -81.373
tors. eta vs tors. theta energy: -143.875
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: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1766.058734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.058734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.058734 (E_RNA)
where:
Base-Base interactions energy: -1235.037
where: short stacking energy: -523.607
Base-Backbone interact. energy: -1.977
local terms energy: -529.044585
where:
bonds (distance) C4'-P energy: -92.678
bonds (distance) P-C4' energy: -93.693
flat angles C4'-P-C4' energy: -114.467
flat angles P-C4'-P energy: -73.533
tors. eta vs tors. theta energy: -154.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1676.197506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.197506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.197506 (E_RNA)
where:
Base-Base interactions energy: -1183.555
where: short stacking energy: -479.179
Base-Backbone interact. energy: -1.136
local terms energy: -491.506528
where:
bonds (distance) C4'-P energy: -93.057
bonds (distance) P-C4' energy: -83.677
flat angles C4'-P-C4' energy: -99.009
flat angles P-C4'-P energy: -74.450
tors. eta vs tors. theta energy: -141.314
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: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1578.652326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.652326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.652326 (E_RNA)
where:
Base-Base interactions energy: -1107.548
where: short stacking energy: -459.287
Base-Backbone interact. energy: 3.001
local terms energy: -474.105123
where:
bonds (distance) C4'-P energy: -94.517
bonds (distance) P-C4' energy: -95.228
flat angles C4'-P-C4' energy: -90.058
flat angles P-C4'-P energy: -59.056
tors. eta vs tors. theta energy: -135.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1524.683324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.683324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.683324 (E_RNA)
where:
Base-Base interactions energy: -1071.351
where: short stacking energy: -436.445
Base-Backbone interact. energy: -3.180
local terms energy: -450.152164
where:
bonds (distance) C4'-P energy: -87.964
bonds (distance) P-C4' energy: -89.334
flat angles C4'-P-C4' energy: -84.744
flat angles P-C4'-P energy: -50.431
tors. eta vs tors. theta energy: -137.679
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: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1343.442009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.442009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.442009 (E_RNA)
where:
Base-Base interactions energy: -938.186
where: short stacking energy: -404.742
Base-Backbone interact. energy: 3.086
local terms energy: -408.342030
where:
bonds (distance) C4'-P energy: -90.908
bonds (distance) P-C4' energy: -79.916
flat angles C4'-P-C4' energy: -84.693
flat angles P-C4'-P energy: -48.920
tors. eta vs tors. theta energy: -103.904
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: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1185.284553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.284553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.284553 (E_RNA)
where:
Base-Base interactions energy: -782.939
where: short stacking energy: -333.888
Base-Backbone interact. energy: 0.112
local terms energy: -402.457535
where:
bonds (distance) C4'-P energy: -74.655
bonds (distance) P-C4' energy: -92.236
flat angles C4'-P-C4' energy: -86.222
flat angles P-C4'-P energy: -50.478
tors. eta vs tors. theta energy: -98.866
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: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1141.684451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.684451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.684451 (E_RNA)
where:
Base-Base interactions energy: -788.657
where: short stacking energy: -326.174
Base-Backbone interact. energy: -1.622
local terms energy: -351.405516
where:
bonds (distance) C4'-P energy: -63.379
bonds (distance) P-C4' energy: -79.231
flat angles C4'-P-C4' energy: -85.311
flat angles P-C4'-P energy: -49.234
tors. eta vs tors. theta energy: -74.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -669.677591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.677591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.677591 (E_RNA)
where:
Base-Base interactions energy: -374.579
where: short stacking energy: -204.831
Base-Backbone interact. energy: -1.645
local terms energy: -293.453770
where:
bonds (distance) C4'-P energy: -68.637
bonds (distance) P-C4' energy: -94.052
flat angles C4'-P-C4' energy: -68.638
flat angles P-C4'-P energy: -49.805
tors. eta vs tors. theta energy: -12.321
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: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1844.637098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.637098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.637098 (E_RNA)
where:
Base-Base interactions energy: -1310.924
where: short stacking energy: -546.058
Base-Backbone interact. energy: -0.511
local terms energy: -533.202321
where:
bonds (distance) C4'-P energy: -106.593
bonds (distance) P-C4' energy: -102.710
flat angles C4'-P-C4' energy: -103.578
flat angles P-C4'-P energy: -76.236
tors. eta vs tors. theta energy: -144.085
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: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1798.711074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.711074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.711074 (E_RNA)
where:
Base-Base interactions energy: -1269.251
where: short stacking energy: -545.427
Base-Backbone interact. energy: -0.628
local terms energy: -528.832435
where:
bonds (distance) C4'-P energy: -96.504
bonds (distance) P-C4' energy: -96.384
flat angles C4'-P-C4' energy: -102.763
flat angles P-C4'-P energy: -80.928
tors. eta vs tors. theta energy: -152.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1739.619052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.619052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.619052 (E_RNA)
where:
Base-Base interactions energy: -1210.625
where: short stacking energy: -499.284
Base-Backbone interact. energy: -2.775
local terms energy: -526.219032
where:
bonds (distance) C4'-P energy: -92.598
bonds (distance) P-C4' energy: -96.280
flat angles C4'-P-C4' energy: -108.448
flat angles P-C4'-P energy: -72.590
tors. eta vs tors. theta energy: -156.303
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: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1676.268574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.268574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.268574 (E_RNA)
where:
Base-Base interactions energy: -1182.707
where: short stacking energy: -482.810
Base-Backbone interact. energy: -1.115
local terms energy: -492.447163
where:
bonds (distance) C4'-P energy: -91.705
bonds (distance) P-C4' energy: -83.728
flat angles C4'-P-C4' energy: -118.364
flat angles P-C4'-P energy: -65.113
tors. eta vs tors. theta energy: -133.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1592.179876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.179876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.179876 (E_RNA)
where:
Base-Base interactions energy: -1133.397
where: short stacking energy: -456.020
Base-Backbone interact. energy: -2.611
local terms energy: -456.171717
where:
bonds (distance) C4'-P energy: -78.219
bonds (distance) P-C4' energy: -85.079
flat angles C4'-P-C4' energy: -104.440
flat angles P-C4'-P energy: -57.301
tors. eta vs tors. theta energy: -131.132
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: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1594.665488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.665488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.665488 (E_RNA)
where:
Base-Base interactions energy: -1140.373
where: short stacking energy: -476.280
Base-Backbone interact. energy: -2.442
local terms energy: -451.850874
where:
bonds (distance) C4'-P energy: -88.470
bonds (distance) P-C4' energy: -89.132
flat angles C4'-P-C4' energy: -85.663
flat angles P-C4'-P energy: -60.938
tors. eta vs tors. theta energy: -127.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1364.918783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.918783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.918783 (E_RNA)
where:
Base-Base interactions energy: -946.596
where: short stacking energy: -394.993
Base-Backbone interact. energy: 1.050
local terms energy: -419.372369
where:
bonds (distance) C4'-P energy: -73.667
bonds (distance) P-C4' energy: -89.151
flat angles C4'-P-C4' energy: -95.590
flat angles P-C4'-P energy: -59.187
tors. eta vs tors. theta energy: -101.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1182.679166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.679166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.679166 (E_RNA)
where:
Base-Base interactions energy: -799.447
where: short stacking energy: -338.450
Base-Backbone interact. energy: 4.568
local terms energy: -387.799682
where:
bonds (distance) C4'-P energy: -71.864
bonds (distance) P-C4' energy: -82.232
flat angles C4'-P-C4' energy: -86.458
flat angles P-C4'-P energy: -58.168
tors. eta vs tors. theta energy: -89.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1077.082643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.082643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.082643 (E_RNA)
where:
Base-Base interactions energy: -739.873
where: short stacking energy: -327.451
Base-Backbone interact. energy: 4.495
local terms energy: -341.704017
where:
bonds (distance) C4'-P energy: -73.401
bonds (distance) P-C4' energy: -70.215
flat angles C4'-P-C4' energy: -83.541
flat angles P-C4'-P energy: -37.264
tors. eta vs tors. theta energy: -77.283
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: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -645.093593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.093593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.093593 (E_RNA)
where:
Base-Base interactions energy: -378.027
where: short stacking energy: -190.834
Base-Backbone interact. energy: -0.593
local terms energy: -266.473650
where:
bonds (distance) C4'-P energy: -67.268
bonds (distance) P-C4' energy: -83.860
flat angles C4'-P-C4' energy: -65.845
flat angles P-C4'-P energy: -30.483
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1831.672791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.672791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.672791 (E_RNA)
where:
Base-Base interactions energy: -1295.753
where: short stacking energy: -550.438
Base-Backbone interact. energy: -1.015
local terms energy: -534.904911
where:
bonds (distance) C4'-P energy: -100.900
bonds (distance) P-C4' energy: -94.047
flat angles C4'-P-C4' energy: -105.406
flat angles P-C4'-P energy: -76.709
tors. eta vs tors. theta energy: -157.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1799.021240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.021240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.021240 (E_RNA)
where:
Base-Base interactions energy: -1256.177
where: short stacking energy: -513.044
Base-Backbone interact. energy: -2.185
local terms energy: -540.659216
where:
bonds (distance) C4'-P energy: -100.575
bonds (distance) P-C4' energy: -100.888
flat angles C4'-P-C4' energy: -110.322
flat angles P-C4'-P energy: -85.124
tors. eta vs tors. theta energy: -143.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1750.574924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.574924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.574924 (E_RNA)
where:
Base-Base interactions energy: -1230.717
where: short stacking energy: -503.405
Base-Backbone interact. energy: -2.148
local terms energy: -517.710380
where:
bonds (distance) C4'-P energy: -84.764
bonds (distance) P-C4' energy: -98.501
flat angles C4'-P-C4' energy: -110.886
flat angles P-C4'-P energy: -75.981
tors. eta vs tors. theta energy: -147.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1700.512345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.512345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.512345 (E_RNA)
where:
Base-Base interactions energy: -1204.627
where: short stacking energy: -514.737
Base-Backbone interact. energy: -0.186
local terms energy: -495.699210
where:
bonds (distance) C4'-P energy: -81.669
bonds (distance) P-C4' energy: -91.767
flat angles C4'-P-C4' energy: -103.437
flat angles P-C4'-P energy: -77.842
tors. eta vs tors. theta energy: -140.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1586.980942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.980942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.980942 (E_RNA)
where:
Base-Base interactions energy: -1106.916
where: short stacking energy: -473.540
Base-Backbone interact. energy: 3.058
local terms energy: -483.123502
where:
bonds (distance) C4'-P energy: -75.913
bonds (distance) P-C4' energy: -97.278
flat angles C4'-P-C4' energy: -108.785
flat angles P-C4'-P energy: -60.061
tors. eta vs tors. theta energy: -141.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1564.272148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.272148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.272148 (E_RNA)
where:
Base-Base interactions energy: -1105.098
where: short stacking energy: -452.610
Base-Backbone interact. energy: -0.130
local terms energy: -459.044559
where:
bonds (distance) C4'-P energy: -89.327
bonds (distance) P-C4' energy: -79.813
flat angles C4'-P-C4' energy: -98.748
flat angles P-C4'-P energy: -61.114
tors. eta vs tors. theta energy: -130.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1357.302143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.302143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.302143 (E_RNA)
where:
Base-Base interactions energy: -936.188
where: short stacking energy: -401.340
Base-Backbone interact. energy: 1.432
local terms energy: -422.545914
where:
bonds (distance) C4'-P energy: -83.224
bonds (distance) P-C4' energy: -82.112
flat angles C4'-P-C4' energy: -93.570
flat angles P-C4'-P energy: -62.241
tors. eta vs tors. theta energy: -101.399
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: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1181.927545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.927545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.927545 (E_RNA)
where:
Base-Base interactions energy: -783.106
where: short stacking energy: -334.157
Base-Backbone interact. energy: -0.307
local terms energy: -398.515064
where:
bonds (distance) C4'-P energy: -99.519
bonds (distance) P-C4' energy: -79.573
flat angles C4'-P-C4' energy: -80.627
flat angles P-C4'-P energy: -65.629
tors. eta vs tors. theta energy: -73.168
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: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1090.338069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.338069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.338069 (E_RNA)
where:
Base-Base interactions energy: -716.634
where: short stacking energy: -306.024
Base-Backbone interact. energy: 1.286
local terms energy: -374.990939
where:
bonds (distance) C4'-P energy: -84.037
bonds (distance) P-C4' energy: -83.110
flat angles C4'-P-C4' energy: -92.104
flat angles P-C4'-P energy: -49.043
tors. eta vs tors. theta energy: -66.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -654.881746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.881746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.881746 (E_RNA)
where:
Base-Base interactions energy: -390.199
where: short stacking energy: -174.996
Base-Backbone interact. energy: -3.039
local terms energy: -261.643557
where:
bonds (distance) C4'-P energy: -77.992
bonds (distance) P-C4' energy: -66.934
flat angles C4'-P-C4' energy: -70.843
flat angles P-C4'-P energy: -39.601
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1829.517795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.517795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.517795 (E_RNA)
where:
Base-Base interactions energy: -1298.550
where: short stacking energy: -560.419
Base-Backbone interact. energy: -0.639
local terms energy: -530.328012
where:
bonds (distance) C4'-P energy: -82.721
bonds (distance) P-C4' energy: -92.419
flat angles C4'-P-C4' energy: -112.180
flat angles P-C4'-P energy: -79.585
tors. eta vs tors. theta energy: -163.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1788.938551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.938551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.938551 (E_RNA)
where:
Base-Base interactions energy: -1272.953
where: short stacking energy: -519.911
Base-Backbone interact. energy: -1.685
local terms energy: -514.300294
where:
bonds (distance) C4'-P energy: -80.449
bonds (distance) P-C4' energy: -97.012
flat angles C4'-P-C4' energy: -108.137
flat angles P-C4'-P energy: -79.030
tors. eta vs tors. theta energy: -149.672
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: 159
Temperature: 1.000000
Total energy: -1723.280711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.280711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.280711 (E_RNA)
where:
Base-Base interactions energy: -1207.379
where: short stacking energy: -518.631
Base-Backbone interact. energy: -2.336
local terms energy: -513.566040
where:
bonds (distance) C4'-P energy: -91.388
bonds (distance) P-C4' energy: -96.797
flat angles C4'-P-C4' energy: -99.933
flat angles P-C4'-P energy: -76.787
tors. eta vs tors. theta energy: -148.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1684.566504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.566504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.566504 (E_RNA)
where:
Base-Base interactions energy: -1185.948
where: short stacking energy: -485.396
Base-Backbone interact. energy: 2.144
local terms energy: -500.761974
where:
bonds (distance) C4'-P energy: -86.284
bonds (distance) P-C4' energy: -87.148
flat angles C4'-P-C4' energy: -109.571
flat angles P-C4'-P energy: -82.452
tors. eta vs tors. theta energy: -135.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1593.099987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.099987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.099987 (E_RNA)
where:
Base-Base interactions energy: -1105.948
where: short stacking energy: -468.524
Base-Backbone interact. energy: 1.749
local terms energy: -488.900352
where:
bonds (distance) C4'-P energy: -80.853
bonds (distance) P-C4' energy: -99.127
flat angles C4'-P-C4' energy: -107.722
flat angles P-C4'-P energy: -63.894
tors. eta vs tors. theta energy: -137.305
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: 6, replica: 1
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1555.145146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.145146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.145146 (E_RNA)
where:
Base-Base interactions energy: -1085.361
where: short stacking energy: -446.406
Base-Backbone interact. energy: -1.311
local terms energy: -468.473127
where:
bonds (distance) C4'-P energy: -91.556
bonds (distance) P-C4' energy: -84.070
flat angles C4'-P-C4' energy: -98.416
flat angles P-C4'-P energy: -72.161
tors. eta vs tors. theta energy: -122.270
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: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1387.516141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.516141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.516141 (E_RNA)
where:
Base-Base interactions energy: -960.666
where: short stacking energy: -430.103
Base-Backbone interact. energy: -0.057
local terms energy: -426.793743
where:
bonds (distance) C4'-P energy: -63.069
bonds (distance) P-C4' energy: -84.185
flat angles C4'-P-C4' energy: -94.758
flat angles P-C4'-P energy: -66.354
tors. eta vs tors. theta energy: -118.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1156.924537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.924537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.924537 (E_RNA)
where:
Base-Base interactions energy: -776.509
where: short stacking energy: -327.406
Base-Backbone interact. energy: 1.109
local terms energy: -381.524575
where:
bonds (distance) C4'-P energy: -85.610
bonds (distance) P-C4' energy: -78.462
flat angles C4'-P-C4' energy: -92.011
flat angles P-C4'-P energy: -49.587
tors. eta vs tors. theta energy: -75.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1112.377205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.377205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.377205 (E_RNA)
where:
Base-Base interactions energy: -730.898
where: short stacking energy: -314.411
Base-Backbone interact. energy: -0.422
local terms energy: -381.057078
where:
bonds (distance) C4'-P energy: -84.423
bonds (distance) P-C4' energy: -88.963
flat angles C4'-P-C4' energy: -78.745
flat angles P-C4'-P energy: -59.881
tors. eta vs tors. theta energy: -69.045
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: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -624.458580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.458580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.458580 (E_RNA)
where:
Base-Base interactions energy: -321.607
where: short stacking energy: -168.307
Base-Backbone interact. energy: 0.248
local terms energy: -303.099382
where:
bonds (distance) C4'-P energy: -78.488
bonds (distance) P-C4' energy: -90.953
flat angles C4'-P-C4' energy: -61.804
flat angles P-C4'-P energy: -52.642
tors. eta vs tors. theta energy: -19.213
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: 160
Temperature: 0.900000
Total energy: -1845.847473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.847473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.847473 (E_RNA)
where:
Base-Base interactions energy: -1313.578
where: short stacking energy: -547.386
Base-Backbone interact. energy: 0.686
local terms energy: -532.956241
where:
bonds (distance) C4'-P energy: -90.619
bonds (distance) P-C4' energy: -92.611
flat angles C4'-P-C4' energy: -109.118
flat angles P-C4'-P energy: -79.609
tors. eta vs tors. theta energy: -160.999
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: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1820.367616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.367616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.367616 (E_RNA)
where:
Base-Base interactions energy: -1287.624
where: short stacking energy: -542.193
Base-Backbone interact. energy: -0.487
local terms energy: -532.256598
where:
bonds (distance) C4'-P energy: -88.227
bonds (distance) P-C4' energy: -89.163
flat angles C4'-P-C4' energy: -111.077
flat angles P-C4'-P energy: -83.709
tors. eta vs tors. theta energy: -160.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1721.363460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.363460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.363460 (E_RNA)
where:
Base-Base interactions energy: -1208.259
where: short stacking energy: -503.233
Base-Backbone interact. energy: 0.749
local terms energy: -513.853089
where:
bonds (distance) C4'-P energy: -94.218
bonds (distance) P-C4' energy: -95.804
flat angles C4'-P-C4' energy: -107.467
flat angles P-C4'-P energy: -75.264
tors. eta vs tors. theta energy: -141.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1687.039513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.039513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.039513 (E_RNA)
where:
Base-Base interactions energy: -1202.590
where: short stacking energy: -496.460
Base-Backbone interact. energy: -1.218
local terms energy: -483.231646
where:
bonds (distance) C4'-P energy: -88.587
bonds (distance) P-C4' energy: -83.109
flat angles C4'-P-C4' energy: -107.625
flat angles P-C4'-P energy: -70.880
tors. eta vs tors. theta energy: -133.032
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: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1658.507112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.507112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.507112 (E_RNA)
where:
Base-Base interactions energy: -1150.178
where: short stacking energy: -499.896
Base-Backbone interact. energy: -2.141
local terms energy: -506.188555
where:
bonds (distance) C4'-P energy: -91.883
bonds (distance) P-C4' energy: -94.479
flat angles C4'-P-C4' energy: -108.294
flat angles P-C4'-P energy: -69.490
tors. eta vs tors. theta energy: -142.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1548.745072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.745072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.745072 (E_RNA)
where:
Base-Base interactions energy: -1115.587
where: short stacking energy: -468.070
Base-Backbone interact. energy: -2.794
local terms energy: -430.364362
where:
bonds (distance) C4'-P energy: -81.069
bonds (distance) P-C4' energy: -74.598
flat angles C4'-P-C4' energy: -79.275
flat angles P-C4'-P energy: -63.317
tors. eta vs tors. theta energy: -132.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1366.339196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.339196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.339196 (E_RNA)
where:
Base-Base interactions energy: -952.075
where: short stacking energy: -400.018
Base-Backbone interact. energy: -0.820
local terms energy: -413.443919
where:
bonds (distance) C4'-P energy: -66.953
bonds (distance) P-C4' energy: -76.963
flat angles C4'-P-C4' energy: -86.849
flat angles P-C4'-P energy: -74.665
tors. eta vs tors. theta energy: -108.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1182.906679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.906679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.906679 (E_RNA)
where:
Base-Base interactions energy: -814.453
where: short stacking energy: -349.303
Base-Backbone interact. energy: -1.766
local terms energy: -366.687815
where:
bonds (distance) C4'-P energy: -64.710
bonds (distance) P-C4' energy: -80.213
flat angles C4'-P-C4' energy: -79.995
flat angles P-C4'-P energy: -53.587
tors. eta vs tors. theta energy: -88.183
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: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1066.498119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.498119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.498119 (E_RNA)
where:
Base-Base interactions energy: -720.823
where: short stacking energy: -303.272
Base-Backbone interact. energy: -1.675
local terms energy: -343.999825
where:
bonds (distance) C4'-P energy: -76.276
bonds (distance) P-C4' energy: -70.482
flat angles C4'-P-C4' energy: -87.640
flat angles P-C4'-P energy: -51.693
tors. eta vs tors. theta energy: -57.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -609.636147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.636147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.636147 (E_RNA)
where:
Base-Base interactions energy: -352.450
where: short stacking energy: -184.790
Base-Backbone interact. energy: 0.263
local terms energy: -257.448435
where:
bonds (distance) C4'-P energy: -63.496
bonds (distance) P-C4' energy: -85.376
flat angles C4'-P-C4' energy: -60.540
flat angles P-C4'-P energy: -38.187
tors. eta vs tors. theta energy: -9.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1848.756167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.756167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.756167 (E_RNA)
where:
Base-Base interactions energy: -1289.282
where: short stacking energy: -538.583
Base-Backbone interact. energy: -1.098
local terms energy: -558.376357
where:
bonds (distance) C4'-P energy: -107.336
bonds (distance) P-C4' energy: -103.437
flat angles C4'-P-C4' energy: -113.495
flat angles P-C4'-P energy: -76.635
tors. eta vs tors. theta energy: -157.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1799.568394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.568394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.568394 (E_RNA)
where:
Base-Base interactions energy: -1267.426
where: short stacking energy: -544.976
Base-Backbone interact. energy: -0.746
local terms energy: -531.395810
where:
bonds (distance) C4'-P energy: -92.788
bonds (distance) P-C4' energy: -98.597
flat angles C4'-P-C4' energy: -107.247
flat angles P-C4'-P energy: -71.097
tors. eta vs tors. theta energy: -161.666
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: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1715.523428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.523428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.523428 (E_RNA)
where:
Base-Base interactions energy: -1216.789
where: short stacking energy: -504.444
Base-Backbone interact. energy: -0.886
local terms energy: -497.848843
where:
bonds (distance) C4'-P energy: -78.849
bonds (distance) P-C4' energy: -99.797
flat angles C4'-P-C4' energy: -104.611
flat angles P-C4'-P energy: -69.149
tors. eta vs tors. theta energy: -145.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1668.837659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.837659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.837659 (E_RNA)
where:
Base-Base interactions energy: -1196.518
where: short stacking energy: -499.961
Base-Backbone interact. energy: -0.120
local terms energy: -472.198871
where:
bonds (distance) C4'-P energy: -90.077
bonds (distance) P-C4' energy: -88.954
flat angles C4'-P-C4' energy: -96.339
flat angles P-C4'-P energy: -64.840
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: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1622.670901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.670901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.670901 (E_RNA)
where:
Base-Base interactions energy: -1140.577
where: short stacking energy: -473.631
Base-Backbone interact. energy: 0.183
local terms energy: -482.277159
where:
bonds (distance) C4'-P energy: -67.972
bonds (distance) P-C4' energy: -94.253
flat angles C4'-P-C4' energy: -110.177
flat angles P-C4'-P energy: -76.264
tors. eta vs tors. theta energy: -133.611
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: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1569.414506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.414506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.414506 (E_RNA)
where:
Base-Base interactions energy: -1108.719
where: short stacking energy: -456.018
Base-Backbone interact. energy: -4.344
local terms energy: -456.351083
where:
bonds (distance) C4'-P energy: -78.393
bonds (distance) P-C4' energy: -85.077
flat angles C4'-P-C4' energy: -97.636
flat angles P-C4'-P energy: -58.674
tors. eta vs tors. theta energy: -136.571
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: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1341.862853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.862853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.862853 (E_RNA)
where:
Base-Base interactions energy: -919.770
where: short stacking energy: -416.331
Base-Backbone interact. energy: 2.103
local terms energy: -424.195746
where:
bonds (distance) C4'-P energy: -81.696
bonds (distance) P-C4' energy: -84.364
flat angles C4'-P-C4' energy: -90.635
flat angles P-C4'-P energy: -52.116
tors. eta vs tors. theta energy: -115.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1198.476344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.476344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.476344 (E_RNA)
where:
Base-Base interactions energy: -817.453
where: short stacking energy: -348.429
Base-Backbone interact. energy: 2.036
local terms energy: -383.059481
where:
bonds (distance) C4'-P energy: -76.602
bonds (distance) P-C4' energy: -98.838
flat angles C4'-P-C4' energy: -76.150
flat angles P-C4'-P energy: -52.803
tors. eta vs tors. theta energy: -78.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1073.750240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.750240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.750240 (E_RNA)
where:
Base-Base interactions energy: -714.812
where: short stacking energy: -318.599
Base-Backbone interact. energy: -2.433
local terms energy: -356.504618
where:
bonds (distance) C4'-P energy: -78.293
bonds (distance) P-C4' energy: -76.175
flat angles C4'-P-C4' energy: -83.098
flat angles P-C4'-P energy: -42.110
tors. eta vs tors. theta energy: -76.829
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: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -687.173802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.173802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.173802 (E_RNA)
where:
Base-Base interactions energy: -414.574
where: short stacking energy: -192.994
Base-Backbone interact. energy: 4.583
local terms energy: -277.183141
where:
bonds (distance) C4'-P energy: -65.744
bonds (distance) P-C4' energy: -71.866
flat angles C4'-P-C4' energy: -84.738
flat angles P-C4'-P energy: -40.952
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1839.172563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.172563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.172563 (E_RNA)
where:
Base-Base interactions energy: -1290.989
where: short stacking energy: -551.957
Base-Backbone interact. energy: -2.277
local terms energy: -545.906609
where:
bonds (distance) C4'-P energy: -91.493
bonds (distance) P-C4' energy: -94.574
flat angles C4'-P-C4' energy: -114.624
flat angles P-C4'-P energy: -78.469
tors. eta vs tors. theta energy: -166.746
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: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1787.636871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.636871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.636871 (E_RNA)
where:
Base-Base interactions energy: -1273.266
where: short stacking energy: -525.961
Base-Backbone interact. energy: -1.754
local terms energy: -512.616831
where:
bonds (distance) C4'-P energy: -91.617
bonds (distance) P-C4' energy: -86.026
flat angles C4'-P-C4' energy: -111.687
flat angles P-C4'-P energy: -67.121
tors. eta vs tors. theta energy: -156.165
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: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1749.008854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.008854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.008854 (E_RNA)
where:
Base-Base interactions energy: -1223.799
where: short stacking energy: -502.180
Base-Backbone interact. energy: -1.213
local terms energy: -523.996508
where:
bonds (distance) C4'-P energy: -85.706
bonds (distance) P-C4' energy: -96.308
flat angles C4'-P-C4' energy: -116.109
flat angles P-C4'-P energy: -85.614
tors. eta vs tors. theta energy: -140.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1712.147194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.147194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.147194 (E_RNA)
where:
Base-Base interactions energy: -1228.365
where: short stacking energy: -527.281
Base-Backbone interact. energy: 0.646
local terms energy: -484.427956
where:
bonds (distance) C4'-P energy: -76.963
bonds (distance) P-C4' energy: -88.093
flat angles C4'-P-C4' energy: -106.767
flat angles P-C4'-P energy: -68.126
tors. eta vs tors. theta energy: -144.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1594.117083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.117083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.117083 (E_RNA)
where:
Base-Base interactions energy: -1097.951
where: short stacking energy: -457.004
Base-Backbone interact. energy: -3.659
local terms energy: -492.506830
where:
bonds (distance) C4'-P energy: -87.023
bonds (distance) P-C4' energy: -85.920
flat angles C4'-P-C4' energy: -108.343
flat angles P-C4'-P energy: -66.721
tors. eta vs tors. theta energy: -144.500
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: 1
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1543.012147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.012147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.012147 (E_RNA)
where:
Base-Base interactions energy: -1065.491
where: short stacking energy: -436.781
Base-Backbone interact. energy: -0.278
local terms energy: -477.242665
where:
bonds (distance) C4'-P energy: -84.283
bonds (distance) P-C4' energy: -97.079
flat angles C4'-P-C4' energy: -106.206
flat angles P-C4'-P energy: -61.889
tors. eta vs tors. theta energy: -127.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1225.227511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.227511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.227511 (E_RNA)
where:
Base-Base interactions energy: -789.354
where: short stacking energy: -361.085
Base-Backbone interact. energy: -2.438
local terms energy: -433.435967
where:
bonds (distance) C4'-P energy: -88.405
bonds (distance) P-C4' energy: -100.869
flat angles C4'-P-C4' energy: -104.394
flat angles P-C4'-P energy: -50.942
tors. eta vs tors. theta energy: -88.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1271.336167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.336167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.336167 (E_RNA)
where:
Base-Base interactions energy: -868.594
where: short stacking energy: -379.220
Base-Backbone interact. energy: 1.355
local terms energy: -404.096613
where:
bonds (distance) C4'-P energy: -78.797
bonds (distance) P-C4' energy: -83.547
flat angles C4'-P-C4' energy: -82.703
flat angles P-C4'-P energy: -59.576
tors. eta vs tors. theta energy: -99.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1052.558146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.558146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.558146 (E_RNA)
where:
Base-Base interactions energy: -684.595
where: short stacking energy: -284.073
Base-Backbone interact. energy: -0.242
local terms energy: -367.720708
where:
bonds (distance) C4'-P energy: -79.646
bonds (distance) P-C4' energy: -80.909
flat angles C4'-P-C4' energy: -89.903
flat angles P-C4'-P energy: -45.797
tors. eta vs tors. theta energy: -71.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -684.588050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.588050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.588050 (E_RNA)
where:
Base-Base interactions energy: -413.044
where: short stacking energy: -207.324
Base-Backbone interact. energy: 0.562
local terms energy: -272.106061
where:
bonds (distance) C4'-P energy: -65.879
bonds (distance) P-C4' energy: -83.416
flat angles C4'-P-C4' energy: -64.349
flat angles P-C4'-P energy: -35.037
tors. eta vs tors. theta energy: -23.425
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: 163
Temperature: 0.900000
Total energy: -1840.061870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.061870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.061870 (E_RNA)
where:
Base-Base interactions energy: -1295.739
where: short stacking energy: -551.713
Base-Backbone interact. energy: -2.889
local terms energy: -541.434012
where:
bonds (distance) C4'-P energy: -95.953
bonds (distance) P-C4' energy: -93.713
flat angles C4'-P-C4' energy: -112.498
flat angles P-C4'-P energy: -84.638
tors. eta vs tors. theta energy: -154.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1798.121794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.121794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.121794 (E_RNA)
where:
Base-Base interactions energy: -1254.515
where: short stacking energy: -530.456
Base-Backbone interact. energy: 1.812
local terms energy: -545.418642
where:
bonds (distance) C4'-P energy: -101.357
bonds (distance) P-C4' energy: -89.921
flat angles C4'-P-C4' energy: -112.657
flat angles P-C4'-P energy: -84.376
tors. eta vs tors. theta energy: -157.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1749.429958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.429958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.429958 (E_RNA)
where:
Base-Base interactions energy: -1246.483
where: short stacking energy: -509.717
Base-Backbone interact. energy: -1.469
local terms energy: -501.478098
where:
bonds (distance) C4'-P energy: -94.441
bonds (distance) P-C4' energy: -81.503
flat angles C4'-P-C4' energy: -106.207
flat angles P-C4'-P energy: -74.168
tors. eta vs tors. theta energy: -145.159
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: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1696.743362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.743362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.743362 (E_RNA)
where:
Base-Base interactions energy: -1197.721
where: short stacking energy: -507.411
Base-Backbone interact. energy: -1.829
local terms energy: -497.192838
where:
bonds (distance) C4'-P energy: -91.886
bonds (distance) P-C4' energy: -88.890
flat angles C4'-P-C4' energy: -108.113
flat angles P-C4'-P energy: -62.446
tors. eta vs tors. theta energy: -145.857
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: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1613.086940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.086940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.086940 (E_RNA)
where:
Base-Base interactions energy: -1127.995
where: short stacking energy: -480.265
Base-Backbone interact. energy: -1.676
local terms energy: -483.416286
where:
bonds (distance) C4'-P energy: -74.627
bonds (distance) P-C4' energy: -96.188
flat angles C4'-P-C4' energy: -105.291
flat angles P-C4'-P energy: -63.387
tors. eta vs tors. theta energy: -143.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1517.127869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.127869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.127869 (E_RNA)
where:
Base-Base interactions energy: -1047.995
where: short stacking energy: -424.858
Base-Backbone interact. energy: 0.208
local terms energy: -469.340513
where:
bonds (distance) C4'-P energy: -79.259
bonds (distance) P-C4' energy: -85.358
flat angles C4'-P-C4' energy: -104.442
flat angles P-C4'-P energy: -71.009
tors. eta vs tors. theta energy: -129.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1270.508086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.508086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.508086 (E_RNA)
where:
Base-Base interactions energy: -816.835
where: short stacking energy: -357.185
Base-Backbone interact. energy: -2.582
local terms energy: -451.091188
where:
bonds (distance) C4'-P energy: -98.660
bonds (distance) P-C4' energy: -92.310
flat angles C4'-P-C4' energy: -98.565
flat angles P-C4'-P energy: -67.208
tors. eta vs tors. theta energy: -94.349
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: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1189.053651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.053651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.053651 (E_RNA)
where:
Base-Base interactions energy: -809.765
where: short stacking energy: -347.071
Base-Backbone interact. energy: 2.283
local terms energy: -381.571711
where:
bonds (distance) C4'-P energy: -75.269
bonds (distance) P-C4' energy: -79.983
flat angles C4'-P-C4' energy: -104.764
flat angles P-C4'-P energy: -44.891
tors. eta vs tors. theta energy: -76.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -1065.130628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.130628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.130628 (E_RNA)
where:
Base-Base interactions energy: -739.563
where: short stacking energy: -310.006
Base-Backbone interact. energy: -0.228
local terms energy: -325.339675
where:
bonds (distance) C4'-P energy: -70.589
bonds (distance) P-C4' energy: -72.714
flat angles C4'-P-C4' energy: -82.098
flat angles P-C4'-P energy: -41.436
tors. eta vs tors. theta energy: -58.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -694.939344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.939344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.939344 (E_RNA)
where:
Base-Base interactions energy: -377.445
where: short stacking energy: -195.869
Base-Backbone interact. energy: 0.279
local terms energy: -317.773234
where:
bonds (distance) C4'-P energy: -86.041
bonds (distance) P-C4' energy: -92.053
flat angles C4'-P-C4' energy: -64.589
flat angles P-C4'-P energy: -57.273
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1835.327466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.327466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.327466 (E_RNA)
where:
Base-Base interactions energy: -1301.164
where: short stacking energy: -539.217
Base-Backbone interact. energy: -1.749
local terms energy: -532.414775
where:
bonds (distance) C4'-P energy: -87.901
bonds (distance) P-C4' energy: -97.540
flat angles C4'-P-C4' energy: -119.830
flat angles P-C4'-P energy: -74.669
tors. eta vs tors. theta energy: -152.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1822.753619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.753619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.753619 (E_RNA)
where:
Base-Base interactions energy: -1285.260
where: short stacking energy: -522.035
Base-Backbone interact. energy: -0.910
local terms energy: -536.583166
where:
bonds (distance) C4'-P energy: -97.073
bonds (distance) P-C4' energy: -90.153
flat angles C4'-P-C4' energy: -113.391
flat angles P-C4'-P energy: -80.627
tors. eta vs tors. theta energy: -155.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1729.161610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.161610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.161610 (E_RNA)
where:
Base-Base interactions energy: -1216.304
where: short stacking energy: -510.251
Base-Backbone interact. energy: -2.779
local terms energy: -510.079521
where:
bonds (distance) C4'-P energy: -90.488
bonds (distance) P-C4' energy: -103.972
flat angles C4'-P-C4' energy: -101.535
flat angles P-C4'-P energy: -78.268
tors. eta vs tors. theta energy: -135.816
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: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1695.601286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.601286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.601286 (E_RNA)
where:
Base-Base interactions energy: -1202.383
where: short stacking energy: -515.591
Base-Backbone interact. energy: -2.096
local terms energy: -491.122044
where:
bonds (distance) C4'-P energy: -81.942
bonds (distance) P-C4' energy: -96.878
flat angles C4'-P-C4' energy: -103.676
flat angles P-C4'-P energy: -73.371
tors. eta vs tors. theta energy: -135.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1641.119642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.119642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.119642 (E_RNA)
where:
Base-Base interactions energy: -1149.262
where: short stacking energy: -481.656
Base-Backbone interact. energy: -0.915
local terms energy: -490.943273
where:
bonds (distance) C4'-P energy: -86.603
bonds (distance) P-C4' energy: -86.404
flat angles C4'-P-C4' energy: -101.407
flat angles P-C4'-P energy: -74.363
tors. eta vs tors. theta energy: -142.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1572.464078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.464078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.464078 (E_RNA)
where:
Base-Base interactions energy: -1087.219
where: short stacking energy: -452.571
Base-Backbone interact. energy: -1.418
local terms energy: -483.827443
where:
bonds (distance) C4'-P energy: -88.548
bonds (distance) P-C4' energy: -80.259
flat angles C4'-P-C4' energy: -99.464
flat angles P-C4'-P energy: -76.795
tors. eta vs tors. theta energy: -138.761
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: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1216.504913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.504913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.504913 (E_RNA)
where:
Base-Base interactions energy: -847.557
where: short stacking energy: -346.165
Base-Backbone interact. energy: -1.283
local terms energy: -367.664369
where:
bonds (distance) C4'-P energy: -73.030
bonds (distance) P-C4' energy: -82.480
flat angles C4'-P-C4' energy: -94.019
flat angles P-C4'-P energy: -37.836
tors. eta vs tors. theta energy: -80.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1231.024602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.024602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.024602 (E_RNA)
where:
Base-Base interactions energy: -822.674
where: short stacking energy: -360.474
Base-Backbone interact. energy: -1.023
local terms energy: -407.327703
where:
bonds (distance) C4'-P energy: -84.516
bonds (distance) P-C4' energy: -78.291
flat angles C4'-P-C4' energy: -87.524
flat angles P-C4'-P energy: -54.649
tors. eta vs tors. theta energy: -102.348
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: 4
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1040.008603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.008603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.008603 (E_RNA)
where:
Base-Base interactions energy: -705.537
where: short stacking energy: -301.140
Base-Backbone interact. energy: -0.872
local terms energy: -333.599749
where:
bonds (distance) C4'-P energy: -63.500
bonds (distance) P-C4' energy: -78.797
flat angles C4'-P-C4' energy: -87.861
flat angles P-C4'-P energy: -41.604
tors. eta vs tors. theta energy: -61.839
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: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -709.858803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.858803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.858803 (E_RNA)
where:
Base-Base interactions energy: -419.282
where: short stacking energy: -207.322
Base-Backbone interact. energy: 0.373
local terms energy: -290.950339
where:
bonds (distance) C4'-P energy: -75.620
bonds (distance) P-C4' energy: -77.176
flat angles C4'-P-C4' energy: -69.489
flat angles P-C4'-P energy: -49.500
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1840.490063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.490063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.490063 (E_RNA)
where:
Base-Base interactions energy: -1272.216
where: short stacking energy: -543.353
Base-Backbone interact. energy: -1.898
local terms energy: -566.375663
where:
bonds (distance) C4'-P energy: -96.704
bonds (distance) P-C4' energy: -99.185
flat angles C4'-P-C4' energy: -119.324
flat angles P-C4'-P energy: -87.392
tors. eta vs tors. theta energy: -163.771
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: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1803.146929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.146929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.146929 (E_RNA)
where:
Base-Base interactions energy: -1270.407
where: short stacking energy: -544.984
Base-Backbone interact. energy: -1.828
local terms energy: -530.912756
where:
bonds (distance) C4'-P energy: -93.463
bonds (distance) P-C4' energy: -98.482
flat angles C4'-P-C4' energy: -100.936
flat angles P-C4'-P energy: -80.283
tors. eta vs tors. theta energy: -157.749
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: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1727.901577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.901577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.901577 (E_RNA)
where:
Base-Base interactions energy: -1211.551
where: short stacking energy: -494.476
Base-Backbone interact. energy: -1.074
local terms energy: -515.276592
where:
bonds (distance) C4'-P energy: -95.844
bonds (distance) P-C4' energy: -95.425
flat angles C4'-P-C4' energy: -108.986
flat angles P-C4'-P energy: -76.513
tors. eta vs tors. theta energy: -138.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1696.921343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.921343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.921343 (E_RNA)
where:
Base-Base interactions energy: -1192.244
where: short stacking energy: -510.487
Base-Backbone interact. energy: -3.548
local terms energy: -501.128941
where:
bonds (distance) C4'-P energy: -92.323
bonds (distance) P-C4' energy: -90.964
flat angles C4'-P-C4' energy: -101.290
flat angles P-C4'-P energy: -72.912
tors. eta vs tors. theta energy: -143.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1626.200963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.200963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.200963 (E_RNA)
where:
Base-Base interactions energy: -1155.125
where: short stacking energy: -468.827
Base-Backbone interact. energy: 0.586
local terms energy: -471.661211
where:
bonds (distance) C4'-P energy: -91.550
bonds (distance) P-C4' energy: -80.820
flat angles C4'-P-C4' energy: -99.329
flat angles P-C4'-P energy: -63.954
tors. eta vs tors. theta energy: -136.008
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: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1610.562341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.562341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.562341 (E_RNA)
where:
Base-Base interactions energy: -1144.572
where: short stacking energy: -480.786
Base-Backbone interact. energy: -2.739
local terms energy: -463.251310
where:
bonds (distance) C4'-P energy: -71.965
bonds (distance) P-C4' energy: -79.975
flat angles C4'-P-C4' energy: -99.916
flat angles P-C4'-P energy: -70.534
tors. eta vs tors. theta energy: -140.862
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: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1332.722984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.722984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.722984 (E_RNA)
where:
Base-Base interactions energy: -916.257
where: short stacking energy: -390.654
Base-Backbone interact. energy: 0.019
local terms energy: -416.484962
where:
bonds (distance) C4'-P energy: -85.288
bonds (distance) P-C4' energy: -74.127
flat angles C4'-P-C4' energy: -82.405
flat angles P-C4'-P energy: -68.378
tors. eta vs tors. theta energy: -106.287
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: 165
Temperature: 1.250000
Total energy: -1258.504142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.504142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.504142 (E_RNA)
where:
Base-Base interactions energy: -871.351
where: short stacking energy: -390.946
Base-Backbone interact. energy: -0.811
local terms energy: -386.342036
where:
bonds (distance) C4'-P energy: -68.636
bonds (distance) P-C4' energy: -81.063
flat angles C4'-P-C4' energy: -72.086
flat angles P-C4'-P energy: -59.381
tors. eta vs tors. theta energy: -105.175
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: 4
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1135.395076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.395076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.395076 (E_RNA)
where:
Base-Base interactions energy: -770.913
where: short stacking energy: -328.443
Base-Backbone interact. energy: -1.365
local terms energy: -363.116797
where:
bonds (distance) C4'-P energy: -65.835
bonds (distance) P-C4' energy: -80.005
flat angles C4'-P-C4' energy: -96.267
flat angles P-C4'-P energy: -59.545
tors. eta vs tors. theta energy: -61.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -717.958419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.958419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.958419 (E_RNA)
where:
Base-Base interactions energy: -431.159
where: short stacking energy: -219.468
Base-Backbone interact. energy: 0.568
local terms energy: -287.366636
where:
bonds (distance) C4'-P energy: -81.044
bonds (distance) P-C4' energy: -67.853
flat angles C4'-P-C4' energy: -80.310
flat angles P-C4'-P energy: -29.597
tors. eta vs tors. theta energy: -28.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1859.467964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.467964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.467964 (E_RNA)
where:
Base-Base interactions energy: -1320.385
where: short stacking energy: -558.381
Base-Backbone interact. energy: -1.351
local terms energy: -537.731460
where:
bonds (distance) C4'-P energy: -94.983
bonds (distance) P-C4' energy: -83.499
flat angles C4'-P-C4' energy: -110.658
flat angles P-C4'-P energy: -84.512
tors. eta vs tors. theta energy: -164.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1793.655718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.655718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.655718 (E_RNA)
where:
Base-Base interactions energy: -1281.044
where: short stacking energy: -539.356
Base-Backbone interact. energy: -1.032
local terms energy: -511.579722
where:
bonds (distance) C4'-P energy: -82.801
bonds (distance) P-C4' energy: -83.228
flat angles C4'-P-C4' energy: -107.746
flat angles P-C4'-P energy: -81.406
tors. eta vs tors. theta energy: -156.399
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: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1737.156347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.156347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.156347 (E_RNA)
where:
Base-Base interactions energy: -1235.838
where: short stacking energy: -511.045
Base-Backbone interact. energy: -0.971
local terms energy: -500.346915
where:
bonds (distance) C4'-P energy: -79.611
bonds (distance) P-C4' energy: -99.818
flat angles C4'-P-C4' energy: -113.066
flat angles P-C4'-P energy: -60.987
tors. eta vs tors. theta energy: -146.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1705.306178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.306178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.306178 (E_RNA)
where:
Base-Base interactions energy: -1191.262
where: short stacking energy: -489.421
Base-Backbone interact. energy: -1.545
local terms energy: -512.498738
where:
bonds (distance) C4'-P energy: -89.667
bonds (distance) P-C4' energy: -96.914
flat angles C4'-P-C4' energy: -110.965
flat angles P-C4'-P energy: -74.723
tors. eta vs tors. theta energy: -140.229
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: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1642.738643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.738643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.738643 (E_RNA)
where:
Base-Base interactions energy: -1169.434
where: short stacking energy: -477.516
Base-Backbone interact. energy: -0.042
local terms energy: -473.262356
where:
bonds (distance) C4'-P energy: -77.625
bonds (distance) P-C4' energy: -75.707
flat angles C4'-P-C4' energy: -108.495
flat angles P-C4'-P energy: -71.911
tors. eta vs tors. theta energy: -139.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1585.668342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.668342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.668342 (E_RNA)
where:
Base-Base interactions energy: -1120.464
where: short stacking energy: -468.213
Base-Backbone interact. energy: -1.932
local terms energy: -463.272957
where:
bonds (distance) C4'-P energy: -76.352
bonds (distance) P-C4' energy: -85.017
flat angles C4'-P-C4' energy: -98.952
flat angles P-C4'-P energy: -67.585
tors. eta vs tors. theta energy: -135.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1343.658745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.658745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.658745 (E_RNA)
where:
Base-Base interactions energy: -910.660
where: short stacking energy: -376.597
Base-Backbone interact. energy: -0.770
local terms energy: -432.228519
where:
bonds (distance) C4'-P energy: -84.471
bonds (distance) P-C4' energy: -85.210
flat angles C4'-P-C4' energy: -91.012
flat angles P-C4'-P energy: -66.602
tors. eta vs tors. theta energy: -104.933
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: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1233.433391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.433391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.433391 (E_RNA)
where:
Base-Base interactions energy: -831.530
where: short stacking energy: -335.452
Base-Backbone interact. energy: 2.609
local terms energy: -404.512748
where:
bonds (distance) C4'-P energy: -81.189
bonds (distance) P-C4' energy: -93.422
flat angles C4'-P-C4' energy: -89.135
flat angles P-C4'-P energy: -61.740
tors. eta vs tors. theta energy: -79.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1117.484427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.484427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.484427 (E_RNA)
where:
Base-Base interactions energy: -753.900
where: short stacking energy: -315.958
Base-Backbone interact. energy: -0.065
local terms energy: -363.519062
where:
bonds (distance) C4'-P energy: -77.697
bonds (distance) P-C4' energy: -91.012
flat angles C4'-P-C4' energy: -83.590
flat angles P-C4'-P energy: -52.491
tors. eta vs tors. theta energy: -58.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -715.814263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.814263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.814263 (E_RNA)
where:
Base-Base interactions energy: -424.243
where: short stacking energy: -209.122
Base-Backbone interact. energy: -1.195
local terms energy: -290.376047
where:
bonds (distance) C4'-P energy: -76.605
bonds (distance) P-C4' energy: -77.460
flat angles C4'-P-C4' energy: -75.544
flat angles P-C4'-P energy: -39.569
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: 167
Temperature: 0.900000
Total energy: -1839.370813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.370813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.370813 (E_RNA)
where:
Base-Base interactions energy: -1285.632
where: short stacking energy: -557.194
Base-Backbone interact. energy: -1.364
local terms energy: -552.374554
where:
bonds (distance) C4'-P energy: -85.187
bonds (distance) P-C4' energy: -100.986
flat angles C4'-P-C4' energy: -116.138
flat angles P-C4'-P energy: -79.329
tors. eta vs tors. theta energy: -170.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1798.605074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.605074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.605074 (E_RNA)
where:
Base-Base interactions energy: -1285.004
where: short stacking energy: -533.886
Base-Backbone interact. energy: -0.862
local terms energy: -512.739430
where:
bonds (distance) C4'-P energy: -85.669
bonds (distance) P-C4' energy: -96.739
flat angles C4'-P-C4' energy: -106.999
flat angles P-C4'-P energy: -71.011
tors. eta vs tors. theta energy: -152.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1730.565947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.565947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.565947 (E_RNA)
where:
Base-Base interactions energy: -1220.324
where: short stacking energy: -485.058
Base-Backbone interact. energy: -1.405
local terms energy: -508.836503
where:
bonds (distance) C4'-P energy: -97.140
bonds (distance) P-C4' energy: -84.533
flat angles C4'-P-C4' energy: -100.550
flat angles P-C4'-P energy: -79.894
tors. eta vs tors. theta energy: -146.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1728.594363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.594363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.594363 (E_RNA)
where:
Base-Base interactions energy: -1221.161
where: short stacking energy: -517.345
Base-Backbone interact. energy: -0.489
local terms energy: -506.944070
where:
bonds (distance) C4'-P energy: -83.084
bonds (distance) P-C4' energy: -90.450
flat angles C4'-P-C4' energy: -108.262
flat angles P-C4'-P energy: -73.778
tors. eta vs tors. theta energy: -151.370
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: 5, replica: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1639.707210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.707210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.707210 (E_RNA)
where:
Base-Base interactions energy: -1167.223
where: short stacking energy: -466.583
Base-Backbone interact. energy: -1.562
local terms energy: -470.922493
where:
bonds (distance) C4'-P energy: -73.671
bonds (distance) P-C4' energy: -90.776
flat angles C4'-P-C4' energy: -100.056
flat angles P-C4'-P energy: -65.139
tors. eta vs tors. theta energy: -141.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1590.917294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.917294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.917294 (E_RNA)
where:
Base-Base interactions energy: -1144.494
where: short stacking energy: -484.685
Base-Backbone interact. energy: -0.569
local terms energy: -445.854484
where:
bonds (distance) C4'-P energy: -88.137
bonds (distance) P-C4' energy: -76.045
flat angles C4'-P-C4' energy: -98.507
flat angles P-C4'-P energy: -55.610
tors. eta vs tors. theta energy: -127.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1311.115678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.115678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.115678 (E_RNA)
where:
Base-Base interactions energy: -911.433
where: short stacking energy: -395.079
Base-Backbone interact. energy: -2.737
local terms energy: -396.944958
where:
bonds (distance) C4'-P energy: -63.520
bonds (distance) P-C4' energy: -76.640
flat angles C4'-P-C4' energy: -88.574
flat angles P-C4'-P energy: -68.139
tors. eta vs tors. theta energy: -100.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1255.827152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.827152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.827152 (E_RNA)
where:
Base-Base interactions energy: -836.595
where: short stacking energy: -361.700
Base-Backbone interact. energy: 0.117
local terms energy: -419.348892
where:
bonds (distance) C4'-P energy: -74.821
bonds (distance) P-C4' energy: -99.649
flat angles C4'-P-C4' energy: -87.782
flat angles P-C4'-P energy: -64.966
tors. eta vs tors. theta energy: -92.131
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: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1066.998025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.998025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.998025 (E_RNA)
where:
Base-Base interactions energy: -725.642
where: short stacking energy: -290.044
Base-Backbone interact. energy: 0.415
local terms energy: -341.771809
where:
bonds (distance) C4'-P energy: -79.222
bonds (distance) P-C4' energy: -78.997
flat angles C4'-P-C4' energy: -81.518
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -55.785
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: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -722.377974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.377974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.377974 (E_RNA)
where:
Base-Base interactions energy: -429.961
where: short stacking energy: -193.361
Base-Backbone interact. energy: -2.356
local terms energy: -290.060710
where:
bonds (distance) C4'-P energy: -75.040
bonds (distance) P-C4' energy: -90.047
flat angles C4'-P-C4' energy: -66.897
flat angles P-C4'-P energy: -49.312
tors. eta vs tors. theta energy: -8.765
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: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1853.747299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.747299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.747299 (E_RNA)
where:
Base-Base interactions energy: -1291.703
where: short stacking energy: -535.243
Base-Backbone interact. energy: -2.198
local terms energy: -559.846213
where:
bonds (distance) C4'-P energy: -98.067
bonds (distance) P-C4' energy: -104.570
flat angles C4'-P-C4' energy: -117.222
flat angles P-C4'-P energy: -81.409
tors. eta vs tors. theta energy: -158.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1793.238214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.238214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.238214 (E_RNA)
where:
Base-Base interactions energy: -1246.419
where: short stacking energy: -539.818
Base-Backbone interact. energy: -1.167
local terms energy: -545.652347
where:
bonds (distance) C4'-P energy: -89.310
bonds (distance) P-C4' energy: -106.399
flat angles C4'-P-C4' energy: -107.866
flat angles P-C4'-P energy: -88.614
tors. eta vs tors. theta energy: -153.463
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: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1729.908541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.908541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.908541 (E_RNA)
where:
Base-Base interactions energy: -1197.403
where: short stacking energy: -513.579
Base-Backbone interact. energy: -1.643
local terms energy: -530.862014
where:
bonds (distance) C4'-P energy: -87.146
bonds (distance) P-C4' energy: -98.354
flat angles C4'-P-C4' energy: -116.614
flat angles P-C4'-P energy: -80.794
tors. eta vs tors. theta energy: -147.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1676.287382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.287382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.287382 (E_RNA)
where:
Base-Base interactions energy: -1192.793
where: short stacking energy: -482.957
Base-Backbone interact. energy: -1.750
local terms energy: -481.743820
where:
bonds (distance) C4'-P energy: -77.332
bonds (distance) P-C4' energy: -89.872
flat angles C4'-P-C4' energy: -104.005
flat angles P-C4'-P energy: -75.402
tors. eta vs tors. theta energy: -135.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1639.562734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.562734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.562734 (E_RNA)
where:
Base-Base interactions energy: -1165.108
where: short stacking energy: -476.232
Base-Backbone interact. energy: 0.796
local terms energy: -475.250809
where:
bonds (distance) C4'-P energy: -92.383
bonds (distance) P-C4' energy: -88.003
flat angles C4'-P-C4' energy: -105.480
flat angles P-C4'-P energy: -60.194
tors. eta vs tors. theta energy: -129.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1550.944056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.944056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.944056 (E_RNA)
where:
Base-Base interactions energy: -1095.829
where: short stacking energy: -447.023
Base-Backbone interact. energy: 0.772
local terms energy: -455.887211
where:
bonds (distance) C4'-P energy: -88.444
bonds (distance) P-C4' energy: -84.052
flat angles C4'-P-C4' energy: -93.160
flat angles P-C4'-P energy: -62.773
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: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1313.121760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.121760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.121760 (E_RNA)
where:
Base-Base interactions energy: -930.066
where: short stacking energy: -394.838
Base-Backbone interact. energy: -1.448
local terms energy: -381.608617
where:
bonds (distance) C4'-P energy: -75.450
bonds (distance) P-C4' energy: -68.408
flat angles C4'-P-C4' energy: -84.399
flat angles P-C4'-P energy: -61.277
tors. eta vs tors. theta energy: -92.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1240.360190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.360190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.360190 (E_RNA)
where:
Base-Base interactions energy: -839.973
where: short stacking energy: -357.535
Base-Backbone interact. energy: -1.722
local terms energy: -398.665390
where:
bonds (distance) C4'-P energy: -83.851
bonds (distance) P-C4' energy: -89.497
flat angles C4'-P-C4' energy: -81.089
flat angles P-C4'-P energy: -55.268
tors. eta vs tors. theta energy: -88.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1022.759357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.759357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.759357 (E_RNA)
where:
Base-Base interactions energy: -691.540
where: short stacking energy: -292.062
Base-Backbone interact. energy: -0.927
local terms energy: -330.292683
where:
bonds (distance) C4'-P energy: -61.759
bonds (distance) P-C4' energy: -68.312
flat angles C4'-P-C4' energy: -92.325
flat angles P-C4'-P energy: -52.809
tors. eta vs tors. theta energy: -55.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -751.905323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.905323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.905323 (E_RNA)
where:
Base-Base interactions energy: -443.662
where: short stacking energy: -202.229
Base-Backbone interact. energy: -2.811
local terms energy: -305.431988
where:
bonds (distance) C4'-P energy: -72.632
bonds (distance) P-C4' energy: -89.714
flat angles C4'-P-C4' energy: -70.010
flat angles P-C4'-P energy: -44.536
tors. eta vs tors. theta energy: -28.541
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: 169
Temperature: 0.900000
Total energy: -1843.786343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.786343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.786343 (E_RNA)
where:
Base-Base interactions energy: -1295.604
where: short stacking energy: -547.423
Base-Backbone interact. energy: -2.003
local terms energy: -546.179408
where:
bonds (distance) C4'-P energy: -88.110
bonds (distance) P-C4' energy: -96.047
flat angles C4'-P-C4' energy: -118.329
flat angles P-C4'-P energy: -80.094
tors. eta vs tors. theta energy: -163.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1784.888763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.888763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.888763 (E_RNA)
where:
Base-Base interactions energy: -1250.941
where: short stacking energy: -536.961
Base-Backbone interact. energy: -0.034
local terms energy: -533.913513
where:
bonds (distance) C4'-P energy: -100.080
bonds (distance) P-C4' energy: -96.215
flat angles C4'-P-C4' energy: -101.097
flat angles P-C4'-P energy: -75.530
tors. eta vs tors. theta energy: -160.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1757.243952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.243952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.243952 (E_RNA)
where:
Base-Base interactions energy: -1237.677
where: short stacking energy: -518.968
Base-Backbone interact. energy: 0.243
local terms energy: -519.809880
where:
bonds (distance) C4'-P energy: -94.047
bonds (distance) P-C4' energy: -93.368
flat angles C4'-P-C4' energy: -106.886
flat angles P-C4'-P energy: -75.846
tors. eta vs tors. theta energy: -149.663
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: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1672.208567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.208567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.208567 (E_RNA)
where:
Base-Base interactions energy: -1184.383
where: short stacking energy: -489.746
Base-Backbone interact. energy: -1.478
local terms energy: -486.347571
where:
bonds (distance) C4'-P energy: -71.710
bonds (distance) P-C4' energy: -105.400
flat angles C4'-P-C4' energy: -110.069
flat angles P-C4'-P energy: -63.311
tors. eta vs tors. theta energy: -135.857
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: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1607.843007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.843007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.843007 (E_RNA)
where:
Base-Base interactions energy: -1125.418
where: short stacking energy: -473.909
Base-Backbone interact. energy: -2.066
local terms energy: -480.359369
where:
bonds (distance) C4'-P energy: -93.577
bonds (distance) P-C4' energy: -84.792
flat angles C4'-P-C4' energy: -88.428
flat angles P-C4'-P energy: -75.868
tors. eta vs tors. theta energy: -137.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1553.247426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.247426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.247426 (E_RNA)
where:
Base-Base interactions energy: -1098.445
where: short stacking energy: -456.430
Base-Backbone interact. energy: -1.667
local terms energy: -453.136076
where:
bonds (distance) C4'-P energy: -73.454
bonds (distance) P-C4' energy: -82.663
flat angles C4'-P-C4' energy: -110.482
flat angles P-C4'-P energy: -61.430
tors. eta vs tors. theta energy: -125.107
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: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1304.150162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.150162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.150162 (E_RNA)
where:
Base-Base interactions energy: -917.431
where: short stacking energy: -383.889
Base-Backbone interact. energy: 5.125
local terms energy: -391.843562
where:
bonds (distance) C4'-P energy: -77.318
bonds (distance) P-C4' energy: -72.543
flat angles C4'-P-C4' energy: -85.424
flat angles P-C4'-P energy: -57.570
tors. eta vs tors. theta energy: -98.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1278.817596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.817596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.817596 (E_RNA)
where:
Base-Base interactions energy: -880.193
where: short stacking energy: -382.613
Base-Backbone interact. energy: -0.362
local terms energy: -398.262226
where:
bonds (distance) C4'-P energy: -84.498
bonds (distance) P-C4' energy: -76.422
flat angles C4'-P-C4' energy: -87.023
flat angles P-C4'-P energy: -53.411
tors. eta vs tors. theta energy: -96.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1064.911654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.911654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.911654 (E_RNA)
where:
Base-Base interactions energy: -710.952
where: short stacking energy: -303.530
Base-Backbone interact. energy: -0.882
local terms energy: -353.077286
where:
bonds (distance) C4'-P energy: -77.046
bonds (distance) P-C4' energy: -74.544
flat angles C4'-P-C4' energy: -87.777
flat angles P-C4'-P energy: -53.747
tors. eta vs tors. theta energy: -59.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -704.867756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.867756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.867756 (E_RNA)
where:
Base-Base interactions energy: -401.342
where: short stacking energy: -208.510
Base-Backbone interact. energy: 0.335
local terms energy: -303.861018
where:
bonds (distance) C4'-P energy: -74.161
bonds (distance) P-C4' energy: -95.592
flat angles C4'-P-C4' energy: -73.071
flat angles P-C4'-P energy: -36.871
tors. eta vs tors. theta energy: -24.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1855.999185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.999185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.999185 (E_RNA)
where:
Base-Base interactions energy: -1291.122
where: short stacking energy: -540.654
Base-Backbone interact. energy: -2.178
local terms energy: -562.699271
where:
bonds (distance) C4'-P energy: -101.372
bonds (distance) P-C4' energy: -102.650
flat angles C4'-P-C4' energy: -114.031
flat angles P-C4'-P energy: -78.519
tors. eta vs tors. theta energy: -166.128
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: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1809.148553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.148553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.148553 (E_RNA)
where:
Base-Base interactions energy: -1271.797
where: short stacking energy: -529.597
Base-Backbone interact. energy: -1.087
local terms energy: -536.265291
where:
bonds (distance) C4'-P energy: -100.372
bonds (distance) P-C4' energy: -94.177
flat angles C4'-P-C4' energy: -108.374
flat angles P-C4'-P energy: -84.746
tors. eta vs tors. theta energy: -148.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1756.496321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.496321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.496321 (E_RNA)
where:
Base-Base interactions energy: -1245.346
where: short stacking energy: -517.540
Base-Backbone interact. energy: -1.210
local terms energy: -509.940839
where:
bonds (distance) C4'-P energy: -84.170
bonds (distance) P-C4' energy: -86.619
flat angles C4'-P-C4' energy: -106.786
flat angles P-C4'-P energy: -82.525
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: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1669.520639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.520639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.520639 (E_RNA)
where:
Base-Base interactions energy: -1169.332
where: short stacking energy: -512.356
Base-Backbone interact. energy: 0.984
local terms energy: -501.171917
where:
bonds (distance) C4'-P energy: -81.158
bonds (distance) P-C4' energy: -92.159
flat angles C4'-P-C4' energy: -107.717
flat angles P-C4'-P energy: -70.219
tors. eta vs tors. theta energy: -149.920
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: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1620.252421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.252421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.252421 (E_RNA)
where:
Base-Base interactions energy: -1145.355
where: short stacking energy: -461.544
Base-Backbone interact. energy: -1.283
local terms energy: -473.613991
where:
bonds (distance) C4'-P energy: -87.283
bonds (distance) P-C4' energy: -89.090
flat angles C4'-P-C4' energy: -96.146
flat angles P-C4'-P energy: -63.565
tors. eta vs tors. theta energy: -137.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1512.440600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.440600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.440600 (E_RNA)
where:
Base-Base interactions energy: -1052.460
where: short stacking energy: -436.000
Base-Backbone interact. energy: -2.761
local terms energy: -457.219035
where:
bonds (distance) C4'-P energy: -74.936
bonds (distance) P-C4' energy: -90.451
flat angles C4'-P-C4' energy: -102.887
flat angles P-C4'-P energy: -66.854
tors. eta vs tors. theta energy: -122.091
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: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1366.059240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.059240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.059240 (E_RNA)
where:
Base-Base interactions energy: -940.570
where: short stacking energy: -397.836
Base-Backbone interact. energy: -1.760
local terms energy: -423.729722
where:
bonds (distance) C4'-P energy: -89.054
bonds (distance) P-C4' energy: -76.112
flat angles C4'-P-C4' energy: -91.523
flat angles P-C4'-P energy: -62.537
tors. eta vs tors. theta energy: -104.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1211.835704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.835704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.835704 (E_RNA)
where:
Base-Base interactions energy: -816.697
where: short stacking energy: -355.574
Base-Backbone interact. energy: -0.880
local terms energy: -394.258747
where:
bonds (distance) C4'-P energy: -73.558
bonds (distance) P-C4' energy: -86.469
flat angles C4'-P-C4' energy: -80.647
flat angles P-C4'-P energy: -65.556
tors. eta vs tors. theta energy: -88.029
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: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1144.843716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.843716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.843716 (E_RNA)
where:
Base-Base interactions energy: -765.471
where: short stacking energy: -306.236
Base-Backbone interact. energy: 1.042
local terms energy: -380.415344
where:
bonds (distance) C4'-P energy: -77.082
bonds (distance) P-C4' energy: -84.706
flat angles C4'-P-C4' energy: -80.727
flat angles P-C4'-P energy: -64.056
tors. eta vs tors. theta energy: -73.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -701.710417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.710417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.710417 (E_RNA)
where:
Base-Base interactions energy: -388.495
where: short stacking energy: -194.862
Base-Backbone interact. energy: -0.086
local terms energy: -313.130204
where:
bonds (distance) C4'-P energy: -73.931
bonds (distance) P-C4' energy: -88.246
flat angles C4'-P-C4' energy: -73.668
flat angles P-C4'-P energy: -46.942
tors. eta vs tors. theta energy: -30.344
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: 171
Temperature: 0.900000
Total energy: -1851.786703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.786703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.786703 (E_RNA)
where:
Base-Base interactions energy: -1299.603
where: short stacking energy: -546.306
Base-Backbone interact. energy: -1.593
local terms energy: -550.590429
where:
bonds (distance) C4'-P energy: -104.228
bonds (distance) P-C4' energy: -94.791
flat angles C4'-P-C4' energy: -112.315
flat angles P-C4'-P energy: -76.196
tors. eta vs tors. theta energy: -163.060
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: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1789.948434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.948434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.948434 (E_RNA)
where:
Base-Base interactions energy: -1270.509
where: short stacking energy: -538.234
Base-Backbone interact. energy: 1.151
local terms energy: -520.589937
where:
bonds (distance) C4'-P energy: -91.938
bonds (distance) P-C4' energy: -89.598
flat angles C4'-P-C4' energy: -112.257
flat angles P-C4'-P energy: -75.125
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: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1745.173324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.173324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.173324 (E_RNA)
where:
Base-Base interactions energy: -1224.652
where: short stacking energy: -517.751
Base-Backbone interact. energy: -0.503
local terms energy: -520.018792
where:
bonds (distance) C4'-P energy: -96.784
bonds (distance) P-C4' energy: -91.122
flat angles C4'-P-C4' energy: -107.990
flat angles P-C4'-P energy: -75.314
tors. eta vs tors. theta energy: -148.809
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: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1694.134414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.134414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.134414 (E_RNA)
where:
Base-Base interactions energy: -1188.306
where: short stacking energy: -478.649
Base-Backbone interact. energy: -1.805
local terms energy: -504.023804
where:
bonds (distance) C4'-P energy: -89.627
bonds (distance) P-C4' energy: -96.719
flat angles C4'-P-C4' energy: -107.405
flat angles P-C4'-P energy: -78.904
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: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1624.776155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.776155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.776155 (E_RNA)
where:
Base-Base interactions energy: -1125.110
where: short stacking energy: -494.099
Base-Backbone interact. energy: -0.656
local terms energy: -499.009757
where:
bonds (distance) C4'-P energy: -77.632
bonds (distance) P-C4' energy: -93.075
flat angles C4'-P-C4' energy: -114.733
flat angles P-C4'-P energy: -69.063
tors. eta vs tors. theta energy: -144.507
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: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1524.347918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.347918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.347918 (E_RNA)
where:
Base-Base interactions energy: -1061.131
where: short stacking energy: -432.435
Base-Backbone interact. energy: -0.109
local terms energy: -463.108007
where:
bonds (distance) C4'-P energy: -86.555
bonds (distance) P-C4' energy: -98.811
flat angles C4'-P-C4' energy: -94.384
flat angles P-C4'-P energy: -60.267
tors. eta vs tors. theta energy: -123.091
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: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1403.369172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.369172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.369172 (E_RNA)
where:
Base-Base interactions energy: -988.292
where: short stacking energy: -422.716
Base-Backbone interact. energy: 1.172
local terms energy: -416.249639
where:
bonds (distance) C4'-P energy: -65.423
bonds (distance) P-C4' energy: -93.697
flat angles C4'-P-C4' energy: -78.725
flat angles P-C4'-P energy: -50.132
tors. eta vs tors. theta energy: -128.273
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: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1178.425020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.425020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.425020 (E_RNA)
where:
Base-Base interactions energy: -805.958
where: short stacking energy: -349.107
Base-Backbone interact. energy: -0.201
local terms energy: -372.266026
where:
bonds (distance) C4'-P energy: -69.245
bonds (distance) P-C4' energy: -68.791
flat angles C4'-P-C4' energy: -91.052
flat angles P-C4'-P energy: -55.358
tors. eta vs tors. theta energy: -87.820
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: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1141.695662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.695662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.695662 (E_RNA)
where:
Base-Base interactions energy: -775.646
where: short stacking energy: -325.914
Base-Backbone interact. energy: 1.532
local terms energy: -367.582312
where:
bonds (distance) C4'-P energy: -77.913
bonds (distance) P-C4' energy: -81.521
flat angles C4'-P-C4' energy: -97.448
flat angles P-C4'-P energy: -49.121
tors. eta vs tors. theta energy: -61.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -669.006023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.006023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.006023 (E_RNA)
where:
Base-Base interactions energy: -391.400
where: short stacking energy: -188.511
Base-Backbone interact. energy: 1.483
local terms energy: -279.088812
where:
bonds (distance) C4'-P energy: -70.700
bonds (distance) P-C4' energy: -78.214
flat angles C4'-P-C4' energy: -70.357
flat angles P-C4'-P energy: -54.793
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1855.494929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.494929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.494929 (E_RNA)
where:
Base-Base interactions energy: -1305.027
where: short stacking energy: -532.762
Base-Backbone interact. energy: -0.569
local terms energy: -549.899460
where:
bonds (distance) C4'-P energy: -93.410
bonds (distance) P-C4' energy: -104.751
flat angles C4'-P-C4' energy: -116.859
flat angles P-C4'-P energy: -76.881
tors. eta vs tors. theta energy: -157.999
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: 172
Temperature: 0.950000
Total energy: -1826.301033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.301033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.301033 (E_RNA)
where:
Base-Base interactions energy: -1273.558
where: short stacking energy: -531.161
Base-Backbone interact. energy: -1.260
local terms energy: -551.483376
where:
bonds (distance) C4'-P energy: -99.785
bonds (distance) P-C4' energy: -101.066
flat angles C4'-P-C4' energy: -108.174
flat angles P-C4'-P energy: -80.945
tors. eta vs tors. theta energy: -161.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1764.153446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.153446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.153446 (E_RNA)
where:
Base-Base interactions energy: -1218.462
where: short stacking energy: -507.021
Base-Backbone interact. energy: -0.341
local terms energy: -545.351122
where:
bonds (distance) C4'-P energy: -94.644
bonds (distance) P-C4' energy: -97.154
flat angles C4'-P-C4' energy: -118.520
flat angles P-C4'-P energy: -89.123
tors. eta vs tors. theta energy: -145.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1666.488061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.488061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.488061 (E_RNA)
where:
Base-Base interactions energy: -1158.526
where: short stacking energy: -489.941
Base-Backbone interact. energy: -1.931
local terms energy: -506.031084
where:
bonds (distance) C4'-P energy: -91.318
bonds (distance) P-C4' energy: -96.338
flat angles C4'-P-C4' energy: -106.419
flat angles P-C4'-P energy: -76.775
tors. eta vs tors. theta energy: -135.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1647.176073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.176073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.176073 (E_RNA)
where:
Base-Base interactions energy: -1173.769
where: short stacking energy: -500.558
Base-Backbone interact. energy: 0.797
local terms energy: -474.203704
where:
bonds (distance) C4'-P energy: -93.098
bonds (distance) P-C4' energy: -72.320
flat angles C4'-P-C4' energy: -102.634
flat angles P-C4'-P energy: -64.993
tors. eta vs tors. theta energy: -141.159
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: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1540.970540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.970540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.970540 (E_RNA)
where:
Base-Base interactions energy: -1079.620
where: short stacking energy: -451.245
Base-Backbone interact. energy: -1.234
local terms energy: -460.116438
where:
bonds (distance) C4'-P energy: -90.731
bonds (distance) P-C4' energy: -75.177
flat angles C4'-P-C4' energy: -99.740
flat angles P-C4'-P energy: -69.086
tors. eta vs tors. theta energy: -125.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1374.347317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.347317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.347317 (E_RNA)
where:
Base-Base interactions energy: -932.019
where: short stacking energy: -382.910
Base-Backbone interact. energy: -0.182
local terms energy: -442.146705
where:
bonds (distance) C4'-P energy: -81.317
bonds (distance) P-C4' energy: -93.018
flat angles C4'-P-C4' energy: -95.190
flat angles P-C4'-P energy: -59.649
tors. eta vs tors. theta energy: -112.972
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: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1185.350725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.350725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.350725 (E_RNA)
where:
Base-Base interactions energy: -795.092
where: short stacking energy: -325.183
Base-Backbone interact. energy: -1.153
local terms energy: -389.105498
where:
bonds (distance) C4'-P energy: -82.737
bonds (distance) P-C4' energy: -92.856
flat angles C4'-P-C4' energy: -86.998
flat angles P-C4'-P energy: -44.924
tors. eta vs tors. theta energy: -81.591
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: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1118.314883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.314883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.314883 (E_RNA)
where:
Base-Base interactions energy: -732.418
where: short stacking energy: -312.869
Base-Backbone interact. energy: -1.935
local terms energy: -383.961840
where:
bonds (distance) C4'-P energy: -66.051
bonds (distance) P-C4' energy: -90.055
flat angles C4'-P-C4' energy: -91.524
flat angles P-C4'-P energy: -66.819
tors. eta vs tors. theta energy: -69.514
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: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -660.876400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.876400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.876400 (E_RNA)
where:
Base-Base interactions energy: -404.832
where: short stacking energy: -201.043
Base-Backbone interact. energy: -2.150
local terms energy: -253.894207
where:
bonds (distance) C4'-P energy: -53.860
bonds (distance) P-C4' energy: -81.105
flat angles C4'-P-C4' energy: -67.453
flat angles P-C4'-P energy: -43.978
tors. eta vs tors. theta energy: -7.499
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: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1851.019803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.019803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.019803 (E_RNA)
where:
Base-Base interactions energy: -1322.369
where: short stacking energy: -562.533
Base-Backbone interact. energy: -0.897
local terms energy: -527.754184
where:
bonds (distance) C4'-P energy: -86.176
bonds (distance) P-C4' energy: -91.481
flat angles C4'-P-C4' energy: -109.210
flat angles P-C4'-P energy: -82.558
tors. eta vs tors. theta energy: -158.330
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: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1809.777312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.777312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.777312 (E_RNA)
where:
Base-Base interactions energy: -1275.753
where: short stacking energy: -530.630
Base-Backbone interact. energy: -0.814
local terms energy: -533.210697
where:
bonds (distance) C4'-P energy: -91.003
bonds (distance) P-C4' energy: -93.769
flat angles C4'-P-C4' energy: -113.330
flat angles P-C4'-P energy: -81.462
tors. eta vs tors. theta energy: -153.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1757.766639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.766639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.766639 (E_RNA)
where:
Base-Base interactions energy: -1252.204
where: short stacking energy: -520.444
Base-Backbone interact. energy: -2.927
local terms energy: -502.636036
where:
bonds (distance) C4'-P energy: -94.666
bonds (distance) P-C4' energy: -89.932
flat angles C4'-P-C4' energy: -104.443
flat angles P-C4'-P energy: -72.649
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: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1650.844895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.844895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.844895 (E_RNA)
where:
Base-Base interactions energy: -1147.640
where: short stacking energy: -484.673
Base-Backbone interact. energy: 1.057
local terms energy: -504.262160
where:
bonds (distance) C4'-P energy: -90.894
bonds (distance) P-C4' energy: -91.842
flat angles C4'-P-C4' energy: -107.029
flat angles P-C4'-P energy: -69.802
tors. eta vs tors. theta energy: -144.695
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: 173
Temperature: 1.100000
Total energy: -1652.372141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.372141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.372141 (E_RNA)
where:
Base-Base interactions energy: -1198.286
where: short stacking energy: -494.603
Base-Backbone interact. energy: -1.384
local terms energy: -452.703004
where:
bonds (distance) C4'-P energy: -76.904
bonds (distance) P-C4' energy: -67.378
flat angles C4'-P-C4' energy: -104.902
flat angles P-C4'-P energy: -65.295
tors. eta vs tors. theta energy: -138.223
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: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1566.386673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.386673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.386673 (E_RNA)
where:
Base-Base interactions energy: -1124.913
where: short stacking energy: -457.461
Base-Backbone interact. energy: 1.101
local terms energy: -442.574587
where:
bonds (distance) C4'-P energy: -84.828
bonds (distance) P-C4' energy: -77.060
flat angles C4'-P-C4' energy: -100.796
flat angles P-C4'-P energy: -52.212
tors. eta vs tors. theta energy: -127.679
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: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1394.696502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.696502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.696502 (E_RNA)
where:
Base-Base interactions energy: -986.576
where: short stacking energy: -400.200
Base-Backbone interact. energy: -0.978
local terms energy: -407.141663
where:
bonds (distance) C4'-P energy: -74.852
bonds (distance) P-C4' energy: -80.361
flat angles C4'-P-C4' energy: -85.555
flat angles P-C4'-P energy: -59.108
tors. eta vs tors. theta energy: -107.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1260.569449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.569449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.569449 (E_RNA)
where:
Base-Base interactions energy: -877.038
where: short stacking energy: -376.088
Base-Backbone interact. energy: 4.692
local terms energy: -388.222852
where:
bonds (distance) C4'-P energy: -67.051
bonds (distance) P-C4' energy: -78.231
flat angles C4'-P-C4' energy: -91.917
flat angles P-C4'-P energy: -50.974
tors. eta vs tors. theta energy: -100.050
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: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1045.776652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.776652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.776652 (E_RNA)
where:
Base-Base interactions energy: -746.786
where: short stacking energy: -308.557
Base-Backbone interact. energy: 0.985
local terms energy: -299.975948
where:
bonds (distance) C4'-P energy: -62.927
bonds (distance) P-C4' energy: -75.348
flat angles C4'-P-C4' energy: -82.197
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -53.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -682.751294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.751294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.751294 (E_RNA)
where:
Base-Base interactions energy: -357.660
where: short stacking energy: -196.127
Base-Backbone interact. energy: 0.065
local terms energy: -325.156618
where:
bonds (distance) C4'-P energy: -85.918
bonds (distance) P-C4' energy: -79.482
flat angles C4'-P-C4' energy: -97.533
flat angles P-C4'-P energy: -43.519
tors. eta vs tors. theta energy: -18.706
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: 8
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1865.528467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.528467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.528467 (E_RNA)
where:
Base-Base interactions energy: -1307.019
where: short stacking energy: -535.265
Base-Backbone interact. energy: -1.720
local terms energy: -556.789792
where:
bonds (distance) C4'-P energy: -100.560
bonds (distance) P-C4' energy: -103.920
flat angles C4'-P-C4' energy: -114.515
flat angles P-C4'-P energy: -83.700
tors. eta vs tors. theta energy: -154.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1813.141286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.141286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.141286 (E_RNA)
where:
Base-Base interactions energy: -1271.257
where: short stacking energy: -535.731
Base-Backbone interact. energy: 0.685
local terms energy: -542.569422
where:
bonds (distance) C4'-P energy: -92.962
bonds (distance) P-C4' energy: -98.951
flat angles C4'-P-C4' energy: -114.311
flat angles P-C4'-P energy: -75.795
tors. eta vs tors. theta energy: -160.551
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: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1734.345906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.345906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.345906 (E_RNA)
where:
Base-Base interactions energy: -1216.415
where: short stacking energy: -508.843
Base-Backbone interact. energy: -0.400
local terms energy: -517.531798
where:
bonds (distance) C4'-P energy: -90.480
bonds (distance) P-C4' energy: -91.600
flat angles C4'-P-C4' energy: -100.646
flat angles P-C4'-P energy: -82.213
tors. eta vs tors. theta energy: -152.592
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: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1629.753865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.753865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.753865 (E_RNA)
where:
Base-Base interactions energy: -1158.491
where: short stacking energy: -476.818
Base-Backbone interact. energy: -1.012
local terms energy: -470.250772
where:
bonds (distance) C4'-P energy: -76.678
bonds (distance) P-C4' energy: -93.618
flat angles C4'-P-C4' energy: -98.691
flat angles P-C4'-P energy: -71.094
tors. eta vs tors. theta energy: -130.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1651.015941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.015941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.015941 (E_RNA)
where:
Base-Base interactions energy: -1168.105
where: short stacking energy: -478.070
Base-Backbone interact. energy: 2.081
local terms energy: -484.992333
where:
bonds (distance) C4'-P energy: -90.830
bonds (distance) P-C4' energy: -82.781
flat angles C4'-P-C4' energy: -107.129
flat angles P-C4'-P energy: -64.575
tors. eta vs tors. theta energy: -139.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1547.324691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.324691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.324691 (E_RNA)
where:
Base-Base interactions energy: -1089.902
where: short stacking energy: -455.234
Base-Backbone interact. energy: 0.604
local terms energy: -458.027249
where:
bonds (distance) C4'-P energy: -79.834
bonds (distance) P-C4' energy: -87.465
flat angles C4'-P-C4' energy: -99.247
flat angles P-C4'-P energy: -61.090
tors. eta vs tors. theta energy: -130.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1442.852162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.852162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.852162 (E_RNA)
where:
Base-Base interactions energy: -1006.595
where: short stacking energy: -407.029
Base-Backbone interact. energy: -1.603
local terms energy: -434.653781
where:
bonds (distance) C4'-P energy: -85.579
bonds (distance) P-C4' energy: -69.863
flat angles C4'-P-C4' energy: -96.153
flat angles P-C4'-P energy: -60.400
tors. eta vs tors. theta energy: -122.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1256.641447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.641447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.641447 (E_RNA)
where:
Base-Base interactions energy: -858.546
where: short stacking energy: -354.309
Base-Backbone interact. energy: -1.204
local terms energy: -396.890767
where:
bonds (distance) C4'-P energy: -80.321
bonds (distance) P-C4' energy: -87.807
flat angles C4'-P-C4' energy: -85.178
flat angles P-C4'-P energy: -52.743
tors. eta vs tors. theta energy: -90.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1037.972171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.972171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.972171 (E_RNA)
where:
Base-Base interactions energy: -698.139
where: short stacking energy: -296.387
Base-Backbone interact. energy: -0.836
local terms energy: -338.997619
where:
bonds (distance) C4'-P energy: -55.987
bonds (distance) P-C4' energy: -92.489
flat angles C4'-P-C4' energy: -79.957
flat angles P-C4'-P energy: -55.347
tors. eta vs tors. theta energy: -55.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -711.288245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.288245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.288245 (E_RNA)
where:
Base-Base interactions energy: -443.363
where: short stacking energy: -219.328
Base-Backbone interact. energy: 0.356
local terms energy: -268.281973
where:
bonds (distance) C4'-P energy: -74.589
bonds (distance) P-C4' energy: -63.082
flat angles C4'-P-C4' energy: -54.174
flat angles P-C4'-P energy: -50.977
tors. eta vs tors. theta energy: -25.460
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: 8
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1861.191719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.191719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.191719 (E_RNA)
where:
Base-Base interactions energy: -1319.663
where: short stacking energy: -546.000
Base-Backbone interact. energy: -2.403
local terms energy: -539.125388
where:
bonds (distance) C4'-P energy: -91.278
bonds (distance) P-C4' energy: -102.080
flat angles C4'-P-C4' energy: -116.255
flat angles P-C4'-P energy: -75.843
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: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1832.673343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.673343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.673343 (E_RNA)
where:
Base-Base interactions energy: -1283.189
where: short stacking energy: -544.333
Base-Backbone interact. energy: 1.190
local terms energy: -550.674242
where:
bonds (distance) C4'-P energy: -89.584
bonds (distance) P-C4' energy: -103.765
flat angles C4'-P-C4' energy: -101.718
flat angles P-C4'-P energy: -86.451
tors. eta vs tors. theta energy: -169.156
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: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1743.985137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.985137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.985137 (E_RNA)
where:
Base-Base interactions energy: -1207.536
where: short stacking energy: -504.852
Base-Backbone interact. energy: -2.076
local terms energy: -534.373709
where:
bonds (distance) C4'-P energy: -105.296
bonds (distance) P-C4' energy: -103.055
flat angles C4'-P-C4' energy: -107.851
flat angles P-C4'-P energy: -76.535
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: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1666.144400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.144400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.144400 (E_RNA)
where:
Base-Base interactions energy: -1178.316
where: short stacking energy: -490.404
Base-Backbone interact. energy: 1.325
local terms energy: -489.152999
where:
bonds (distance) C4'-P energy: -96.553
bonds (distance) P-C4' energy: -80.180
flat angles C4'-P-C4' energy: -111.548
flat angles P-C4'-P energy: -71.675
tors. eta vs tors. theta energy: -129.197
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: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1608.475283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.475283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.475283 (E_RNA)
where:
Base-Base interactions energy: -1117.197
where: short stacking energy: -465.984
Base-Backbone interact. energy: -2.236
local terms energy: -489.042471
where:
bonds (distance) C4'-P energy: -95.007
bonds (distance) P-C4' energy: -85.230
flat angles C4'-P-C4' energy: -103.965
flat angles P-C4'-P energy: -71.022
tors. eta vs tors. theta energy: -133.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1551.825451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.825451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.825451 (E_RNA)
where:
Base-Base interactions energy: -1085.271
where: short stacking energy: -454.842
Base-Backbone interact. energy: -1.907
local terms energy: -464.648198
where:
bonds (distance) C4'-P energy: -64.645
bonds (distance) P-C4' energy: -98.395
flat angles C4'-P-C4' energy: -99.265
flat angles P-C4'-P energy: -74.376
tors. eta vs tors. theta energy: -127.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1431.234199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.234199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.234199 (E_RNA)
where:
Base-Base interactions energy: -1014.376
where: short stacking energy: -416.515
Base-Backbone interact. energy: -0.565
local terms energy: -416.293174
where:
bonds (distance) C4'-P energy: -72.549
bonds (distance) P-C4' energy: -85.175
flat angles C4'-P-C4' energy: -92.044
flat angles P-C4'-P energy: -59.537
tors. eta vs tors. theta energy: -106.988
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: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1263.873713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.873713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.873713 (E_RNA)
where:
Base-Base interactions energy: -867.870
where: short stacking energy: -369.700
Base-Backbone interact. energy: -1.497
local terms energy: -394.506440
where:
bonds (distance) C4'-P energy: -78.848
bonds (distance) P-C4' energy: -68.189
flat angles C4'-P-C4' energy: -82.047
flat angles P-C4'-P energy: -70.785
tors. eta vs tors. theta energy: -94.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1035.657957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.657957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.657957 (E_RNA)
where:
Base-Base interactions energy: -681.858
where: short stacking energy: -269.474
Base-Backbone interact. energy: 1.700
local terms energy: -355.499202
where:
bonds (distance) C4'-P energy: -85.313
bonds (distance) P-C4' energy: -78.084
flat angles C4'-P-C4' energy: -82.139
flat angles P-C4'-P energy: -50.755
tors. eta vs tors. theta energy: -59.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -731.071314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.071314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.071314 (E_RNA)
where:
Base-Base interactions energy: -442.213
where: short stacking energy: -206.202
Base-Backbone interact. energy: -2.033
local terms energy: -286.825795
where:
bonds (distance) C4'-P energy: -79.451
bonds (distance) P-C4' energy: -64.260
flat angles C4'-P-C4' energy: -83.932
flat angles P-C4'-P energy: -41.356
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1878.504856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.504856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.504856 (E_RNA)
where:
Base-Base interactions energy: -1325.251
where: short stacking energy: -546.295
Base-Backbone interact. energy: -3.713
local terms energy: -549.540385
where:
bonds (distance) C4'-P energy: -89.756
bonds (distance) P-C4' energy: -95.117
flat angles C4'-P-C4' energy: -119.143
flat angles P-C4'-P energy: -90.619
tors. eta vs tors. theta energy: -154.906
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: 176
Temperature: 0.950000
Total energy: -1825.835007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.835007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.835007 (E_RNA)
where:
Base-Base interactions energy: -1278.322
where: short stacking energy: -520.550
Base-Backbone interact. energy: -2.330
local terms energy: -545.182300
where:
bonds (distance) C4'-P energy: -101.283
bonds (distance) P-C4' energy: -93.126
flat angles C4'-P-C4' energy: -114.648
flat angles P-C4'-P energy: -86.385
tors. eta vs tors. theta energy: -149.740
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: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1728.248377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.248377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.248377 (E_RNA)
where:
Base-Base interactions energy: -1232.688
where: short stacking energy: -504.813
Base-Backbone interact. energy: -0.898
local terms energy: -494.661980
where:
bonds (distance) C4'-P energy: -84.577
bonds (distance) P-C4' energy: -99.325
flat angles C4'-P-C4' energy: -108.049
flat angles P-C4'-P energy: -60.354
tors. eta vs tors. theta energy: -142.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1715.658969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.658969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.658969 (E_RNA)
where:
Base-Base interactions energy: -1216.723
where: short stacking energy: -507.851
Base-Backbone interact. energy: -0.877
local terms energy: -498.058297
where:
bonds (distance) C4'-P energy: -86.073
bonds (distance) P-C4' energy: -103.161
flat angles C4'-P-C4' energy: -104.835
flat angles P-C4'-P energy: -71.468
tors. eta vs tors. theta energy: -132.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1583.436941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.436941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.436941 (E_RNA)
where:
Base-Base interactions energy: -1110.115
where: short stacking energy: -465.486
Base-Backbone interact. energy: -0.812
local terms energy: -472.510047
where:
bonds (distance) C4'-P energy: -82.562
bonds (distance) P-C4' energy: -92.704
flat angles C4'-P-C4' energy: -100.389
flat angles P-C4'-P energy: -70.618
tors. eta vs tors. theta energy: -126.238
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: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1566.533493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.533493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.533493 (E_RNA)
where:
Base-Base interactions energy: -1093.692
where: short stacking energy: -469.555
Base-Backbone interact. energy: -0.483
local terms energy: -472.358789
where:
bonds (distance) C4'-P energy: -83.219
bonds (distance) P-C4' energy: -72.573
flat angles C4'-P-C4' energy: -105.174
flat angles P-C4'-P energy: -76.891
tors. eta vs tors. theta energy: -134.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1396.466180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.466180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.466180 (E_RNA)
where:
Base-Base interactions energy: -969.133
where: short stacking energy: -398.131
Base-Backbone interact. energy: 0.763
local terms energy: -428.096346
where:
bonds (distance) C4'-P energy: -91.433
bonds (distance) P-C4' energy: -84.980
flat angles C4'-P-C4' energy: -87.449
flat angles P-C4'-P energy: -58.457
tors. eta vs tors. theta energy: -105.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1142.090632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.090632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.090632 (E_RNA)
where:
Base-Base interactions energy: -810.380
where: short stacking energy: -331.197
Base-Backbone interact. energy: -1.078
local terms energy: -330.632576
where:
bonds (distance) C4'-P energy: -72.462
bonds (distance) P-C4' energy: -74.183
flat angles C4'-P-C4' energy: -72.065
flat angles P-C4'-P energy: -52.969
tors. eta vs tors. theta energy: -58.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1094.931657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.931657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.931657 (E_RNA)
where:
Base-Base interactions energy: -741.801
where: short stacking energy: -302.401
Base-Backbone interact. energy: 2.351
local terms energy: -355.481511
where:
bonds (distance) C4'-P energy: -77.086
bonds (distance) P-C4' energy: -72.417
flat angles C4'-P-C4' energy: -88.753
flat angles P-C4'-P energy: -52.183
tors. eta vs tors. theta energy: -65.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -686.260223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.260223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.260223 (E_RNA)
where:
Base-Base interactions energy: -417.884
where: short stacking energy: -190.364
Base-Backbone interact. energy: 1.067
local terms energy: -269.443187
where:
bonds (distance) C4'-P energy: -68.762
bonds (distance) P-C4' energy: -73.360
flat angles C4'-P-C4' energy: -81.120
flat angles P-C4'-P energy: -40.625
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: 1, replica: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1863.764819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.764819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.764819 (E_RNA)
where:
Base-Base interactions energy: -1320.104
where: short stacking energy: -540.698
Base-Backbone interact. energy: 0.829
local terms energy: -544.489031
where:
bonds (distance) C4'-P energy: -103.272
bonds (distance) P-C4' energy: -92.639
flat angles C4'-P-C4' energy: -109.647
flat angles P-C4'-P energy: -80.705
tors. eta vs tors. theta energy: -158.226
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: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1819.471159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.471159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.471159 (E_RNA)
where:
Base-Base interactions energy: -1280.135
where: short stacking energy: -526.021
Base-Backbone interact. energy: -2.308
local terms energy: -537.027453
where:
bonds (distance) C4'-P energy: -90.469
bonds (distance) P-C4' energy: -103.961
flat angles C4'-P-C4' energy: -111.435
flat angles P-C4'-P energy: -72.806
tors. eta vs tors. theta energy: -158.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1751.351373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.351373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.351373 (E_RNA)
where:
Base-Base interactions energy: -1236.798
where: short stacking energy: -506.418
Base-Backbone interact. energy: -0.493
local terms energy: -514.060327
where:
bonds (distance) C4'-P energy: -86.583
bonds (distance) P-C4' energy: -95.459
flat angles C4'-P-C4' energy: -114.638
flat angles P-C4'-P energy: -71.403
tors. eta vs tors. theta energy: -145.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1729.440484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.440484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.440484 (E_RNA)
where:
Base-Base interactions energy: -1212.615
where: short stacking energy: -507.295
Base-Backbone interact. energy: -1.886
local terms energy: -514.938918
where:
bonds (distance) C4'-P energy: -91.928
bonds (distance) P-C4' energy: -95.794
flat angles C4'-P-C4' energy: -109.303
flat angles P-C4'-P energy: -70.641
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: 5, replica: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1604.887539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.887539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.887539 (E_RNA)
where:
Base-Base interactions energy: -1127.930
where: short stacking energy: -469.537
Base-Backbone interact. energy: -0.288
local terms energy: -476.669316
where:
bonds (distance) C4'-P energy: -81.430
bonds (distance) P-C4' energy: -86.191
flat angles C4'-P-C4' energy: -108.672
flat angles P-C4'-P energy: -58.615
tors. eta vs tors. theta energy: -141.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1567.679098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.679098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.679098 (E_RNA)
where:
Base-Base interactions energy: -1091.766
where: short stacking energy: -451.887
Base-Backbone interact. energy: -1.501
local terms energy: -474.412640
where:
bonds (distance) C4'-P energy: -77.841
bonds (distance) P-C4' energy: -89.534
flat angles C4'-P-C4' energy: -105.441
flat angles P-C4'-P energy: -64.109
tors. eta vs tors. theta energy: -137.487
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: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1430.157987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.157987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.157987 (E_RNA)
where:
Base-Base interactions energy: -984.555
where: short stacking energy: -417.140
Base-Backbone interact. energy: -0.262
local terms energy: -445.340631
where:
bonds (distance) C4'-P energy: -79.321
bonds (distance) P-C4' energy: -77.882
flat angles C4'-P-C4' energy: -102.704
flat angles P-C4'-P energy: -66.402
tors. eta vs tors. theta energy: -119.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1088.299983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.299983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.299983 (E_RNA)
where:
Base-Base interactions energy: -733.369
where: short stacking energy: -313.047
Base-Backbone interact. energy: -1.694
local terms energy: -353.237015
where:
bonds (distance) C4'-P energy: -65.762
bonds (distance) P-C4' energy: -72.788
flat angles C4'-P-C4' energy: -85.422
flat angles P-C4'-P energy: -51.542
tors. eta vs tors. theta energy: -77.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1059.857819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.857819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.857819 (E_RNA)
where:
Base-Base interactions energy: -745.576
where: short stacking energy: -321.689
Base-Backbone interact. energy: -1.335
local terms energy: -312.947018
where:
bonds (distance) C4'-P energy: -56.377
bonds (distance) P-C4' energy: -80.364
flat angles C4'-P-C4' energy: -67.429
flat angles P-C4'-P energy: -40.491
tors. eta vs tors. theta energy: -68.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -711.242214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.242214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.242214 (E_RNA)
where:
Base-Base interactions energy: -411.911
where: short stacking energy: -201.920
Base-Backbone interact. energy: 7.517
local terms energy: -306.848165
where:
bonds (distance) C4'-P energy: -77.852
bonds (distance) P-C4' energy: -78.555
flat angles C4'-P-C4' energy: -81.578
flat angles P-C4'-P energy: -48.010
tors. eta vs tors. theta energy: -20.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1874.273351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.273351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.273351 (E_RNA)
where:
Base-Base interactions energy: -1316.995
where: short stacking energy: -578.634
Base-Backbone interact. energy: -2.804
local terms energy: -554.474351
where:
bonds (distance) C4'-P energy: -88.919
bonds (distance) P-C4' energy: -97.711
flat angles C4'-P-C4' energy: -122.517
flat angles P-C4'-P energy: -73.864
tors. eta vs tors. theta energy: -171.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1838.731927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.731927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.731927 (E_RNA)
where:
Base-Base interactions energy: -1311.027
where: short stacking energy: -534.286
Base-Backbone interact. energy: -0.310
local terms energy: -527.395144
where:
bonds (distance) C4'-P energy: -90.403
bonds (distance) P-C4' energy: -95.020
flat angles C4'-P-C4' energy: -99.297
flat angles P-C4'-P energy: -79.245
tors. eta vs tors. theta energy: -163.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1735.643789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.643789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.643789 (E_RNA)
where:
Base-Base interactions energy: -1221.024
where: short stacking energy: -501.539
Base-Backbone interact. energy: -2.932
local terms energy: -511.688327
where:
bonds (distance) C4'-P energy: -95.497
bonds (distance) P-C4' energy: -99.228
flat angles C4'-P-C4' energy: -101.984
flat angles P-C4'-P energy: -75.547
tors. eta vs tors. theta energy: -139.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1708.362992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.362992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.362992 (E_RNA)
where:
Base-Base interactions energy: -1221.241
where: short stacking energy: -503.782
Base-Backbone interact. energy: -0.609
local terms energy: -486.513002
where:
bonds (distance) C4'-P energy: -78.226
bonds (distance) P-C4' energy: -93.054
flat angles C4'-P-C4' energy: -97.408
flat angles P-C4'-P energy: -72.798
tors. eta vs tors. theta energy: -145.027
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: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1598.437216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.437216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.437216 (E_RNA)
where:
Base-Base interactions energy: -1101.063
where: short stacking energy: -477.903
Base-Backbone interact. energy: -0.855
local terms energy: -496.519121
where:
bonds (distance) C4'-P energy: -102.027
bonds (distance) P-C4' energy: -82.696
flat angles C4'-P-C4' energy: -99.510
flat angles P-C4'-P energy: -73.707
tors. eta vs tors. theta energy: -138.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1520.339446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.339446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.339446 (E_RNA)
where:
Base-Base interactions energy: -1078.093
where: short stacking energy: -437.614
Base-Backbone interact. energy: 0.407
local terms energy: -442.653265
where:
bonds (distance) C4'-P energy: -72.863
bonds (distance) P-C4' energy: -76.921
flat angles C4'-P-C4' energy: -92.893
flat angles P-C4'-P energy: -82.436
tors. eta vs tors. theta energy: -117.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1407.901935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.901935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.901935 (E_RNA)
where:
Base-Base interactions energy: -966.588
where: short stacking energy: -384.697
Base-Backbone interact. energy: 0.571
local terms energy: -441.884993
where:
bonds (distance) C4'-P energy: -74.771
bonds (distance) P-C4' energy: -90.734
flat angles C4'-P-C4' energy: -95.162
flat angles P-C4'-P energy: -69.797
tors. eta vs tors. theta energy: -111.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1068.290750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.290750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.290750 (E_RNA)
where:
Base-Base interactions energy: -706.542
where: short stacking energy: -310.081
Base-Backbone interact. energy: 1.447
local terms energy: -363.195980
where:
bonds (distance) C4'-P energy: -79.117
bonds (distance) P-C4' energy: -72.527
flat angles C4'-P-C4' energy: -83.392
flat angles P-C4'-P energy: -57.168
tors. eta vs tors. theta energy: -70.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1040.590885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.590885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.590885 (E_RNA)
where:
Base-Base interactions energy: -690.212
where: short stacking energy: -300.325
Base-Backbone interact. energy: 3.105
local terms energy: -353.484142
where:
bonds (distance) C4'-P energy: -79.416
bonds (distance) P-C4' energy: -83.895
flat angles C4'-P-C4' energy: -76.424
flat angles P-C4'-P energy: -49.402
tors. eta vs tors. theta energy: -64.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -749.711052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.711052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.711052 (E_RNA)
where:
Base-Base interactions energy: -448.267
where: short stacking energy: -216.730
Base-Backbone interact. energy: 4.154
local terms energy: -305.598748
where:
bonds (distance) C4'-P energy: -69.837
bonds (distance) P-C4' energy: -71.840
flat angles C4'-P-C4' energy: -80.725
flat angles P-C4'-P energy: -52.064
tors. eta vs tors. theta energy: -31.133
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: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1848.599130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.599130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.599130 (E_RNA)
where:
Base-Base interactions energy: -1310.304
where: short stacking energy: -563.065
Base-Backbone interact. energy: 0.597
local terms energy: -538.891893
where:
bonds (distance) C4'-P energy: -87.540
bonds (distance) P-C4' energy: -87.900
flat angles C4'-P-C4' energy: -120.611
flat angles P-C4'-P energy: -83.354
tors. eta vs tors. theta energy: -159.488
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: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1835.176993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.176993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.176993 (E_RNA)
where:
Base-Base interactions energy: -1307.289
where: short stacking energy: -535.630
Base-Backbone interact. energy: 1.059
local terms energy: -528.947250
where:
bonds (distance) C4'-P energy: -94.896
bonds (distance) P-C4' energy: -97.117
flat angles C4'-P-C4' energy: -108.291
flat angles P-C4'-P energy: -68.292
tors. eta vs tors. theta energy: -160.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1745.867876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.867876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.867876 (E_RNA)
where:
Base-Base interactions energy: -1224.740
where: short stacking energy: -519.888
Base-Backbone interact. energy: -0.717
local terms energy: -520.410519
where:
bonds (distance) C4'-P energy: -87.848
bonds (distance) P-C4' energy: -103.457
flat angles C4'-P-C4' energy: -105.170
flat angles P-C4'-P energy: -82.314
tors. eta vs tors. theta energy: -141.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1709.687098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.687098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.687098 (E_RNA)
where:
Base-Base interactions energy: -1198.048
where: short stacking energy: -499.196
Base-Backbone interact. energy: -0.297
local terms energy: -511.342240
where:
bonds (distance) C4'-P energy: -81.276
bonds (distance) P-C4' energy: -93.420
flat angles C4'-P-C4' energy: -106.461
flat angles P-C4'-P energy: -85.073
tors. eta vs tors. theta energy: -145.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1623.327062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.327062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.327062 (E_RNA)
where:
Base-Base interactions energy: -1155.235
where: short stacking energy: -498.395
Base-Backbone interact. energy: -0.394
local terms energy: -467.697530
where:
bonds (distance) C4'-P energy: -68.466
bonds (distance) P-C4' energy: -79.229
flat angles C4'-P-C4' energy: -107.914
flat angles P-C4'-P energy: -73.509
tors. eta vs tors. theta energy: -138.581
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: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1552.829351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.829351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.829351 (E_RNA)
where:
Base-Base interactions energy: -1092.513
where: short stacking energy: -451.521
Base-Backbone interact. energy: -0.997
local terms energy: -459.319308
where:
bonds (distance) C4'-P energy: -79.272
bonds (distance) P-C4' energy: -88.109
flat angles C4'-P-C4' energy: -99.972
flat angles P-C4'-P energy: -65.124
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: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1422.420060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.420060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.420060 (E_RNA)
where:
Base-Base interactions energy: -1002.189
where: short stacking energy: -408.726
Base-Backbone interact. energy: -1.671
local terms energy: -418.560089
where:
bonds (distance) C4'-P energy: -84.417
bonds (distance) P-C4' energy: -87.137
flat angles C4'-P-C4' energy: -88.534
flat angles P-C4'-P energy: -61.633
tors. eta vs tors. theta energy: -96.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1150.116146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.116146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.116146 (E_RNA)
where:
Base-Base interactions energy: -763.348
where: short stacking energy: -348.439
Base-Backbone interact. energy: 1.693
local terms energy: -388.461138
where:
bonds (distance) C4'-P energy: -81.574
bonds (distance) P-C4' energy: -82.766
flat angles C4'-P-C4' energy: -96.182
flat angles P-C4'-P energy: -47.632
tors. eta vs tors. theta energy: -80.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1008.954472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.954472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.954472 (E_RNA)
where:
Base-Base interactions energy: -671.267
where: short stacking energy: -310.295
Base-Backbone interact. energy: -1.824
local terms energy: -335.863429
where:
bonds (distance) C4'-P energy: -71.216
bonds (distance) P-C4' energy: -93.775
flat angles C4'-P-C4' energy: -62.473
flat angles P-C4'-P energy: -48.753
tors. eta vs tors. theta energy: -59.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -707.335135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.335135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.335135 (E_RNA)
where:
Base-Base interactions energy: -397.046
where: short stacking energy: -190.269
Base-Backbone interact. energy: -0.406
local terms energy: -309.882522
where:
bonds (distance) C4'-P energy: -70.202
bonds (distance) P-C4' energy: -89.276
flat angles C4'-P-C4' energy: -87.854
flat angles P-C4'-P energy: -50.154
tors. eta vs tors. theta energy: -12.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1853.467675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.467675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.467675 (E_RNA)
where:
Base-Base interactions energy: -1293.201
where: short stacking energy: -519.688
Base-Backbone interact. energy: 0.435
local terms energy: -560.701227
where:
bonds (distance) C4'-P energy: -89.808
bonds (distance) P-C4' energy: -105.529
flat angles C4'-P-C4' energy: -114.706
flat angles P-C4'-P energy: -92.032
tors. eta vs tors. theta energy: -158.627
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: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1826.483235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.483235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.483235 (E_RNA)
where:
Base-Base interactions energy: -1278.303
where: short stacking energy: -528.797
Base-Backbone interact. energy: -2.359
local terms energy: -545.821678
where:
bonds (distance) C4'-P energy: -95.821
bonds (distance) P-C4' energy: -105.081
flat angles C4'-P-C4' energy: -109.837
flat angles P-C4'-P energy: -85.490
tors. eta vs tors. theta energy: -149.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1754.561635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.561635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.561635 (E_RNA)
where:
Base-Base interactions energy: -1250.413
where: short stacking energy: -517.762
Base-Backbone interact. energy: -1.347
local terms energy: -502.800895
where:
bonds (distance) C4'-P energy: -92.422
bonds (distance) P-C4' energy: -89.743
flat angles C4'-P-C4' energy: -100.649
flat angles P-C4'-P energy: -73.485
tors. eta vs tors. theta energy: -146.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1742.925420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.925420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.925420 (E_RNA)
where:
Base-Base interactions energy: -1220.742
where: short stacking energy: -485.833
Base-Backbone interact. energy: -2.898
local terms energy: -519.285902
where:
bonds (distance) C4'-P energy: -84.042
bonds (distance) P-C4' energy: -105.553
flat angles C4'-P-C4' energy: -99.521
flat angles P-C4'-P energy: -80.638
tors. eta vs tors. theta energy: -149.532
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: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1582.315166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.315166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.315166 (E_RNA)
where:
Base-Base interactions energy: -1103.406
where: short stacking energy: -476.738
Base-Backbone interact. energy: -1.248
local terms energy: -477.661128
where:
bonds (distance) C4'-P energy: -89.829
bonds (distance) P-C4' energy: -85.417
flat angles C4'-P-C4' energy: -104.422
flat angles P-C4'-P energy: -61.841
tors. eta vs tors. theta energy: -136.152
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: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1574.633550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.633550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.633550 (E_RNA)
where:
Base-Base interactions energy: -1078.130
where: short stacking energy: -454.332
Base-Backbone interact. energy: -0.827
local terms energy: -495.676730
where:
bonds (distance) C4'-P energy: -96.533
bonds (distance) P-C4' energy: -88.699
flat angles C4'-P-C4' energy: -106.924
flat angles P-C4'-P energy: -71.630
tors. eta vs tors. theta energy: -131.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1445.781833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.781833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.781833 (E_RNA)
where:
Base-Base interactions energy: -1024.303
where: short stacking energy: -424.080
Base-Backbone interact. energy: -2.056
local terms energy: -419.422500
where:
bonds (distance) C4'-P energy: -67.760
bonds (distance) P-C4' energy: -94.081
flat angles C4'-P-C4' energy: -82.172
flat angles P-C4'-P energy: -55.853
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: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1190.691521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.691521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.691521 (E_RNA)
where:
Base-Base interactions energy: -813.088
where: short stacking energy: -341.573
Base-Backbone interact. energy: -1.489
local terms energy: -376.114964
where:
bonds (distance) C4'-P energy: -80.565
bonds (distance) P-C4' energy: -80.314
flat angles C4'-P-C4' energy: -86.136
flat angles P-C4'-P energy: -51.069
tors. eta vs tors. theta energy: -78.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1079.806140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.806140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.806140 (E_RNA)
where:
Base-Base interactions energy: -707.686
where: short stacking energy: -312.307
Base-Backbone interact. energy: 0.138
local terms energy: -372.258415
where:
bonds (distance) C4'-P energy: -76.579
bonds (distance) P-C4' energy: -81.371
flat angles C4'-P-C4' energy: -82.531
flat angles P-C4'-P energy: -60.190
tors. eta vs tors. theta energy: -71.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -746.002025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.002025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.002025 (E_RNA)
where:
Base-Base interactions energy: -425.342
where: short stacking energy: -215.480
Base-Backbone interact. energy: -1.868
local terms energy: -318.792281
where:
bonds (distance) C4'-P energy: -73.048
bonds (distance) P-C4' energy: -91.084
flat angles C4'-P-C4' energy: -76.743
flat angles P-C4'-P energy: -43.013
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: 1, replica: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1850.952638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.952638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.952638 (E_RNA)
where:
Base-Base interactions energy: -1296.758
where: short stacking energy: -526.264
Base-Backbone interact. energy: -0.322
local terms energy: -553.872943
where:
bonds (distance) C4'-P energy: -98.367
bonds (distance) P-C4' energy: -102.243
flat angles C4'-P-C4' energy: -114.198
flat angles P-C4'-P energy: -74.109
tors. eta vs tors. theta energy: -164.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1815.144934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.144934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.144934 (E_RNA)
where:
Base-Base interactions energy: -1261.838
where: short stacking energy: -523.545
Base-Backbone interact. energy: -0.680
local terms energy: -552.627086
where:
bonds (distance) C4'-P energy: -92.923
bonds (distance) P-C4' energy: -98.443
flat angles C4'-P-C4' energy: -118.069
flat angles P-C4'-P energy: -82.022
tors. eta vs tors. theta energy: -161.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1749.345746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.345746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.345746 (E_RNA)
where:
Base-Base interactions energy: -1235.049
where: short stacking energy: -507.330
Base-Backbone interact. energy: -2.872
local terms energy: -511.425173
where:
bonds (distance) C4'-P energy: -85.662
bonds (distance) P-C4' energy: -88.523
flat angles C4'-P-C4' energy: -108.706
flat angles P-C4'-P energy: -79.703
tors. eta vs tors. theta energy: -148.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1697.123127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.123127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.123127 (E_RNA)
where:
Base-Base interactions energy: -1201.323
where: short stacking energy: -493.462
Base-Backbone interact. energy: -1.368
local terms energy: -494.432046
where:
bonds (distance) C4'-P energy: -77.568
bonds (distance) P-C4' energy: -93.661
flat angles C4'-P-C4' energy: -100.588
flat angles P-C4'-P energy: -84.181
tors. eta vs tors. theta energy: -138.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1613.630864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.630864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.630864 (E_RNA)
where:
Base-Base interactions energy: -1150.140
where: short stacking energy: -475.855
Base-Backbone interact. energy: 2.389
local terms energy: -465.879970
where:
bonds (distance) C4'-P energy: -72.297
bonds (distance) P-C4' energy: -81.427
flat angles C4'-P-C4' energy: -98.312
flat angles P-C4'-P energy: -67.306
tors. eta vs tors. theta energy: -146.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1589.965500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.965500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.965500 (E_RNA)
where:
Base-Base interactions energy: -1120.618
where: short stacking energy: -475.107
Base-Backbone interact. energy: -1.254
local terms energy: -468.093495
where:
bonds (distance) C4'-P energy: -78.827
bonds (distance) P-C4' energy: -81.868
flat angles C4'-P-C4' energy: -105.769
flat angles P-C4'-P energy: -73.268
tors. eta vs tors. theta energy: -128.361
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: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1413.884982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.884982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.884982 (E_RNA)
where:
Base-Base interactions energy: -972.340
where: short stacking energy: -402.629
Base-Backbone interact. energy: -0.157
local terms energy: -441.388443
where:
bonds (distance) C4'-P energy: -82.813
bonds (distance) P-C4' energy: -84.378
flat angles C4'-P-C4' energy: -100.551
flat angles P-C4'-P energy: -62.770
tors. eta vs tors. theta energy: -110.876
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: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1170.217041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.217041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.217041 (E_RNA)
where:
Base-Base interactions energy: -790.108
where: short stacking energy: -317.271
Base-Backbone interact. energy: 0.199
local terms energy: -380.307484
where:
bonds (distance) C4'-P energy: -84.941
bonds (distance) P-C4' energy: -75.847
flat angles C4'-P-C4' energy: -96.704
flat angles P-C4'-P energy: -54.615
tors. eta vs tors. theta energy: -68.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1076.364376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.364376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.364376 (E_RNA)
where:
Base-Base interactions energy: -724.631
where: short stacking energy: -322.376
Base-Backbone interact. energy: -0.117
local terms energy: -351.616225
where:
bonds (distance) C4'-P energy: -59.639
bonds (distance) P-C4' energy: -87.143
flat angles C4'-P-C4' energy: -85.138
flat angles P-C4'-P energy: -58.609
tors. eta vs tors. theta energy: -61.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -743.002119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.002119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.002119 (E_RNA)
where:
Base-Base interactions energy: -476.382
where: short stacking energy: -235.678
Base-Backbone interact. energy: 4.026
local terms energy: -270.645935
where:
bonds (distance) C4'-P energy: -73.526
bonds (distance) P-C4' energy: -66.592
flat angles C4'-P-C4' energy: -55.040
flat angles P-C4'-P energy: -54.722
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1865.756712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.756712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.756712 (E_RNA)
where:
Base-Base interactions energy: -1297.339
where: short stacking energy: -530.254
Base-Backbone interact. energy: -1.981
local terms energy: -566.436663
where:
bonds (distance) C4'-P energy: -104.381
bonds (distance) P-C4' energy: -114.349
flat angles C4'-P-C4' energy: -110.394
flat angles P-C4'-P energy: -72.881
tors. eta vs tors. theta energy: -164.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1819.748810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.748810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.748810 (E_RNA)
where:
Base-Base interactions energy: -1282.110
where: short stacking energy: -538.393
Base-Backbone interact. energy: -2.329
local terms energy: -535.310172
where:
bonds (distance) C4'-P energy: -97.317
bonds (distance) P-C4' energy: -86.015
flat angles C4'-P-C4' energy: -116.905
flat angles P-C4'-P energy: -66.932
tors. eta vs tors. theta energy: -168.141
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: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1770.040188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.040188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.040188 (E_RNA)
where:
Base-Base interactions energy: -1257.172
where: short stacking energy: -514.592
Base-Backbone interact. energy: 0.237
local terms energy: -513.104870
where:
bonds (distance) C4'-P energy: -85.864
bonds (distance) P-C4' energy: -98.094
flat angles C4'-P-C4' energy: -104.678
flat angles P-C4'-P energy: -79.105
tors. eta vs tors. theta energy: -145.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1695.383967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.383967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.383967 (E_RNA)
where:
Base-Base interactions energy: -1211.128
where: short stacking energy: -517.398
Base-Backbone interact. energy: 0.072
local terms energy: -484.327708
where:
bonds (distance) C4'-P energy: -65.027
bonds (distance) P-C4' energy: -92.823
flat angles C4'-P-C4' energy: -114.183
flat angles P-C4'-P energy: -72.252
tors. eta vs tors. theta energy: -140.043
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: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1598.805298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.805298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.805298 (E_RNA)
where:
Base-Base interactions energy: -1120.281
where: short stacking energy: -473.464
Base-Backbone interact. energy: -3.371
local terms energy: -475.152851
where:
bonds (distance) C4'-P energy: -84.371
bonds (distance) P-C4' energy: -90.666
flat angles C4'-P-C4' energy: -100.945
flat angles P-C4'-P energy: -64.461
tors. eta vs tors. theta energy: -134.709
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: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1560.424534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.424534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.424534 (E_RNA)
where:
Base-Base interactions energy: -1099.809
where: short stacking energy: -452.147
Base-Backbone interact. energy: -0.891
local terms energy: -459.724979
where:
bonds (distance) C4'-P energy: -86.599
bonds (distance) P-C4' energy: -74.615
flat angles C4'-P-C4' energy: -99.526
flat angles P-C4'-P energy: -67.826
tors. eta vs tors. theta energy: -131.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1440.113883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.113883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.113883 (E_RNA)
where:
Base-Base interactions energy: -1016.377
where: short stacking energy: -405.818
Base-Backbone interact. energy: -0.979
local terms energy: -422.758435
where:
bonds (distance) C4'-P energy: -84.791
bonds (distance) P-C4' energy: -79.881
flat angles C4'-P-C4' energy: -89.980
flat angles P-C4'-P energy: -60.423
tors. eta vs tors. theta energy: -107.683
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: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1225.831400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.831400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.831400 (E_RNA)
where:
Base-Base interactions energy: -831.473
where: short stacking energy: -364.533
Base-Backbone interact. energy: -0.704
local terms energy: -393.653824
where:
bonds (distance) C4'-P energy: -81.242
bonds (distance) P-C4' energy: -86.420
flat angles C4'-P-C4' energy: -74.968
flat angles P-C4'-P energy: -48.936
tors. eta vs tors. theta energy: -102.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1072.738449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.738449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.738449 (E_RNA)
where:
Base-Base interactions energy: -713.019
where: short stacking energy: -290.531
Base-Backbone interact. energy: -2.187
local terms energy: -357.532409
where:
bonds (distance) C4'-P energy: -75.050
bonds (distance) P-C4' energy: -74.608
flat angles C4'-P-C4' energy: -95.405
flat angles P-C4'-P energy: -55.522
tors. eta vs tors. theta energy: -56.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -722.329074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.329074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.329074 (E_RNA)
where:
Base-Base interactions energy: -429.102
where: short stacking energy: -206.116
Base-Backbone interact. energy: 3.443
local terms energy: -296.669742
where:
bonds (distance) C4'-P energy: -83.355
bonds (distance) P-C4' energy: -75.039
flat angles C4'-P-C4' energy: -76.495
flat angles P-C4'-P energy: -39.033
tors. eta vs tors. theta energy: -22.747
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: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1868.002873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.002873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.002873 (E_RNA)
where:
Base-Base interactions energy: -1318.950
where: short stacking energy: -538.321
Base-Backbone interact. energy: -0.713
local terms energy: -548.339676
where:
bonds (distance) C4'-P energy: -88.132
bonds (distance) P-C4' energy: -94.692
flat angles C4'-P-C4' energy: -123.659
flat angles P-C4'-P energy: -81.279
tors. eta vs tors. theta energy: -160.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1834.903699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.903699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.903699 (E_RNA)
where:
Base-Base interactions energy: -1287.381
where: short stacking energy: -544.814
Base-Backbone interact. energy: -2.130
local terms energy: -545.393031
where:
bonds (distance) C4'-P energy: -91.891
bonds (distance) P-C4' energy: -93.627
flat angles C4'-P-C4' energy: -115.772
flat angles P-C4'-P energy: -74.485
tors. eta vs tors. theta energy: -169.618
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: 183
Temperature: 1.000000
Total energy: -1741.118624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.118624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.118624 (E_RNA)
where:
Base-Base interactions energy: -1236.232
where: short stacking energy: -512.528
Base-Backbone interact. energy: -1.174
local terms energy: -503.712645
where:
bonds (distance) C4'-P energy: -93.434
bonds (distance) P-C4' energy: -90.618
flat angles C4'-P-C4' energy: -102.102
flat angles P-C4'-P energy: -70.306
tors. eta vs tors. theta energy: -147.253
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: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1713.883489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.883489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.883489 (E_RNA)
where:
Base-Base interactions energy: -1203.997
where: short stacking energy: -503.530
Base-Backbone interact. energy: -0.803
local terms energy: -509.083544
where:
bonds (distance) C4'-P energy: -102.290
bonds (distance) P-C4' energy: -89.438
flat angles C4'-P-C4' energy: -99.261
flat angles P-C4'-P energy: -73.874
tors. eta vs tors. theta energy: -144.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1569.996795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.996795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.996795 (E_RNA)
where:
Base-Base interactions energy: -1103.162
where: short stacking energy: -468.661
Base-Backbone interact. energy: -0.993
local terms energy: -465.842255
where:
bonds (distance) C4'-P energy: -87.259
bonds (distance) P-C4' energy: -87.338
flat angles C4'-P-C4' energy: -104.527
flat angles P-C4'-P energy: -57.809
tors. eta vs tors. theta energy: -128.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1562.485282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.485282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.485282 (E_RNA)
where:
Base-Base interactions energy: -1107.403
where: short stacking energy: -447.734
Base-Backbone interact. energy: -0.273
local terms energy: -454.809597
where:
bonds (distance) C4'-P energy: -82.044
bonds (distance) P-C4' energy: -84.726
flat angles C4'-P-C4' energy: -104.304
flat angles P-C4'-P energy: -62.741
tors. eta vs tors. theta energy: -120.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1480.093626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.093626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.093626 (E_RNA)
where:
Base-Base interactions energy: -1021.941
where: short stacking energy: -439.450
Base-Backbone interact. energy: -1.043
local terms energy: -457.109746
where:
bonds (distance) C4'-P energy: -82.249
bonds (distance) P-C4' energy: -85.564
flat angles C4'-P-C4' energy: -101.371
flat angles P-C4'-P energy: -72.098
tors. eta vs tors. theta energy: -115.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1217.687386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.687386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.687386 (E_RNA)
where:
Base-Base interactions energy: -828.780
where: short stacking energy: -348.034
Base-Backbone interact. energy: -1.719
local terms energy: -387.188712
where:
bonds (distance) C4'-P energy: -74.406
bonds (distance) P-C4' energy: -59.656
flat angles C4'-P-C4' energy: -99.342
flat angles P-C4'-P energy: -58.969
tors. eta vs tors. theta energy: -94.815
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: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1074.850593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.850593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.850593 (E_RNA)
where:
Base-Base interactions energy: -715.208
where: short stacking energy: -314.074
Base-Backbone interact. energy: 0.834
local terms energy: -360.476863
where:
bonds (distance) C4'-P energy: -90.728
bonds (distance) P-C4' energy: -73.827
flat angles C4'-P-C4' energy: -73.822
flat angles P-C4'-P energy: -56.226
tors. eta vs tors. theta energy: -65.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -745.048709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.048709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.048709 (E_RNA)
where:
Base-Base interactions energy: -440.020
where: short stacking energy: -209.009
Base-Backbone interact. energy: 0.550
local terms energy: -305.578672
where:
bonds (distance) C4'-P energy: -80.822
bonds (distance) P-C4' energy: -81.550
flat angles C4'-P-C4' energy: -73.420
flat angles P-C4'-P energy: -45.229
tors. eta vs tors. theta energy: -24.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1851.755141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.755141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.755141 (E_RNA)
where:
Base-Base interactions energy: -1294.579
where: short stacking energy: -526.225
Base-Backbone interact. energy: 1.124
local terms energy: -558.300274
where:
bonds (distance) C4'-P energy: -106.664
bonds (distance) P-C4' energy: -99.753
flat angles C4'-P-C4' energy: -115.577
flat angles P-C4'-P energy: -79.165
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: 2, replica: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1818.660258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.660258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.660258 (E_RNA)
where:
Base-Base interactions energy: -1277.265
where: short stacking energy: -538.649
Base-Backbone interact. energy: -2.381
local terms energy: -539.014863
where:
bonds (distance) C4'-P energy: -91.403
bonds (distance) P-C4' energy: -101.044
flat angles C4'-P-C4' energy: -110.807
flat angles P-C4'-P energy: -80.385
tors. eta vs tors. theta energy: -155.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1735.935433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.935433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.935433 (E_RNA)
where:
Base-Base interactions energy: -1225.585
where: short stacking energy: -524.062
Base-Backbone interact. energy: -2.009
local terms energy: -508.341020
where:
bonds (distance) C4'-P energy: -98.502
bonds (distance) P-C4' energy: -75.605
flat angles C4'-P-C4' energy: -109.574
flat angles P-C4'-P energy: -76.522
tors. eta vs tors. theta energy: -148.138
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: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1679.764282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.764282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.764282 (E_RNA)
where:
Base-Base interactions energy: -1185.711
where: short stacking energy: -477.562
Base-Backbone interact. energy: -4.402
local terms energy: -489.650977
where:
bonds (distance) C4'-P energy: -79.944
bonds (distance) P-C4' energy: -99.396
flat angles C4'-P-C4' energy: -101.079
flat angles P-C4'-P energy: -77.004
tors. eta vs tors. theta energy: -132.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1595.919363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.919363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.919363 (E_RNA)
where:
Base-Base interactions energy: -1117.834
where: short stacking energy: -476.322
Base-Backbone interact. energy: 0.844
local terms energy: -478.929384
where:
bonds (distance) C4'-P energy: -93.849
bonds (distance) P-C4' energy: -90.943
flat angles C4'-P-C4' energy: -104.994
flat angles P-C4'-P energy: -64.117
tors. eta vs tors. theta energy: -125.026
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: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1525.292483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.292483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.292483 (E_RNA)
where:
Base-Base interactions energy: -1062.523
where: short stacking energy: -453.599
Base-Backbone interact. energy: -1.750
local terms energy: -461.019388
where:
bonds (distance) C4'-P energy: -90.983
bonds (distance) P-C4' energy: -79.670
flat angles C4'-P-C4' energy: -98.234
flat angles P-C4'-P energy: -75.779
tors. eta vs tors. theta energy: -116.353
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: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1444.734054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.734054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.734054 (E_RNA)
where:
Base-Base interactions energy: -1010.734
where: short stacking energy: -415.235
Base-Backbone interact. energy: 0.289
local terms energy: -434.288828
where:
bonds (distance) C4'-P energy: -79.858
bonds (distance) P-C4' energy: -90.359
flat angles C4'-P-C4' energy: -92.892
flat angles P-C4'-P energy: -59.028
tors. eta vs tors. theta energy: -112.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1199.309564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.309564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.309564 (E_RNA)
where:
Base-Base interactions energy: -802.290
where: short stacking energy: -330.520
Base-Backbone interact. energy: 0.620
local terms energy: -397.639292
where:
bonds (distance) C4'-P energy: -68.659
bonds (distance) P-C4' energy: -86.928
flat angles C4'-P-C4' energy: -84.752
flat angles P-C4'-P energy: -71.020
tors. eta vs tors. theta energy: -86.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1041.751579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.751579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.751579 (E_RNA)
where:
Base-Base interactions energy: -684.447
where: short stacking energy: -306.288
Base-Backbone interact. energy: -0.408
local terms energy: -356.895917
where:
bonds (distance) C4'-P energy: -66.975
bonds (distance) P-C4' energy: -75.244
flat angles C4'-P-C4' energy: -79.618
flat angles P-C4'-P energy: -55.979
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: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -745.446204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.446204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.446204 (E_RNA)
where:
Base-Base interactions energy: -461.748
where: short stacking energy: -220.584
Base-Backbone interact. energy: -1.068
local terms energy: -282.630679
where:
bonds (distance) C4'-P energy: -75.761
bonds (distance) P-C4' energy: -79.980
flat angles C4'-P-C4' energy: -74.839
flat angles P-C4'-P energy: -37.046
tors. eta vs tors. theta energy: -15.005
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: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1853.769061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.769061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.769061 (E_RNA)
where:
Base-Base interactions energy: -1318.469
where: short stacking energy: -554.135
Base-Backbone interact. energy: 0.462
local terms energy: -535.762119
where:
bonds (distance) C4'-P energy: -87.801
bonds (distance) P-C4' energy: -99.450
flat angles C4'-P-C4' energy: -105.186
flat angles P-C4'-P energy: -79.639
tors. eta vs tors. theta energy: -163.685
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: 185
Temperature: 0.950000
Total energy: -1803.921867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.921867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.921867 (E_RNA)
where:
Base-Base interactions energy: -1259.285
where: short stacking energy: -531.976
Base-Backbone interact. energy: -0.661
local terms energy: -543.976381
where:
bonds (distance) C4'-P energy: -98.961
bonds (distance) P-C4' energy: -98.435
flat angles C4'-P-C4' energy: -115.833
flat angles P-C4'-P energy: -72.877
tors. eta vs tors. theta energy: -157.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1727.427873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.427873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.427873 (E_RNA)
where:
Base-Base interactions energy: -1230.784
where: short stacking energy: -522.787
Base-Backbone interact. energy: -2.896
local terms energy: -493.747693
where:
bonds (distance) C4'-P energy: -68.180
bonds (distance) P-C4' energy: -87.023
flat angles C4'-P-C4' energy: -111.199
flat angles P-C4'-P energy: -75.851
tors. eta vs tors. theta energy: -151.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1703.042416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.042416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.042416 (E_RNA)
where:
Base-Base interactions energy: -1198.780
where: short stacking energy: -491.781
Base-Backbone interact. energy: -2.697
local terms energy: -501.565727
where:
bonds (distance) C4'-P energy: -89.988
bonds (distance) P-C4' energy: -91.433
flat angles C4'-P-C4' energy: -103.656
flat angles P-C4'-P energy: -75.331
tors. eta vs tors. theta energy: -141.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1574.889356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.889356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.889356 (E_RNA)
where:
Base-Base interactions energy: -1106.941
where: short stacking energy: -487.402
Base-Backbone interact. energy: 3.328
local terms energy: -471.276842
where:
bonds (distance) C4'-P energy: -86.092
bonds (distance) P-C4' energy: -83.472
flat angles C4'-P-C4' energy: -103.972
flat angles P-C4'-P energy: -63.555
tors. eta vs tors. theta energy: -134.186
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: 185
Temperature: 1.150000
Total energy: -1559.213142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.213142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.213142 (E_RNA)
where:
Base-Base interactions energy: -1088.866
where: short stacking energy: -449.838
Base-Backbone interact. energy: -0.689
local terms energy: -469.658147
where:
bonds (distance) C4'-P energy: -85.581
bonds (distance) P-C4' energy: -85.044
flat angles C4'-P-C4' energy: -110.776
flat angles P-C4'-P energy: -60.747
tors. eta vs tors. theta energy: -127.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1423.641607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.641607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.641607 (E_RNA)
where:
Base-Base interactions energy: -995.084
where: short stacking energy: -415.565
Base-Backbone interact. energy: -0.545
local terms energy: -428.012301
where:
bonds (distance) C4'-P energy: -76.043
bonds (distance) P-C4' energy: -89.822
flat angles C4'-P-C4' energy: -90.596
flat angles P-C4'-P energy: -57.959
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: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1212.892919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.892919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.892919 (E_RNA)
where:
Base-Base interactions energy: -812.510
where: short stacking energy: -347.808
Base-Backbone interact. energy: -1.671
local terms energy: -398.711904
where:
bonds (distance) C4'-P energy: -90.059
bonds (distance) P-C4' energy: -74.012
flat angles C4'-P-C4' energy: -88.485
flat angles P-C4'-P energy: -60.726
tors. eta vs tors. theta energy: -85.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1076.863592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.863592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.863592 (E_RNA)
where:
Base-Base interactions energy: -768.287
where: short stacking energy: -322.516
Base-Backbone interact. energy: 0.609
local terms energy: -309.186509
where:
bonds (distance) C4'-P energy: -79.534
bonds (distance) P-C4' energy: -57.405
flat angles C4'-P-C4' energy: -75.704
flat angles P-C4'-P energy: -34.522
tors. eta vs tors. theta energy: -62.022
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: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -746.086719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.086719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.086719 (E_RNA)
where:
Base-Base interactions energy: -436.973
where: short stacking energy: -194.092
Base-Backbone interact. energy: 4.122
local terms energy: -313.235503
where:
bonds (distance) C4'-P energy: -75.738
bonds (distance) P-C4' energy: -87.991
flat angles C4'-P-C4' energy: -72.582
flat angles P-C4'-P energy: -42.999
tors. eta vs tors. theta energy: -33.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1830.118702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.118702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.118702 (E_RNA)
where:
Base-Base interactions energy: -1278.493
where: short stacking energy: -539.911
Base-Backbone interact. energy: -2.975
local terms energy: -548.650912
where:
bonds (distance) C4'-P energy: -91.742
bonds (distance) P-C4' energy: -97.524
flat angles C4'-P-C4' energy: -124.728
flat angles P-C4'-P energy: -73.376
tors. eta vs tors. theta energy: -161.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1847.807469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.807469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.807469 (E_RNA)
where:
Base-Base interactions energy: -1294.054
where: short stacking energy: -536.968
Base-Backbone interact. energy: -3.771
local terms energy: -549.982942
where:
bonds (distance) C4'-P energy: -104.475
bonds (distance) P-C4' energy: -92.719
flat angles C4'-P-C4' energy: -110.669
flat angles P-C4'-P energy: -79.069
tors. eta vs tors. theta energy: -163.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1728.143720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.143720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.143720 (E_RNA)
where:
Base-Base interactions energy: -1211.667
where: short stacking energy: -501.577
Base-Backbone interact. energy: -2.870
local terms energy: -513.606382
where:
bonds (distance) C4'-P energy: -91.843
bonds (distance) P-C4' energy: -90.962
flat angles C4'-P-C4' energy: -108.301
flat angles P-C4'-P energy: -80.115
tors. eta vs tors. theta energy: -142.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1710.473987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.473987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.473987 (E_RNA)
where:
Base-Base interactions energy: -1200.705
where: short stacking energy: -506.657
Base-Backbone interact. energy: -1.656
local terms energy: -508.113030
where:
bonds (distance) C4'-P energy: -85.801
bonds (distance) P-C4' energy: -100.753
flat angles C4'-P-C4' energy: -104.613
flat angles P-C4'-P energy: -66.090
tors. eta vs tors. theta energy: -150.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1613.769990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.769990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.769990 (E_RNA)
where:
Base-Base interactions energy: -1133.211
where: short stacking energy: -473.734
Base-Backbone interact. energy: 0.332
local terms energy: -480.890315
where:
bonds (distance) C4'-P energy: -89.996
bonds (distance) P-C4' energy: -84.898
flat angles C4'-P-C4' energy: -91.639
flat angles P-C4'-P energy: -77.346
tors. eta vs tors. theta energy: -137.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1526.640970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.640970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.640970 (E_RNA)
where:
Base-Base interactions energy: -1065.565
where: short stacking energy: -432.102
Base-Backbone interact. energy: -1.335
local terms energy: -459.741480
where:
bonds (distance) C4'-P energy: -78.577
bonds (distance) P-C4' energy: -84.110
flat angles C4'-P-C4' energy: -100.187
flat angles P-C4'-P energy: -69.902
tors. eta vs tors. theta energy: -126.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1428.585660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.585660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.585660 (E_RNA)
where:
Base-Base interactions energy: -1001.521
where: short stacking energy: -407.376
Base-Backbone interact. energy: 2.735
local terms energy: -429.799696
where:
bonds (distance) C4'-P energy: -76.258
bonds (distance) P-C4' energy: -76.656
flat angles C4'-P-C4' energy: -103.230
flat angles P-C4'-P energy: -65.790
tors. eta vs tors. theta energy: -107.865
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: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1249.693672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.693672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.693672 (E_RNA)
where:
Base-Base interactions energy: -860.077
where: short stacking energy: -348.558
Base-Backbone interact. energy: -1.006
local terms energy: -388.610944
where:
bonds (distance) C4'-P energy: -76.425
bonds (distance) P-C4' energy: -75.590
flat angles C4'-P-C4' energy: -72.799
flat angles P-C4'-P energy: -55.481
tors. eta vs tors. theta energy: -108.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1011.487777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.487777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.487777 (E_RNA)
where:
Base-Base interactions energy: -655.120
where: short stacking energy: -283.168
Base-Backbone interact. energy: -0.145
local terms energy: -356.222052
where:
bonds (distance) C4'-P energy: -79.978
bonds (distance) P-C4' energy: -97.292
flat angles C4'-P-C4' energy: -79.401
flat angles P-C4'-P energy: -47.131
tors. eta vs tors. theta energy: -52.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -689.471187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.471187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.471187 (E_RNA)
where:
Base-Base interactions energy: -385.056
where: short stacking energy: -194.126
Base-Backbone interact. energy: -0.939
local terms energy: -303.475849
where:
bonds (distance) C4'-P energy: -77.384
bonds (distance) P-C4' energy: -80.404
flat angles C4'-P-C4' energy: -79.392
flat angles P-C4'-P energy: -39.918
tors. eta vs tors. theta energy: -26.378
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: 187
Temperature: 0.900000
Total energy: -1826.866272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.866272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.866272 (E_RNA)
where:
Base-Base interactions energy: -1276.616
where: short stacking energy: -557.925
Base-Backbone interact. energy: -1.813
local terms energy: -548.437052
where:
bonds (distance) C4'-P energy: -84.477
bonds (distance) P-C4' energy: -105.883
flat angles C4'-P-C4' energy: -122.245
flat angles P-C4'-P energy: -74.707
tors. eta vs tors. theta energy: -161.125
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: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1824.035908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.035908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.035908 (E_RNA)
where:
Base-Base interactions energy: -1291.749
where: short stacking energy: -530.089
Base-Backbone interact. energy: -1.953
local terms energy: -530.334583
where:
bonds (distance) C4'-P energy: -98.777
bonds (distance) P-C4' energy: -96.249
flat angles C4'-P-C4' energy: -108.297
flat angles P-C4'-P energy: -75.283
tors. eta vs tors. theta energy: -151.728
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: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1751.142789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.142789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.142789 (E_RNA)
where:
Base-Base interactions energy: -1232.097
where: short stacking energy: -515.526
Base-Backbone interact. energy: -0.686
local terms energy: -518.360074
where:
bonds (distance) C4'-P energy: -91.819
bonds (distance) P-C4' energy: -92.182
flat angles C4'-P-C4' energy: -113.084
flat angles P-C4'-P energy: -72.100
tors. eta vs tors. theta energy: -149.176
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: 4, replica: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1682.081931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.081931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.081931 (E_RNA)
where:
Base-Base interactions energy: -1183.159
where: short stacking energy: -480.534
Base-Backbone interact. energy: 0.988
local terms energy: -499.911480
where:
bonds (distance) C4'-P energy: -93.808
bonds (distance) P-C4' energy: -89.350
flat angles C4'-P-C4' energy: -100.436
flat angles P-C4'-P energy: -78.142
tors. eta vs tors. theta energy: -138.174
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: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1609.965411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.965411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.965411 (E_RNA)
where:
Base-Base interactions energy: -1129.192
where: short stacking energy: -463.272
Base-Backbone interact. energy: 0.924
local terms energy: -481.697525
where:
bonds (distance) C4'-P energy: -90.531
bonds (distance) P-C4' energy: -105.679
flat angles C4'-P-C4' energy: -99.923
flat angles P-C4'-P energy: -55.616
tors. eta vs tors. theta energy: -129.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1548.488710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.488710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.488710 (E_RNA)
where:
Base-Base interactions energy: -1074.761
where: short stacking energy: -457.101
Base-Backbone interact. energy: -0.093
local terms energy: -473.634637
where:
bonds (distance) C4'-P energy: -84.278
bonds (distance) P-C4' energy: -87.972
flat angles C4'-P-C4' energy: -86.853
flat angles P-C4'-P energy: -74.193
tors. eta vs tors. theta energy: -140.338
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: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1446.764752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.764752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.764752 (E_RNA)
where:
Base-Base interactions energy: -1013.552
where: short stacking energy: -410.402
Base-Backbone interact. energy: -0.442
local terms energy: -432.771190
where:
bonds (distance) C4'-P energy: -69.021
bonds (distance) P-C4' energy: -80.127
flat angles C4'-P-C4' energy: -93.841
flat angles P-C4'-P energy: -73.746
tors. eta vs tors. theta energy: -116.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1261.928117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.928117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.928117 (E_RNA)
where:
Base-Base interactions energy: -882.768
where: short stacking energy: -385.867
Base-Backbone interact. energy: 6.399
local terms energy: -385.559113
where:
bonds (distance) C4'-P energy: -64.287
bonds (distance) P-C4' energy: -72.246
flat angles C4'-P-C4' energy: -87.781
flat angles P-C4'-P energy: -60.707
tors. eta vs tors. theta energy: -100.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1060.786728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.786728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.786728 (E_RNA)
where:
Base-Base interactions energy: -697.661
where: short stacking energy: -314.139
Base-Backbone interact. energy: -1.557
local terms energy: -361.568575
where:
bonds (distance) C4'-P energy: -74.894
bonds (distance) P-C4' energy: -63.429
flat angles C4'-P-C4' energy: -86.205
flat angles P-C4'-P energy: -65.444
tors. eta vs tors. theta energy: -71.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -725.817282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.817282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.817282 (E_RNA)
where:
Base-Base interactions energy: -453.936
where: short stacking energy: -206.669
Base-Backbone interact. energy: -1.745
local terms energy: -270.136547
where:
bonds (distance) C4'-P energy: -74.432
bonds (distance) P-C4' energy: -83.367
flat angles C4'-P-C4' energy: -59.929
flat angles P-C4'-P energy: -31.820
tors. eta vs tors. theta energy: -20.589
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: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1843.893069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.893069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.893069 (E_RNA)
where:
Base-Base interactions energy: -1296.381
where: short stacking energy: -543.108
Base-Backbone interact. energy: -1.289
local terms energy: -546.222822
where:
bonds (distance) C4'-P energy: -96.639
bonds (distance) P-C4' energy: -94.728
flat angles C4'-P-C4' energy: -117.855
flat angles P-C4'-P energy: -77.892
tors. eta vs tors. theta energy: -159.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1853.324838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.324838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.324838 (E_RNA)
where:
Base-Base interactions energy: -1320.738
where: short stacking energy: -541.064
Base-Backbone interact. energy: -1.457
local terms energy: -531.129928
where:
bonds (distance) C4'-P energy: -93.768
bonds (distance) P-C4' energy: -86.981
flat angles C4'-P-C4' energy: -113.493
flat angles P-C4'-P energy: -78.846
tors. eta vs tors. theta energy: -158.041
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: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1721.792239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.792239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.792239 (E_RNA)
where:
Base-Base interactions energy: -1215.669
where: short stacking energy: -506.714
Base-Backbone interact. energy: -0.377
local terms energy: -505.745972
where:
bonds (distance) C4'-P energy: -88.478
bonds (distance) P-C4' energy: -88.892
flat angles C4'-P-C4' energy: -111.152
flat angles P-C4'-P energy: -79.292
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: 4, replica: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1694.393608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.393608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.393608 (E_RNA)
where:
Base-Base interactions energy: -1190.260
where: short stacking energy: -492.915
Base-Backbone interact. energy: -0.604
local terms energy: -503.529328
where:
bonds (distance) C4'-P energy: -94.827
bonds (distance) P-C4' energy: -102.617
flat angles C4'-P-C4' energy: -102.335
flat angles P-C4'-P energy: -71.754
tors. eta vs tors. theta energy: -131.997
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: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1587.234517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.234517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.234517 (E_RNA)
where:
Base-Base interactions energy: -1105.317
where: short stacking energy: -470.183
Base-Backbone interact. energy: -0.834
local terms energy: -481.083305
where:
bonds (distance) C4'-P energy: -67.747
bonds (distance) P-C4' energy: -93.360
flat angles C4'-P-C4' energy: -108.671
flat angles P-C4'-P energy: -75.666
tors. eta vs tors. theta energy: -135.639
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: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1585.378333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.378333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.378333 (E_RNA)
where:
Base-Base interactions energy: -1115.550
where: short stacking energy: -462.834
Base-Backbone interact. energy: -1.459
local terms energy: -468.368623
where:
bonds (distance) C4'-P energy: -83.178
bonds (distance) P-C4' energy: -86.692
flat angles C4'-P-C4' energy: -95.509
flat angles P-C4'-P energy: -71.414
tors. eta vs tors. theta energy: -131.576
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: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1474.584234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.584234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.584234 (E_RNA)
where:
Base-Base interactions energy: -1039.152
where: short stacking energy: -445.353
Base-Backbone interact. energy: 4.396
local terms energy: -439.827747
where:
bonds (distance) C4'-P energy: -81.715
bonds (distance) P-C4' energy: -80.859
flat angles C4'-P-C4' energy: -96.594
flat angles P-C4'-P energy: -51.257
tors. eta vs tors. theta energy: -129.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1200.469281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.469281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.469281 (E_RNA)
where:
Base-Base interactions energy: -821.584
where: short stacking energy: -364.817
Base-Backbone interact. energy: 0.273
local terms energy: -379.158737
where:
bonds (distance) C4'-P energy: -88.707
bonds (distance) P-C4' energy: -73.979
flat angles C4'-P-C4' energy: -78.767
flat angles P-C4'-P energy: -50.494
tors. eta vs tors. theta energy: -87.211
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: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1064.243055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.243055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.243055 (E_RNA)
where:
Base-Base interactions energy: -729.472
where: short stacking energy: -306.903
Base-Backbone interact. energy: -0.988
local terms energy: -333.782734
where:
bonds (distance) C4'-P energy: -60.551
bonds (distance) P-C4' energy: -69.813
flat angles C4'-P-C4' energy: -96.082
flat angles P-C4'-P energy: -45.568
tors. eta vs tors. theta energy: -61.769
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: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -702.177589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.177589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.177589 (E_RNA)
where:
Base-Base interactions energy: -416.958
where: short stacking energy: -203.948
Base-Backbone interact. energy: -0.928
local terms energy: -284.291871
where:
bonds (distance) C4'-P energy: -92.109
bonds (distance) P-C4' energy: -68.320
flat angles C4'-P-C4' energy: -62.960
flat angles P-C4'-P energy: -40.913
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1836.057344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.057344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.057344 (E_RNA)
where:
Base-Base interactions energy: -1298.589
where: short stacking energy: -542.365
Base-Backbone interact. energy: -0.863
local terms energy: -536.604901
where:
bonds (distance) C4'-P energy: -96.047
bonds (distance) P-C4' energy: -102.246
flat angles C4'-P-C4' energy: -105.002
flat angles P-C4'-P energy: -76.123
tors. eta vs tors. theta energy: -157.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1852.453601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.453601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.453601 (E_RNA)
where:
Base-Base interactions energy: -1319.383
where: short stacking energy: -542.450
Base-Backbone interact. energy: -0.826
local terms energy: -532.244325
where:
bonds (distance) C4'-P energy: -85.743
bonds (distance) P-C4' energy: -103.268
flat angles C4'-P-C4' energy: -103.653
flat angles P-C4'-P energy: -81.870
tors. eta vs tors. theta energy: -157.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1700.998107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.998107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.998107 (E_RNA)
where:
Base-Base interactions energy: -1195.193
where: short stacking energy: -498.903
Base-Backbone interact. energy: -1.575
local terms energy: -504.230746
where:
bonds (distance) C4'-P energy: -90.215
bonds (distance) P-C4' energy: -101.629
flat angles C4'-P-C4' energy: -107.556
flat angles P-C4'-P energy: -65.675
tors. eta vs tors. theta energy: -139.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1657.816035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.816035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.816035 (E_RNA)
where:
Base-Base interactions energy: -1161.494
where: short stacking energy: -479.511
Base-Backbone interact. energy: -2.343
local terms energy: -493.978826
where:
bonds (distance) C4'-P energy: -79.553
bonds (distance) P-C4' energy: -107.100
flat angles C4'-P-C4' energy: -99.652
flat angles P-C4'-P energy: -76.260
tors. eta vs tors. theta energy: -131.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1624.964449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.964449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.964449 (E_RNA)
where:
Base-Base interactions energy: -1148.760
where: short stacking energy: -481.878
Base-Backbone interact. energy: -1.870
local terms energy: -474.333727
where:
bonds (distance) C4'-P energy: -73.465
bonds (distance) P-C4' energy: -88.332
flat angles C4'-P-C4' energy: -93.641
flat angles P-C4'-P energy: -71.432
tors. eta vs tors. theta energy: -147.463
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: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1577.893662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.893662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.893662 (E_RNA)
where:
Base-Base interactions energy: -1150.612
where: short stacking energy: -468.635
Base-Backbone interact. energy: 3.175
local terms energy: -430.456456
where:
bonds (distance) C4'-P energy: -74.249
bonds (distance) P-C4' energy: -75.771
flat angles C4'-P-C4' energy: -87.625
flat angles P-C4'-P energy: -56.056
tors. eta vs tors. theta energy: -136.755
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: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1424.783042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.783042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.783042 (E_RNA)
where:
Base-Base interactions energy: -1004.038
where: short stacking energy: -414.735
Base-Backbone interact. energy: 4.460
local terms energy: -425.205187
where:
bonds (distance) C4'-P energy: -93.726
bonds (distance) P-C4' energy: -75.775
flat angles C4'-P-C4' energy: -82.106
flat angles P-C4'-P energy: -55.609
tors. eta vs tors. theta energy: -117.988
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: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1214.803727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.803727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.803727 (E_RNA)
where:
Base-Base interactions energy: -829.137
where: short stacking energy: -348.116
Base-Backbone interact. energy: -0.802
local terms energy: -384.864607
where:
bonds (distance) C4'-P energy: -77.120
bonds (distance) P-C4' energy: -70.655
flat angles C4'-P-C4' energy: -105.043
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: -74.712
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: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1024.934022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.934022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.934022 (E_RNA)
where:
Base-Base interactions energy: -678.174
where: short stacking energy: -297.789
Base-Backbone interact. energy: -0.760
local terms energy: -346.000553
where:
bonds (distance) C4'-P energy: -66.605
bonds (distance) P-C4' energy: -78.530
flat angles C4'-P-C4' energy: -77.513
flat angles P-C4'-P energy: -54.495
tors. eta vs tors. theta energy: -68.857
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: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -685.573904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.573904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.573904 (E_RNA)
where:
Base-Base interactions energy: -395.368
where: short stacking energy: -196.050
Base-Backbone interact. energy: -1.537
local terms energy: -288.668934
where:
bonds (distance) C4'-P energy: -91.615
bonds (distance) P-C4' energy: -67.297
flat angles C4'-P-C4' energy: -80.787
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1851.125575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.125575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.125575 (E_RNA)
where:
Base-Base interactions energy: -1293.494
where: short stacking energy: -542.716
Base-Backbone interact. energy: -2.226
local terms energy: -555.405616
where:
bonds (distance) C4'-P energy: -98.262
bonds (distance) P-C4' energy: -99.797
flat angles C4'-P-C4' energy: -116.042
flat angles P-C4'-P energy: -81.896
tors. eta vs tors. theta energy: -159.409
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: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1798.507244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.507244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.507244 (E_RNA)
where:
Base-Base interactions energy: -1279.877
where: short stacking energy: -536.940
Base-Backbone interact. energy: -0.670
local terms energy: -517.960299
where:
bonds (distance) C4'-P energy: -85.606
bonds (distance) P-C4' energy: -91.162
flat angles C4'-P-C4' energy: -117.184
flat angles P-C4'-P energy: -70.185
tors. eta vs tors. theta energy: -153.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1744.464579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.464579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.464579 (E_RNA)
where:
Base-Base interactions energy: -1230.739
where: short stacking energy: -512.082
Base-Backbone interact. energy: -1.544
local terms energy: -512.181512
where:
bonds (distance) C4'-P energy: -87.351
bonds (distance) P-C4' energy: -98.696
flat angles C4'-P-C4' energy: -98.861
flat angles P-C4'-P energy: -77.401
tors. eta vs tors. theta energy: -149.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1673.151349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.151349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.151349 (E_RNA)
where:
Base-Base interactions energy: -1168.202
where: short stacking energy: -491.414
Base-Backbone interact. energy: -1.683
local terms energy: -503.266199
where:
bonds (distance) C4'-P energy: -91.932
bonds (distance) P-C4' energy: -83.522
flat angles C4'-P-C4' energy: -116.618
flat angles P-C4'-P energy: -70.032
tors. eta vs tors. theta energy: -141.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1619.600039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.600039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.600039 (E_RNA)
where:
Base-Base interactions energy: -1141.067
where: short stacking energy: -459.852
Base-Backbone interact. energy: 0.161
local terms energy: -478.693977
where:
bonds (distance) C4'-P energy: -82.907
bonds (distance) P-C4' energy: -79.671
flat angles C4'-P-C4' energy: -99.802
flat angles P-C4'-P energy: -80.904
tors. eta vs tors. theta energy: -135.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1548.113031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.113031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.113031 (E_RNA)
where:
Base-Base interactions energy: -1073.216
where: short stacking energy: -444.831
Base-Backbone interact. energy: -0.867
local terms energy: -474.029366
where:
bonds (distance) C4'-P energy: -83.549
bonds (distance) P-C4' energy: -86.939
flat angles C4'-P-C4' energy: -106.925
flat angles P-C4'-P energy: -75.686
tors. eta vs tors. theta energy: -120.930
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: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1399.208010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.208010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.208010 (E_RNA)
where:
Base-Base interactions energy: -990.136
where: short stacking energy: -415.847
Base-Backbone interact. energy: -2.021
local terms energy: -407.050599
where:
bonds (distance) C4'-P energy: -76.728
bonds (distance) P-C4' energy: -80.659
flat angles C4'-P-C4' energy: -86.121
flat angles P-C4'-P energy: -56.263
tors. eta vs tors. theta energy: -107.280
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: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1173.632873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.632873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.632873 (E_RNA)
where:
Base-Base interactions energy: -796.944
where: short stacking energy: -334.686
Base-Backbone interact. energy: -1.619
local terms energy: -375.070183
where:
bonds (distance) C4'-P energy: -80.004
bonds (distance) P-C4' energy: -81.678
flat angles C4'-P-C4' energy: -84.362
flat angles P-C4'-P energy: -52.017
tors. eta vs tors. theta energy: -77.010
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: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -989.485610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.485610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.485610 (E_RNA)
where:
Base-Base interactions energy: -630.554
where: short stacking energy: -292.054
Base-Backbone interact. energy: -2.891
local terms energy: -356.040942
where:
bonds (distance) C4'-P energy: -85.761
bonds (distance) P-C4' energy: -97.578
flat angles C4'-P-C4' energy: -70.023
flat angles P-C4'-P energy: -45.559
tors. eta vs tors. theta energy: -57.119
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: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -740.336901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.336901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.336901 (E_RNA)
where:
Base-Base interactions energy: -422.410
where: short stacking energy: -208.687
Base-Backbone interact. energy: -3.124
local terms energy: -314.802662
where:
bonds (distance) C4'-P energy: -76.669
bonds (distance) P-C4' energy: -78.901
flat angles C4'-P-C4' energy: -87.871
flat angles P-C4'-P energy: -41.569
tors. eta vs tors. theta energy: -29.792
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: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1860.090363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.090363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.090363 (E_RNA)
where:
Base-Base interactions energy: -1313.935
where: short stacking energy: -558.884
Base-Backbone interact. energy: -1.828
local terms energy: -544.328068
where:
bonds (distance) C4'-P energy: -93.139
bonds (distance) P-C4' energy: -96.647
flat angles C4'-P-C4' energy: -111.474
flat angles P-C4'-P energy: -81.903
tors. eta vs tors. theta energy: -161.166
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: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1798.949821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.949821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.949821 (E_RNA)
where:
Base-Base interactions energy: -1257.463
where: short stacking energy: -535.621
Base-Backbone interact. energy: -0.973
local terms energy: -540.513240
where:
bonds (distance) C4'-P energy: -94.442
bonds (distance) P-C4' energy: -96.629
flat angles C4'-P-C4' energy: -115.603
flat angles P-C4'-P energy: -78.227
tors. eta vs tors. theta energy: -155.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1738.442760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.442760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.442760 (E_RNA)
where:
Base-Base interactions energy: -1221.498
where: short stacking energy: -499.811
Base-Backbone interact. energy: -1.967
local terms energy: -514.977824
where:
bonds (distance) C4'-P energy: -90.837
bonds (distance) P-C4' energy: -99.271
flat angles C4'-P-C4' energy: -104.547
flat angles P-C4'-P energy: -73.488
tors. eta vs tors. theta energy: -146.835
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: 4, replica: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1705.943612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.943612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.943612 (E_RNA)
where:
Base-Base interactions energy: -1180.096
where: short stacking energy: -503.736
Base-Backbone interact. energy: -2.248
local terms energy: -523.599310
where:
bonds (distance) C4'-P energy: -93.615
bonds (distance) P-C4' energy: -95.745
flat angles C4'-P-C4' energy: -115.140
flat angles P-C4'-P energy: -69.093
tors. eta vs tors. theta energy: -150.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1640.647328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.647328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.647328 (E_RNA)
where:
Base-Base interactions energy: -1168.992
where: short stacking energy: -476.689
Base-Backbone interact. energy: -0.766
local terms energy: -470.888824
where:
bonds (distance) C4'-P energy: -79.980
bonds (distance) P-C4' energy: -86.846
flat angles C4'-P-C4' energy: -100.038
flat angles P-C4'-P energy: -66.113
tors. eta vs tors. theta energy: -137.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1548.081031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.081031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.081031 (E_RNA)
where:
Base-Base interactions energy: -1093.168
where: short stacking energy: -448.682
Base-Backbone interact. energy: -1.595
local terms energy: -453.318843
where:
bonds (distance) C4'-P energy: -82.959
bonds (distance) P-C4' energy: -72.530
flat angles C4'-P-C4' energy: -98.977
flat angles P-C4'-P energy: -75.764
tors. eta vs tors. theta energy: -123.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1400.402836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.402836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.402836 (E_RNA)
where:
Base-Base interactions energy: -989.469
where: short stacking energy: -407.658
Base-Backbone interact. energy: -1.726
local terms energy: -409.207461
where:
bonds (distance) C4'-P energy: -68.635
bonds (distance) P-C4' energy: -73.450
flat angles C4'-P-C4' energy: -96.049
flat angles P-C4'-P energy: -73.468
tors. eta vs tors. theta energy: -97.606
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: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1109.691816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.691816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.691816 (E_RNA)
where:
Base-Base interactions energy: -732.170
where: short stacking energy: -318.563
Base-Backbone interact. energy: -2.607
local terms energy: -374.914469
where:
bonds (distance) C4'-P energy: -93.483
bonds (distance) P-C4' energy: -83.659
flat angles C4'-P-C4' energy: -81.954
flat angles P-C4'-P energy: -56.101
tors. eta vs tors. theta energy: -59.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1060.719174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.719174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.719174 (E_RNA)
where:
Base-Base interactions energy: -700.263
where: short stacking energy: -284.515
Base-Backbone interact. energy: -2.297
local terms energy: -358.158942
where:
bonds (distance) C4'-P energy: -85.912
bonds (distance) P-C4' energy: -78.902
flat angles C4'-P-C4' energy: -91.519
flat angles P-C4'-P energy: -49.027
tors. eta vs tors. theta energy: -52.799
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: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -729.741659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.741659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.741659 (E_RNA)
where:
Base-Base interactions energy: -414.212
where: short stacking energy: -209.689
Base-Backbone interact. energy: -1.742
local terms energy: -313.788028
where:
bonds (distance) C4'-P energy: -71.953
bonds (distance) P-C4' energy: -83.840
flat angles C4'-P-C4' energy: -82.984
flat angles P-C4'-P energy: -49.081
tors. eta vs tors. theta energy: -25.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1845.415501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.415501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.415501 (E_RNA)
where:
Base-Base interactions energy: -1302.500
where: short stacking energy: -547.858
Base-Backbone interact. energy: -2.695
local terms energy: -540.220467
where:
bonds (distance) C4'-P energy: -98.220
bonds (distance) P-C4' energy: -97.762
flat angles C4'-P-C4' energy: -114.846
flat angles P-C4'-P energy: -72.115
tors. eta vs tors. theta energy: -157.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1815.803423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.803423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.803423 (E_RNA)
where:
Base-Base interactions energy: -1262.570
where: short stacking energy: -525.691
Base-Backbone interact. energy: -1.366
local terms energy: -551.867081
where:
bonds (distance) C4'-P energy: -111.409
bonds (distance) P-C4' energy: -98.828
flat angles C4'-P-C4' energy: -108.249
flat angles P-C4'-P energy: -72.521
tors. eta vs tors. theta energy: -160.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1737.967902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.967902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.967902 (E_RNA)
where:
Base-Base interactions energy: -1224.678
where: short stacking energy: -503.649
Base-Backbone interact. energy: -3.158
local terms energy: -510.131671
where:
bonds (distance) C4'-P energy: -96.705
bonds (distance) P-C4' energy: -86.722
flat angles C4'-P-C4' energy: -106.075
flat angles P-C4'-P energy: -75.334
tors. eta vs tors. theta energy: -145.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1709.547800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.547800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.547800 (E_RNA)
where:
Base-Base interactions energy: -1190.513
where: short stacking energy: -509.523
Base-Backbone interact. energy: 1.537
local terms energy: -520.571525
where:
bonds (distance) C4'-P energy: -92.965
bonds (distance) P-C4' energy: -90.953
flat angles C4'-P-C4' energy: -110.969
flat angles P-C4'-P energy: -73.657
tors. eta vs tors. theta energy: -152.026
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: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1675.409652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.409652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.409652 (E_RNA)
where:
Base-Base interactions energy: -1191.898
where: short stacking energy: -501.891
Base-Backbone interact. energy: -3.073
local terms energy: -480.438115
where:
bonds (distance) C4'-P energy: -87.332
bonds (distance) P-C4' energy: -64.138
flat angles C4'-P-C4' energy: -113.146
flat angles P-C4'-P energy: -66.351
tors. eta vs tors. theta energy: -149.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1549.777007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.777007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.777007 (E_RNA)
where:
Base-Base interactions energy: -1082.218
where: short stacking energy: -448.711
Base-Backbone interact. energy: -0.852
local terms energy: -466.707869
where:
bonds (distance) C4'-P energy: -78.528
bonds (distance) P-C4' energy: -84.109
flat angles C4'-P-C4' energy: -101.746
flat angles P-C4'-P energy: -72.285
tors. eta vs tors. theta energy: -130.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1447.642976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.642976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.642976 (E_RNA)
where:
Base-Base interactions energy: -995.327
where: short stacking energy: -451.346
Base-Backbone interact. energy: -0.243
local terms energy: -452.072703
where:
bonds (distance) C4'-P energy: -84.338
bonds (distance) P-C4' energy: -82.476
flat angles C4'-P-C4' energy: -98.846
flat angles P-C4'-P energy: -51.106
tors. eta vs tors. theta energy: -135.307
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: 8, replica: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1168.864985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.864985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.864985 (E_RNA)
where:
Base-Base interactions energy: -784.346
where: short stacking energy: -336.994
Base-Backbone interact. energy: -0.829
local terms energy: -383.690429
where:
bonds (distance) C4'-P energy: -63.900
bonds (distance) P-C4' energy: -95.730
flat angles C4'-P-C4' energy: -83.652
flat angles P-C4'-P energy: -68.216
tors. eta vs tors. theta energy: -72.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1031.393387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.393387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.393387 (E_RNA)
where:
Base-Base interactions energy: -683.042
where: short stacking energy: -293.119
Base-Backbone interact. energy: -0.110
local terms energy: -348.241809
where:
bonds (distance) C4'-P energy: -69.753
bonds (distance) P-C4' energy: -88.170
flat angles C4'-P-C4' energy: -72.176
flat angles P-C4'-P energy: -55.042
tors. eta vs tors. theta energy: -63.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -702.896714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.896714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.896714 (E_RNA)
where:
Base-Base interactions energy: -416.028
where: short stacking energy: -205.059
Base-Backbone interact. energy: -2.421
local terms energy: -284.447685
where:
bonds (distance) C4'-P energy: -73.621
bonds (distance) P-C4' energy: -89.712
flat angles C4'-P-C4' energy: -64.610
flat angles P-C4'-P energy: -34.304
tors. eta vs tors. theta energy: -22.201
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: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1850.285241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.285241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.285241 (E_RNA)
where:
Base-Base interactions energy: -1315.548
where: short stacking energy: -545.976
Base-Backbone interact. energy: -1.841
local terms energy: -532.896433
where:
bonds (distance) C4'-P energy: -78.502
bonds (distance) P-C4' energy: -99.268
flat angles C4'-P-C4' energy: -112.835
flat angles P-C4'-P energy: -81.828
tors. eta vs tors. theta energy: -160.463
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: 2, replica: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1794.782181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.782181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.782181 (E_RNA)
where:
Base-Base interactions energy: -1254.523
where: short stacking energy: -525.209
Base-Backbone interact. energy: -2.019
local terms energy: -538.240089
where:
bonds (distance) C4'-P energy: -98.071
bonds (distance) P-C4' energy: -87.964
flat angles C4'-P-C4' energy: -105.234
flat angles P-C4'-P energy: -82.060
tors. eta vs tors. theta energy: -164.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1741.385910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.385910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.385910 (E_RNA)
where:
Base-Base interactions energy: -1216.534
where: short stacking energy: -505.008
Base-Backbone interact. energy: -2.464
local terms energy: -522.388314
where:
bonds (distance) C4'-P energy: -85.777
bonds (distance) P-C4' energy: -98.292
flat angles C4'-P-C4' energy: -116.349
flat angles P-C4'-P energy: -81.046
tors. eta vs tors. theta energy: -140.925
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: 193
Temperature: 1.050000
Total energy: -1690.858083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.858083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.858083 (E_RNA)
where:
Base-Base interactions energy: -1185.474
where: short stacking energy: -495.503
Base-Backbone interact. energy: -2.240
local terms energy: -503.143736
where:
bonds (distance) C4'-P energy: -88.874
bonds (distance) P-C4' energy: -95.033
flat angles C4'-P-C4' energy: -102.824
flat angles P-C4'-P energy: -66.410
tors. eta vs tors. theta energy: -150.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1631.948242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.948242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.948242 (E_RNA)
where:
Base-Base interactions energy: -1155.865
where: short stacking energy: -471.897
Base-Backbone interact. energy: 1.280
local terms energy: -477.362756
where:
bonds (distance) C4'-P energy: -91.119
bonds (distance) P-C4' energy: -86.128
flat angles C4'-P-C4' energy: -111.583
flat angles P-C4'-P energy: -59.601
tors. eta vs tors. theta energy: -128.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1516.746781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.746781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.746781 (E_RNA)
where:
Base-Base interactions energy: -1073.216
where: short stacking energy: -419.310
Base-Backbone interact. energy: -0.327
local terms energy: -443.203099
where:
bonds (distance) C4'-P energy: -68.092
bonds (distance) P-C4' energy: -85.276
flat angles C4'-P-C4' energy: -108.448
flat angles P-C4'-P energy: -64.524
tors. eta vs tors. theta energy: -116.863
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: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1432.271637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.271637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.271637 (E_RNA)
where:
Base-Base interactions energy: -1011.778
where: short stacking energy: -418.471
Base-Backbone interact. energy: -0.954
local terms energy: -419.539705
where:
bonds (distance) C4'-P energy: -73.334
bonds (distance) P-C4' energy: -76.078
flat angles C4'-P-C4' energy: -94.129
flat angles P-C4'-P energy: -50.055
tors. eta vs tors. theta energy: -125.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1133.934840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.934840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.934840 (E_RNA)
where:
Base-Base interactions energy: -769.369
where: short stacking energy: -326.981
Base-Backbone interact. energy: -1.178
local terms energy: -363.387570
where:
bonds (distance) C4'-P energy: -62.074
bonds (distance) P-C4' energy: -74.846
flat angles C4'-P-C4' energy: -89.158
flat angles P-C4'-P energy: -59.904
tors. eta vs tors. theta energy: -77.406
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: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1205.034473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.034473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.034473 (E_RNA)
where:
Base-Base interactions energy: -804.200
where: short stacking energy: -342.688
Base-Backbone interact. energy: 3.323
local terms energy: -404.157613
where:
bonds (distance) C4'-P energy: -79.813
bonds (distance) P-C4' energy: -80.042
flat angles C4'-P-C4' energy: -100.444
flat angles P-C4'-P energy: -71.107
tors. eta vs tors. theta energy: -72.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -688.116211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.116211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.116211 (E_RNA)
where:
Base-Base interactions energy: -399.349
where: short stacking energy: -199.325
Base-Backbone interact. energy: 3.535
local terms energy: -292.302339
where:
bonds (distance) C4'-P energy: -79.563
bonds (distance) P-C4' energy: -84.743
flat angles C4'-P-C4' energy: -73.982
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -23.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1840.241415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.241415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.241415 (E_RNA)
where:
Base-Base interactions energy: -1303.784
where: short stacking energy: -534.514
Base-Backbone interact. energy: -0.531
local terms energy: -535.926456
where:
bonds (distance) C4'-P energy: -93.305
bonds (distance) P-C4' energy: -95.793
flat angles C4'-P-C4' energy: -112.340
flat angles P-C4'-P energy: -79.289
tors. eta vs tors. theta energy: -155.200
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: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1812.006866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.006866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.006866 (E_RNA)
where:
Base-Base interactions energy: -1305.060
where: short stacking energy: -523.316
Base-Backbone interact. energy: 1.809
local terms energy: -508.755260
where:
bonds (distance) C4'-P energy: -88.392
bonds (distance) P-C4' energy: -89.679
flat angles C4'-P-C4' energy: -107.699
flat angles P-C4'-P energy: -72.231
tors. eta vs tors. theta energy: -150.755
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: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1737.948803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.948803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.948803 (E_RNA)
where:
Base-Base interactions energy: -1211.895
where: short stacking energy: -494.303
Base-Backbone interact. energy: -3.827
local terms energy: -522.226497
where:
bonds (distance) C4'-P energy: -95.977
bonds (distance) P-C4' energy: -90.769
flat angles C4'-P-C4' energy: -110.662
flat angles P-C4'-P energy: -74.226
tors. eta vs tors. theta energy: -150.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1721.879789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.879789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.879789 (E_RNA)
where:
Base-Base interactions energy: -1229.800
where: short stacking energy: -519.339
Base-Backbone interact. energy: -2.647
local terms energy: -489.433147
where:
bonds (distance) C4'-P energy: -73.834
bonds (distance) P-C4' energy: -88.362
flat angles C4'-P-C4' energy: -106.405
flat angles P-C4'-P energy: -73.702
tors. eta vs tors. theta energy: -147.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1633.387724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.387724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.387724 (E_RNA)
where:
Base-Base interactions energy: -1151.345
where: short stacking energy: -483.420
Base-Backbone interact. energy: -1.249
local terms energy: -480.794436
where:
bonds (distance) C4'-P energy: -76.709
bonds (distance) P-C4' energy: -95.041
flat angles C4'-P-C4' energy: -108.453
flat angles P-C4'-P energy: -67.229
tors. eta vs tors. theta energy: -133.363
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: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1524.145603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.145603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.145603 (E_RNA)
where:
Base-Base interactions energy: -1048.971
where: short stacking energy: -438.066
Base-Backbone interact. energy: -2.001
local terms energy: -473.173094
where:
bonds (distance) C4'-P energy: -80.908
bonds (distance) P-C4' energy: -98.916
flat angles C4'-P-C4' energy: -91.355
flat angles P-C4'-P energy: -76.105
tors. eta vs tors. theta energy: -125.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1438.442159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.442159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.442159 (E_RNA)
where:
Base-Base interactions energy: -996.327
where: short stacking energy: -420.492
Base-Backbone interact. energy: -3.002
local terms energy: -439.113109
where:
bonds (distance) C4'-P energy: -71.374
bonds (distance) P-C4' energy: -90.359
flat angles C4'-P-C4' energy: -89.099
flat angles P-C4'-P energy: -55.336
tors. eta vs tors. theta energy: -132.945
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: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1143.999165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.999165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.999165 (E_RNA)
where:
Base-Base interactions energy: -783.677
where: short stacking energy: -343.926
Base-Backbone interact. energy: -2.101
local terms energy: -358.221263
where:
bonds (distance) C4'-P energy: -72.679
bonds (distance) P-C4' energy: -75.503
flat angles C4'-P-C4' energy: -87.274
flat angles P-C4'-P energy: -55.669
tors. eta vs tors. theta energy: -67.096
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: 9, replica: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1176.955107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.955107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.955107 (E_RNA)
where:
Base-Base interactions energy: -782.333
where: short stacking energy: -362.204
Base-Backbone interact. energy: -1.615
local terms energy: -393.007081
where:
bonds (distance) C4'-P energy: -73.514
bonds (distance) P-C4' energy: -81.153
flat angles C4'-P-C4' energy: -83.584
flat angles P-C4'-P energy: -64.621
tors. eta vs tors. theta energy: -90.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -707.247080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.247080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.247080 (E_RNA)
where:
Base-Base interactions energy: -413.670
where: short stacking energy: -199.481
Base-Backbone interact. energy: 1.157
local terms energy: -294.733698
where:
bonds (distance) C4'-P energy: -75.677
bonds (distance) P-C4' energy: -80.599
flat angles C4'-P-C4' energy: -71.482
flat angles P-C4'-P energy: -47.414
tors. eta vs tors. theta energy: -19.562
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: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1861.179829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.179829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.179829 (E_RNA)
where:
Base-Base interactions energy: -1311.701
where: short stacking energy: -533.780
Base-Backbone interact. energy: -3.335
local terms energy: -546.143437
where:
bonds (distance) C4'-P energy: -99.200
bonds (distance) P-C4' energy: -102.980
flat angles C4'-P-C4' energy: -115.385
flat angles P-C4'-P energy: -74.927
tors. eta vs tors. theta energy: -153.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1791.175318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.175318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.175318 (E_RNA)
where:
Base-Base interactions energy: -1261.642
where: short stacking energy: -518.120
Base-Backbone interact. energy: -0.064
local terms energy: -529.468996
where:
bonds (distance) C4'-P energy: -99.217
bonds (distance) P-C4' energy: -99.865
flat angles C4'-P-C4' energy: -112.602
flat angles P-C4'-P energy: -77.806
tors. eta vs tors. theta energy: -139.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1744.407612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.407612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.407612 (E_RNA)
where:
Base-Base interactions energy: -1221.318
where: short stacking energy: -519.372
Base-Backbone interact. energy: -3.051
local terms energy: -520.038245
where:
bonds (distance) C4'-P energy: -90.219
bonds (distance) P-C4' energy: -104.048
flat angles C4'-P-C4' energy: -104.754
flat angles P-C4'-P energy: -72.966
tors. eta vs tors. theta energy: -148.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1672.339366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.339366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.339366 (E_RNA)
where:
Base-Base interactions energy: -1167.871
where: short stacking energy: -494.853
Base-Backbone interact. energy: -2.370
local terms energy: -502.098245
where:
bonds (distance) C4'-P energy: -87.760
bonds (distance) P-C4' energy: -96.303
flat angles C4'-P-C4' energy: -100.397
flat angles P-C4'-P energy: -72.738
tors. eta vs tors. theta energy: -144.899
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: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1655.728310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.728310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.728310 (E_RNA)
where:
Base-Base interactions energy: -1172.213
where: short stacking energy: -501.517
Base-Backbone interact. energy: 0.358
local terms energy: -483.873562
where:
bonds (distance) C4'-P energy: -72.830
bonds (distance) P-C4' energy: -91.516
flat angles C4'-P-C4' energy: -105.176
flat angles P-C4'-P energy: -72.677
tors. eta vs tors. theta energy: -141.674
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: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1485.056034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.056034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.056034 (E_RNA)
where:
Base-Base interactions energy: -1030.903
where: short stacking energy: -427.215
Base-Backbone interact. energy: -0.775
local terms energy: -453.377913
where:
bonds (distance) C4'-P energy: -77.142
bonds (distance) P-C4' energy: -88.307
flat angles C4'-P-C4' energy: -100.676
flat angles P-C4'-P energy: -70.263
tors. eta vs tors. theta energy: -116.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1494.073859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.073859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.073859 (E_RNA)
where:
Base-Base interactions energy: -1042.452
where: short stacking energy: -421.215
Base-Backbone interact. energy: -0.295
local terms energy: -451.326364
where:
bonds (distance) C4'-P energy: -91.121
bonds (distance) P-C4' energy: -96.808
flat angles C4'-P-C4' energy: -83.034
flat angles P-C4'-P energy: -58.400
tors. eta vs tors. theta energy: -121.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1151.960494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.960494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.960494 (E_RNA)
where:
Base-Base interactions energy: -803.630
where: short stacking energy: -339.401
Base-Backbone interact. energy: -3.062
local terms energy: -345.268716
where:
bonds (distance) C4'-P energy: -56.491
bonds (distance) P-C4' energy: -72.873
flat angles C4'-P-C4' energy: -74.780
flat angles P-C4'-P energy: -63.402
tors. eta vs tors. theta energy: -77.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1053.220490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.220490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.220490 (E_RNA)
where:
Base-Base interactions energy: -714.202
where: short stacking energy: -297.493
Base-Backbone interact. energy: 0.902
local terms energy: -339.921273
where:
bonds (distance) C4'-P energy: -75.532
bonds (distance) P-C4' energy: -88.829
flat angles C4'-P-C4' energy: -81.749
flat angles P-C4'-P energy: -40.012
tors. eta vs tors. theta energy: -53.799
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: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -717.840235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.840235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.840235 (E_RNA)
where:
Base-Base interactions energy: -421.227
where: short stacking energy: -201.043
Base-Backbone interact. energy: -2.371
local terms energy: -294.242510
where:
bonds (distance) C4'-P energy: -65.501
bonds (distance) P-C4' energy: -85.315
flat angles C4'-P-C4' energy: -63.499
flat angles P-C4'-P energy: -44.749
tors. eta vs tors. theta energy: -35.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1829.569654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.569654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.569654 (E_RNA)
where:
Base-Base interactions energy: -1275.748
where: short stacking energy: -533.717
Base-Backbone interact. energy: -1.302
local terms energy: -552.519743
where:
bonds (distance) C4'-P energy: -112.661
bonds (distance) P-C4' energy: -92.543
flat angles C4'-P-C4' energy: -116.278
flat angles P-C4'-P energy: -78.261
tors. eta vs tors. theta energy: -152.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1789.819264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.819264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.819264 (E_RNA)
where:
Base-Base interactions energy: -1257.806
where: short stacking energy: -540.986
Base-Backbone interact. energy: 0.454
local terms energy: -532.467101
where:
bonds (distance) C4'-P energy: -91.979
bonds (distance) P-C4' energy: -103.916
flat angles C4'-P-C4' energy: -108.361
flat angles P-C4'-P energy: -77.475
tors. eta vs tors. theta energy: -150.736
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: 196
Temperature: 1.000000
Total energy: -1730.226665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.226665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.226665 (E_RNA)
where:
Base-Base interactions energy: -1189.920
where: short stacking energy: -495.102
Base-Backbone interact. energy: -1.854
local terms energy: -538.452500
where:
bonds (distance) C4'-P energy: -93.337
bonds (distance) P-C4' energy: -101.594
flat angles C4'-P-C4' energy: -111.698
flat angles P-C4'-P energy: -86.890
tors. eta vs tors. theta energy: -144.933
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: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1738.573474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.573474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.573474 (E_RNA)
where:
Base-Base interactions energy: -1230.008
where: short stacking energy: -490.438
Base-Backbone interact. energy: -0.058
local terms energy: -508.507141
where:
bonds (distance) C4'-P energy: -100.657
bonds (distance) P-C4' energy: -91.208
flat angles C4'-P-C4' energy: -101.246
flat angles P-C4'-P energy: -69.308
tors. eta vs tors. theta energy: -146.089
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: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1617.115663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.115663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.115663 (E_RNA)
where:
Base-Base interactions energy: -1158.333
where: short stacking energy: -444.904
Base-Backbone interact. energy: 1.206
local terms energy: -459.988359
where:
bonds (distance) C4'-P energy: -88.662
bonds (distance) P-C4' energy: -83.344
flat angles C4'-P-C4' energy: -101.498
flat angles P-C4'-P energy: -56.128
tors. eta vs tors. theta energy: -130.357
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: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1490.369422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.369422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.369422 (E_RNA)
where:
Base-Base interactions energy: -1043.528
where: short stacking energy: -441.992
Base-Backbone interact. energy: -1.508
local terms energy: -445.332935
where:
bonds (distance) C4'-P energy: -66.651
bonds (distance) P-C4' energy: -89.613
flat angles C4'-P-C4' energy: -94.554
flat angles P-C4'-P energy: -69.839
tors. eta vs tors. theta energy: -124.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1488.518026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.518026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.518026 (E_RNA)
where:
Base-Base interactions energy: -1038.925
where: short stacking energy: -441.288
Base-Backbone interact. energy: -0.560
local terms energy: -449.032786
where:
bonds (distance) C4'-P energy: -72.867
bonds (distance) P-C4' energy: -87.914
flat angles C4'-P-C4' energy: -105.757
flat angles P-C4'-P energy: -65.922
tors. eta vs tors. theta energy: -116.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1166.152106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.152106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.152106 (E_RNA)
where:
Base-Base interactions energy: -769.011
where: short stacking energy: -334.419
Base-Backbone interact. energy: -2.695
local terms energy: -394.446582
where:
bonds (distance) C4'-P energy: -70.595
bonds (distance) P-C4' energy: -68.914
flat angles C4'-P-C4' energy: -95.322
flat angles P-C4'-P energy: -68.360
tors. eta vs tors. theta energy: -91.256
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: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1024.809672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.809672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.809672 (E_RNA)
where:
Base-Base interactions energy: -669.560
where: short stacking energy: -286.114
Base-Backbone interact. energy: -0.871
local terms energy: -354.378123
where:
bonds (distance) C4'-P energy: -74.290
bonds (distance) P-C4' energy: -92.889
flat angles C4'-P-C4' energy: -75.529
flat angles P-C4'-P energy: -53.218
tors. eta vs tors. theta energy: -58.453
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: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -754.384175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.384175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.384175 (E_RNA)
where:
Base-Base interactions energy: -447.118
where: short stacking energy: -204.267
Base-Backbone interact. energy: 2.661
local terms energy: -309.927345
where:
bonds (distance) C4'-P energy: -89.541
bonds (distance) P-C4' energy: -63.828
flat angles C4'-P-C4' energy: -87.338
flat angles P-C4'-P energy: -47.758
tors. eta vs tors. theta energy: -21.462
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: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1853.301068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.301068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.301068 (E_RNA)
where:
Base-Base interactions energy: -1300.276
where: short stacking energy: -542.405
Base-Backbone interact. energy: -1.801
local terms energy: -551.224776
where:
bonds (distance) C4'-P energy: -100.931
bonds (distance) P-C4' energy: -99.239
flat angles C4'-P-C4' energy: -107.006
flat angles P-C4'-P energy: -89.256
tors. eta vs tors. theta energy: -154.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1801.433683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.433683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.433683 (E_RNA)
where:
Base-Base interactions energy: -1266.675
where: short stacking energy: -523.257
Base-Backbone interact. energy: 1.164
local terms energy: -535.922914
where:
bonds (distance) C4'-P energy: -87.692
bonds (distance) P-C4' energy: -95.597
flat angles C4'-P-C4' energy: -115.354
flat angles P-C4'-P energy: -80.504
tors. eta vs tors. theta energy: -156.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1730.355294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.355294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.355294 (E_RNA)
where:
Base-Base interactions energy: -1222.451
where: short stacking energy: -503.984
Base-Backbone interact. energy: -1.464
local terms energy: -506.440387
where:
bonds (distance) C4'-P energy: -86.868
bonds (distance) P-C4' energy: -81.166
flat angles C4'-P-C4' energy: -111.197
flat angles P-C4'-P energy: -79.904
tors. eta vs tors. theta energy: -147.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1665.981669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.981669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.981669 (E_RNA)
where:
Base-Base interactions energy: -1194.752
where: short stacking energy: -499.968
Base-Backbone interact. energy: -1.535
local terms energy: -469.694276
where:
bonds (distance) C4'-P energy: -81.356
bonds (distance) P-C4' energy: -78.601
flat angles C4'-P-C4' energy: -99.431
flat angles P-C4'-P energy: -63.769
tors. eta vs tors. theta energy: -146.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1622.295845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.295845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.295845 (E_RNA)
where:
Base-Base interactions energy: -1141.071
where: short stacking energy: -452.969
Base-Backbone interact. energy: -2.337
local terms energy: -478.887744
where:
bonds (distance) C4'-P energy: -90.188
bonds (distance) P-C4' energy: -83.351
flat angles C4'-P-C4' energy: -103.636
flat angles P-C4'-P energy: -68.380
tors. eta vs tors. theta energy: -133.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1506.111057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.111057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.111057 (E_RNA)
where:
Base-Base interactions energy: -1051.349
where: short stacking energy: -438.222
Base-Backbone interact. energy: -0.228
local terms energy: -454.534950
where:
bonds (distance) C4'-P energy: -88.380
bonds (distance) P-C4' energy: -74.583
flat angles C4'-P-C4' energy: -105.967
flat angles P-C4'-P energy: -61.349
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: 197
Temperature: 1.200000
Total energy: -1432.493624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.493624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.493624 (E_RNA)
where:
Base-Base interactions energy: -1015.062
where: short stacking energy: -431.567
Base-Backbone interact. energy: -2.155
local terms energy: -415.277206
where:
bonds (distance) C4'-P energy: -80.201
bonds (distance) P-C4' energy: -84.323
flat angles C4'-P-C4' energy: -78.511
flat angles P-C4'-P energy: -58.887
tors. eta vs tors. theta energy: -113.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1094.655833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.655833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.655833 (E_RNA)
where:
Base-Base interactions energy: -742.700
where: short stacking energy: -335.723
Base-Backbone interact. energy: 3.820
local terms energy: -355.775355
where:
bonds (distance) C4'-P energy: -64.261
bonds (distance) P-C4' energy: -79.560
flat angles C4'-P-C4' energy: -81.377
flat angles P-C4'-P energy: -59.461
tors. eta vs tors. theta energy: -71.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1139.286730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.286730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.286730 (E_RNA)
where:
Base-Base interactions energy: -773.814
where: short stacking energy: -313.873
Base-Backbone interact. energy: -2.932
local terms energy: -362.541594
where:
bonds (distance) C4'-P energy: -74.579
bonds (distance) P-C4' energy: -81.364
flat angles C4'-P-C4' energy: -81.301
flat angles P-C4'-P energy: -47.397
tors. eta vs tors. theta energy: -77.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -740.731375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.731375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.731375 (E_RNA)
where:
Base-Base interactions energy: -442.829
where: short stacking energy: -218.473
Base-Backbone interact. energy: -3.067
local terms energy: -294.835508
where:
bonds (distance) C4'-P energy: -53.216
bonds (distance) P-C4' energy: -84.036
flat angles C4'-P-C4' energy: -77.455
flat angles P-C4'-P energy: -58.634
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1850.043169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.043169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.043169 (E_RNA)
where:
Base-Base interactions energy: -1291.945
where: short stacking energy: -532.026
Base-Backbone interact. energy: -1.633
local terms energy: -556.464633
where:
bonds (distance) C4'-P energy: -95.331
bonds (distance) P-C4' energy: -101.823
flat angles C4'-P-C4' energy: -115.671
flat angles P-C4'-P energy: -83.692
tors. eta vs tors. theta energy: -159.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1809.354260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.354260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.354260 (E_RNA)
where:
Base-Base interactions energy: -1288.548
where: short stacking energy: -525.437
Base-Backbone interact. energy: -0.711
local terms energy: -520.095591
where:
bonds (distance) C4'-P energy: -87.472
bonds (distance) P-C4' energy: -87.371
flat angles C4'-P-C4' energy: -111.958
flat angles P-C4'-P energy: -85.105
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: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1730.118081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.118081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.118081 (E_RNA)
where:
Base-Base interactions energy: -1216.106
where: short stacking energy: -505.527
Base-Backbone interact. energy: -2.366
local terms energy: -511.645743
where:
bonds (distance) C4'-P energy: -87.514
bonds (distance) P-C4' energy: -93.934
flat angles C4'-P-C4' energy: -106.711
flat angles P-C4'-P energy: -74.095
tors. eta vs tors. theta energy: -149.391
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: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1705.307216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.307216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.307216 (E_RNA)
where:
Base-Base interactions energy: -1198.165
where: short stacking energy: -481.560
Base-Backbone interact. energy: -0.916
local terms energy: -506.226104
where:
bonds (distance) C4'-P energy: -94.711
bonds (distance) P-C4' energy: -95.024
flat angles C4'-P-C4' energy: -103.077
flat angles P-C4'-P energy: -67.425
tors. eta vs tors. theta energy: -145.989
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: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1660.343874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.343874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.343874 (E_RNA)
where:
Base-Base interactions energy: -1195.088
where: short stacking energy: -499.890
Base-Backbone interact. energy: -0.760
local terms energy: -464.495973
where:
bonds (distance) C4'-P energy: -82.685
bonds (distance) P-C4' energy: -79.519
flat angles C4'-P-C4' energy: -105.594
flat angles P-C4'-P energy: -61.827
tors. eta vs tors. theta energy: -134.870
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: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1539.923487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.923487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.923487 (E_RNA)
where:
Base-Base interactions energy: -1073.324
where: short stacking energy: -443.536
Base-Backbone interact. energy: -0.750
local terms energy: -465.850386
where:
bonds (distance) C4'-P energy: -76.166
bonds (distance) P-C4' energy: -98.281
flat angles C4'-P-C4' energy: -98.400
flat angles P-C4'-P energy: -69.842
tors. eta vs tors. theta energy: -123.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1405.298372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.298372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.298372 (E_RNA)
where:
Base-Base interactions energy: -976.815
where: short stacking energy: -420.612
Base-Backbone interact. energy: -0.418
local terms energy: -428.065700
where:
bonds (distance) C4'-P energy: -87.393
bonds (distance) P-C4' energy: -79.733
flat angles C4'-P-C4' energy: -90.680
flat angles P-C4'-P energy: -67.144
tors. eta vs tors. theta energy: -103.117
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: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1186.006277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.006277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.006277 (E_RNA)
where:
Base-Base interactions energy: -786.930
where: short stacking energy: -340.035
Base-Backbone interact. energy: -1.090
local terms energy: -397.985799
where:
bonds (distance) C4'-P energy: -80.648
bonds (distance) P-C4' energy: -89.469
flat angles C4'-P-C4' energy: -91.258
flat angles P-C4'-P energy: -64.549
tors. eta vs tors. theta energy: -72.061
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: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1073.386541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.386541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.386541 (E_RNA)
where:
Base-Base interactions energy: -701.936
where: short stacking energy: -300.765
Base-Backbone interact. energy: 2.485
local terms energy: -373.935814
where:
bonds (distance) C4'-P energy: -79.908
bonds (distance) P-C4' energy: -90.695
flat angles C4'-P-C4' energy: -87.268
flat angles P-C4'-P energy: -55.562
tors. eta vs tors. theta energy: -60.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -783.445503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.445503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.445503 (E_RNA)
where:
Base-Base interactions energy: -482.189
where: short stacking energy: -223.344
Base-Backbone interact. energy: 2.680
local terms energy: -303.936395
where:
bonds (distance) C4'-P energy: -64.877
bonds (distance) P-C4' energy: -89.959
flat angles C4'-P-C4' energy: -88.124
flat angles P-C4'-P energy: -27.203
tors. eta vs tors. theta energy: -33.774
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: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1864.788099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.788099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.788099 (E_RNA)
where:
Base-Base interactions energy: -1321.937
where: short stacking energy: -535.086
Base-Backbone interact. energy: 1.020
local terms energy: -543.871246
where:
bonds (distance) C4'-P energy: -103.297
bonds (distance) P-C4' energy: -95.828
flat angles C4'-P-C4' energy: -114.531
flat angles P-C4'-P energy: -69.709
tors. eta vs tors. theta energy: -160.507
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: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1784.417867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.417867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.417867 (E_RNA)
where:
Base-Base interactions energy: -1280.165
where: short stacking energy: -507.605
Base-Backbone interact. energy: -0.553
local terms energy: -503.700136
where:
bonds (distance) C4'-P energy: -96.783
bonds (distance) P-C4' energy: -84.634
flat angles C4'-P-C4' energy: -113.589
flat angles P-C4'-P energy: -62.953
tors. eta vs tors. theta energy: -145.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1744.145470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.145470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.145470 (E_RNA)
where:
Base-Base interactions energy: -1236.724
where: short stacking energy: -509.180
Base-Backbone interact. energy: -0.373
local terms energy: -507.047642
where:
bonds (distance) C4'-P energy: -81.744
bonds (distance) P-C4' energy: -96.607
flat angles C4'-P-C4' energy: -105.883
flat angles P-C4'-P energy: -70.581
tors. eta vs tors. theta energy: -152.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1668.607758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.607758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.607758 (E_RNA)
where:
Base-Base interactions energy: -1183.627
where: short stacking energy: -464.585
Base-Backbone interact. energy: 1.800
local terms energy: -486.780374
where:
bonds (distance) C4'-P energy: -85.664
bonds (distance) P-C4' energy: -102.011
flat angles C4'-P-C4' energy: -96.536
flat angles P-C4'-P energy: -69.091
tors. eta vs tors. theta energy: -133.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1654.725815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.725815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.725815 (E_RNA)
where:
Base-Base interactions energy: -1169.358
where: short stacking energy: -496.850
Base-Backbone interact. energy: -0.139
local terms energy: -485.228847
where:
bonds (distance) C4'-P energy: -73.445
bonds (distance) P-C4' energy: -97.093
flat angles C4'-P-C4' energy: -105.703
flat angles P-C4'-P energy: -67.865
tors. eta vs tors. theta energy: -141.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1506.652575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.652575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.652575 (E_RNA)
where:
Base-Base interactions energy: -1028.864
where: short stacking energy: -427.732
Base-Backbone interact. energy: -2.655
local terms energy: -475.133550
where:
bonds (distance) C4'-P energy: -86.550
bonds (distance) P-C4' energy: -95.525
flat angles C4'-P-C4' energy: -99.505
flat angles P-C4'-P energy: -72.274
tors. eta vs tors. theta energy: -121.280
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: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1372.587126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.587126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.587126 (E_RNA)
where:
Base-Base interactions energy: -941.863
where: short stacking energy: -402.209
Base-Backbone interact. energy: -0.711
local terms energy: -430.013237
where:
bonds (distance) C4'-P energy: -90.806
bonds (distance) P-C4' energy: -88.125
flat angles C4'-P-C4' energy: -99.998
flat angles P-C4'-P energy: -52.637
tors. eta vs tors. theta energy: -98.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1172.107417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.107417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.107417 (E_RNA)
where:
Base-Base interactions energy: -787.543
where: short stacking energy: -340.902
Base-Backbone interact. energy: -1.764
local terms energy: -382.800973
where:
bonds (distance) C4'-P energy: -81.825
bonds (distance) P-C4' energy: -80.807
flat angles C4'-P-C4' energy: -84.691
flat angles P-C4'-P energy: -56.446
tors. eta vs tors. theta energy: -79.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1055.633130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.633130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.633130 (E_RNA)
where:
Base-Base interactions energy: -700.130
where: short stacking energy: -297.826
Base-Backbone interact. energy: -1.847
local terms energy: -353.655614
where:
bonds (distance) C4'-P energy: -73.196
bonds (distance) P-C4' energy: -82.922
flat angles C4'-P-C4' energy: -79.194
flat angles P-C4'-P energy: -55.032
tors. eta vs tors. theta energy: -63.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -855.873458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.873458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.873458 (E_RNA)
where:
Base-Base interactions energy: -574.837
where: short stacking energy: -258.955
Base-Backbone interact. energy: -3.338
local terms energy: -277.697648
where:
bonds (distance) C4'-P energy: -71.003
bonds (distance) P-C4' energy: -49.884
flat angles C4'-P-C4' energy: -74.097
flat angles P-C4'-P energy: -50.855
tors. eta vs tors. theta energy: -31.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1860.663867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.663867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.663867 (E_RNA)
where:
Base-Base interactions energy: -1297.039
where: short stacking energy: -524.140
Base-Backbone interact. energy: -0.861
local terms energy: -562.764500
where:
bonds (distance) C4'-P energy: -96.951
bonds (distance) P-C4' energy: -110.724
flat angles C4'-P-C4' energy: -109.771
flat angles P-C4'-P energy: -85.242
tors. eta vs tors. theta energy: -160.077
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: 200
Temperature: 0.950000
Total energy: -1803.459208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.459208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.459208 (E_RNA)
where:
Base-Base interactions energy: -1279.443
where: short stacking energy: -508.104
Base-Backbone interact. energy: -1.074
local terms energy: -522.942605
where:
bonds (distance) C4'-P energy: -91.730
bonds (distance) P-C4' energy: -99.717
flat angles C4'-P-C4' energy: -111.159
flat angles P-C4'-P energy: -75.365
tors. eta vs tors. theta energy: -144.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1697.451729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.451729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.451729 (E_RNA)
where:
Base-Base interactions energy: -1202.960
where: short stacking energy: -486.782
Base-Backbone interact. energy: -1.605
local terms energy: -492.887023
where:
bonds (distance) C4'-P energy: -91.801
bonds (distance) P-C4' energy: -82.640
flat angles C4'-P-C4' energy: -103.695
flat angles P-C4'-P energy: -76.506
tors. eta vs tors. theta energy: -138.245
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: 1
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1689.915832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.915832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.915832 (E_RNA)
where:
Base-Base interactions energy: -1197.145
where: short stacking energy: -493.261
Base-Backbone interact. energy: -0.476
local terms energy: -492.295082
where:
bonds (distance) C4'-P energy: -98.356
bonds (distance) P-C4' energy: -92.809
flat angles C4'-P-C4' energy: -95.025
flat angles P-C4'-P energy: -67.961
tors. eta vs tors. theta energy: -138.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1622.349251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.349251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.349251 (E_RNA)
where:
Base-Base interactions energy: -1150.920
where: short stacking energy: -478.263
Base-Backbone interact. energy: 0.541
local terms energy: -471.970238
where:
bonds (distance) C4'-P energy: -63.924
bonds (distance) P-C4' energy: -93.353
flat angles C4'-P-C4' energy: -102.683
flat angles P-C4'-P energy: -74.306
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: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1531.407841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.407841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.407841 (E_RNA)
where:
Base-Base interactions energy: -1071.440
where: short stacking energy: -432.580
Base-Backbone interact. energy: 0.477
local terms energy: -460.444304
where:
bonds (distance) C4'-P energy: -61.679
bonds (distance) P-C4' energy: -85.775
flat angles C4'-P-C4' energy: -112.527
flat angles P-C4'-P energy: -73.969
tors. eta vs tors. theta energy: -126.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1397.788247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.788247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.788247 (E_RNA)
where:
Base-Base interactions energy: -977.785
where: short stacking energy: -422.531
Base-Backbone interact. energy: 4.809
local terms energy: -424.811960
where:
bonds (distance) C4'-P energy: -72.333
bonds (distance) P-C4' energy: -81.098
flat angles C4'-P-C4' energy: -90.978
flat angles P-C4'-P energy: -68.824
tors. eta vs tors. theta energy: -111.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1149.052411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.052411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.052411 (E_RNA)
where:
Base-Base interactions energy: -768.697
where: short stacking energy: -331.380
Base-Backbone interact. energy: 0.672
local terms energy: -381.027012
where:
bonds (distance) C4'-P energy: -79.932
bonds (distance) P-C4' energy: -79.889
flat angles C4'-P-C4' energy: -93.779
flat angles P-C4'-P energy: -57.424
tors. eta vs tors. theta energy: -70.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1100.099937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.099937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.099937 (E_RNA)
where:
Base-Base interactions energy: -736.326
where: short stacking energy: -320.713
Base-Backbone interact. energy: -1.847
local terms energy: -361.927446
where:
bonds (distance) C4'-P energy: -84.695
bonds (distance) P-C4' energy: -69.078
flat angles C4'-P-C4' energy: -83.296
flat angles P-C4'-P energy: -52.851
tors. eta vs tors. theta energy: -72.007
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: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -833.783612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.783612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.783612 (E_RNA)
where:
Base-Base interactions energy: -500.309
where: short stacking energy: -245.914
Base-Backbone interact. energy: 2.252
local terms energy: -335.725822
where:
bonds (distance) C4'-P energy: -77.076
bonds (distance) P-C4' energy: -81.021
flat angles C4'-P-C4' energy: -84.587
flat angles P-C4'-P energy: -53.745
tors. eta vs tors. theta energy: -39.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1831.387732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.387732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.387732 (E_RNA)
where:
Base-Base interactions energy: -1290.851
where: short stacking energy: -525.540
Base-Backbone interact. energy: 0.740
local terms energy: -541.276927
where:
bonds (distance) C4'-P energy: -96.065
bonds (distance) P-C4' energy: -107.712
flat angles C4'-P-C4' energy: -108.897
flat angles P-C4'-P energy: -75.161
tors. eta vs tors. theta energy: -153.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1803.826153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.826153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.826153 (E_RNA)
where:
Base-Base interactions energy: -1294.364
where: short stacking energy: -525.439
Base-Backbone interact. energy: -1.192
local terms energy: -508.270888
where:
bonds (distance) C4'-P energy: -90.070
bonds (distance) P-C4' energy: -97.742
flat angles C4'-P-C4' energy: -102.813
flat angles P-C4'-P energy: -72.556
tors. eta vs tors. theta energy: -145.089
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: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1720.317467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.317467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.317467 (E_RNA)
where:
Base-Base interactions energy: -1208.077
where: short stacking energy: -494.438
Base-Backbone interact. energy: -1.194
local terms energy: -511.046582
where:
bonds (distance) C4'-P energy: -93.623
bonds (distance) P-C4' energy: -99.036
flat angles C4'-P-C4' energy: -107.830
flat angles P-C4'-P energy: -70.500
tors. eta vs tors. theta energy: -140.058
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: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1685.935967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.935967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.935967 (E_RNA)
where:
Base-Base interactions energy: -1185.646
where: short stacking energy: -511.830
Base-Backbone interact. energy: -0.747
local terms energy: -499.542564
where:
bonds (distance) C4'-P energy: -93.966
bonds (distance) P-C4' energy: -89.092
flat angles C4'-P-C4' energy: -110.333
flat angles P-C4'-P energy: -65.241
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: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1631.376559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.376559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.376559 (E_RNA)
where:
Base-Base interactions energy: -1151.519
where: short stacking energy: -480.968
Base-Backbone interact. energy: -2.812
local terms energy: -477.045474
where:
bonds (distance) C4'-P energy: -76.669
bonds (distance) P-C4' energy: -89.697
flat angles C4'-P-C4' energy: -104.296
flat angles P-C4'-P energy: -66.899
tors. eta vs tors. theta energy: -139.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1576.869420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.869420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.869420 (E_RNA)
where:
Base-Base interactions energy: -1100.476
where: short stacking energy: -460.728
Base-Backbone interact. energy: -1.136
local terms energy: -475.256902
where:
bonds (distance) C4'-P energy: -79.424
bonds (distance) P-C4' energy: -85.758
flat angles C4'-P-C4' energy: -101.074
flat angles P-C4'-P energy: -78.733
tors. eta vs tors. theta energy: -130.268
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: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1418.766655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.766655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.766655 (E_RNA)
where:
Base-Base interactions energy: -965.417
where: short stacking energy: -404.099
Base-Backbone interact. energy: 0.317
local terms energy: -453.666813
where:
bonds (distance) C4'-P energy: -93.873
bonds (distance) P-C4' energy: -94.139
flat angles C4'-P-C4' energy: -101.863
flat angles P-C4'-P energy: -65.456
tors. eta vs tors. theta energy: -98.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1131.973234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.973234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.973234 (E_RNA)
where:
Base-Base interactions energy: -753.303
where: short stacking energy: -323.298
Base-Backbone interact. energy: -1.724
local terms energy: -376.945951
where:
bonds (distance) C4'-P energy: -87.258
bonds (distance) P-C4' energy: -84.685
flat angles C4'-P-C4' energy: -87.776
flat angles P-C4'-P energy: -52.893
tors. eta vs tors. theta energy: -64.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1103.628294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.628294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.628294 (E_RNA)
where:
Base-Base interactions energy: -725.273
where: short stacking energy: -315.756
Base-Backbone interact. energy: 1.832
local terms energy: -380.187975
where:
bonds (distance) C4'-P energy: -67.732
bonds (distance) P-C4' energy: -85.623
flat angles C4'-P-C4' energy: -95.487
flat angles P-C4'-P energy: -58.297
tors. eta vs tors. theta energy: -73.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -858.767785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.767785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.767785 (E_RNA)
where:
Base-Base interactions energy: -530.476
where: short stacking energy: -244.991
Base-Backbone interact. energy: -1.846
local terms energy: -326.445324
where:
bonds (distance) C4'-P energy: -84.223
bonds (distance) P-C4' energy: -85.553
flat angles C4'-P-C4' energy: -79.986
flat angles P-C4'-P energy: -31.512
tors. eta vs tors. theta energy: -45.171
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: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1845.099557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.099557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.099557 (E_RNA)
where:
Base-Base interactions energy: -1299.446
where: short stacking energy: -540.005
Base-Backbone interact. energy: -1.012
local terms energy: -544.641405
where:
bonds (distance) C4'-P energy: -86.285
bonds (distance) P-C4' energy: -105.249
flat angles C4'-P-C4' energy: -114.083
flat angles P-C4'-P energy: -79.585
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: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1834.445378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.445378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.445378 (E_RNA)
where:
Base-Base interactions energy: -1298.659
where: short stacking energy: -535.715
Base-Backbone interact. energy: -1.615
local terms energy: -534.171629
where:
bonds (distance) C4'-P energy: -99.017
bonds (distance) P-C4' energy: -101.593
flat angles C4'-P-C4' energy: -105.027
flat angles P-C4'-P energy: -71.541
tors. eta vs tors. theta energy: -156.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1765.486180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.486180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.486180 (E_RNA)
where:
Base-Base interactions energy: -1231.402
where: short stacking energy: -502.185
Base-Backbone interact. energy: 0.036
local terms energy: -534.119306
where:
bonds (distance) C4'-P energy: -94.908
bonds (distance) P-C4' energy: -99.561
flat angles C4'-P-C4' energy: -112.089
flat angles P-C4'-P energy: -77.758
tors. eta vs tors. theta energy: -149.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1646.903273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.903273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.903273 (E_RNA)
where:
Base-Base interactions energy: -1153.716
where: short stacking energy: -457.999
Base-Backbone interact. energy: -1.829
local terms energy: -491.357950
where:
bonds (distance) C4'-P energy: -87.533
bonds (distance) P-C4' energy: -90.300
flat angles C4'-P-C4' energy: -106.360
flat angles P-C4'-P energy: -67.816
tors. eta vs tors. theta energy: -139.349
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: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1660.929512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.929512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.929512 (E_RNA)
where:
Base-Base interactions energy: -1149.243
where: short stacking energy: -492.927
Base-Backbone interact. energy: -0.861
local terms energy: -510.825271
where:
bonds (distance) C4'-P energy: -97.833
bonds (distance) P-C4' energy: -93.970
flat angles C4'-P-C4' energy: -108.307
flat angles P-C4'-P energy: -67.504
tors. eta vs tors. theta energy: -143.211
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: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1606.532791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.532791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.532791 (E_RNA)
where:
Base-Base interactions energy: -1150.275
where: short stacking energy: -479.316
Base-Backbone interact. energy: -0.948
local terms energy: -455.310131
where:
bonds (distance) C4'-P energy: -80.525
bonds (distance) P-C4' energy: -76.270
flat angles C4'-P-C4' energy: -98.874
flat angles P-C4'-P energy: -71.019
tors. eta vs tors. theta energy: -128.622
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: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1393.131583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.131583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.131583 (E_RNA)
where:
Base-Base interactions energy: -970.937
where: short stacking energy: -393.211
Base-Backbone interact. energy: -0.036
local terms energy: -422.158932
where:
bonds (distance) C4'-P energy: -83.106
bonds (distance) P-C4' energy: -81.629
flat angles C4'-P-C4' energy: -86.935
flat angles P-C4'-P energy: -64.713
tors. eta vs tors. theta energy: -105.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1158.886199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.886199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.886199 (E_RNA)
where:
Base-Base interactions energy: -762.218
where: short stacking energy: -321.237
Base-Backbone interact. energy: -0.930
local terms energy: -395.739022
where:
bonds (distance) C4'-P energy: -89.925
bonds (distance) P-C4' energy: -95.430
flat angles C4'-P-C4' energy: -87.184
flat angles P-C4'-P energy: -50.406
tors. eta vs tors. theta energy: -72.794
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: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1102.371876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.371876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.371876 (E_RNA)
where:
Base-Base interactions energy: -749.468
where: short stacking energy: -309.117
Base-Backbone interact. energy: 4.186
local terms energy: -357.089709
where:
bonds (distance) C4'-P energy: -80.563
bonds (distance) P-C4' energy: -75.287
flat angles C4'-P-C4' energy: -64.833
flat angles P-C4'-P energy: -57.427
tors. eta vs tors. theta energy: -78.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -882.196254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.196254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.196254 (E_RNA)
where:
Base-Base interactions energy: -585.663
where: short stacking energy: -271.216
Base-Backbone interact. energy: 9.606
local terms energy: -306.139083
where:
bonds (distance) C4'-P energy: -76.159
bonds (distance) P-C4' energy: -80.890
flat angles C4'-P-C4' energy: -70.629
flat angles P-C4'-P energy: -47.094
tors. eta vs tors. theta energy: -31.367
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: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1841.668228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.668228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.668228 (E_RNA)
where:
Base-Base interactions energy: -1286.677
where: short stacking energy: -551.829
Base-Backbone interact. energy: -0.540
local terms energy: -554.451056
where:
bonds (distance) C4'-P energy: -102.132
bonds (distance) P-C4' energy: -94.058
flat angles C4'-P-C4' energy: -107.982
flat angles P-C4'-P energy: -83.194
tors. eta vs tors. theta energy: -167.085
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: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1818.413935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.413935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.413935 (E_RNA)
where:
Base-Base interactions energy: -1267.582
where: short stacking energy: -531.316
Base-Backbone interact. energy: -1.384
local terms energy: -549.448600
where:
bonds (distance) C4'-P energy: -88.806
bonds (distance) P-C4' energy: -112.085
flat angles C4'-P-C4' energy: -108.091
flat angles P-C4'-P energy: -81.519
tors. eta vs tors. theta energy: -158.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1721.063974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.063974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.063974 (E_RNA)
where:
Base-Base interactions energy: -1200.857
where: short stacking energy: -511.281
Base-Backbone interact. energy: -1.455
local terms energy: -518.752065
where:
bonds (distance) C4'-P energy: -100.263
bonds (distance) P-C4' energy: -89.568
flat angles C4'-P-C4' energy: -106.590
flat angles P-C4'-P energy: -75.493
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: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1674.539093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.539093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.539093 (E_RNA)
where:
Base-Base interactions energy: -1191.455
where: short stacking energy: -520.485
Base-Backbone interact. energy: 0.296
local terms energy: -483.380113
where:
bonds (distance) C4'-P energy: -74.355
bonds (distance) P-C4' energy: -81.380
flat angles C4'-P-C4' energy: -112.779
flat angles P-C4'-P energy: -68.246
tors. eta vs tors. theta energy: -146.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1619.701817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.701817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.701817 (E_RNA)
where:
Base-Base interactions energy: -1144.457
where: short stacking energy: -444.036
Base-Backbone interact. energy: -1.918
local terms energy: -473.326601
where:
bonds (distance) C4'-P energy: -80.051
bonds (distance) P-C4' energy: -81.415
flat angles C4'-P-C4' energy: -108.021
flat angles P-C4'-P energy: -72.275
tors. eta vs tors. theta energy: -131.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1552.698246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.698246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.698246 (E_RNA)
where:
Base-Base interactions energy: -1096.117
where: short stacking energy: -443.564
Base-Backbone interact. energy: 6.876
local terms energy: -463.457288
where:
bonds (distance) C4'-P energy: -90.850
bonds (distance) P-C4' energy: -75.259
flat angles C4'-P-C4' energy: -89.152
flat angles P-C4'-P energy: -73.088
tors. eta vs tors. theta energy: -135.109
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: 203
Temperature: 1.200000
Total energy: -1409.257077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.257077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.257077 (E_RNA)
where:
Base-Base interactions energy: -985.010
where: short stacking energy: -425.203
Base-Backbone interact. energy: -1.383
local terms energy: -422.863609
where:
bonds (distance) C4'-P energy: -67.065
bonds (distance) P-C4' energy: -79.633
flat angles C4'-P-C4' energy: -94.361
flat angles P-C4'-P energy: -66.570
tors. eta vs tors. theta energy: -115.236
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: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1172.145685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.145685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.145685 (E_RNA)
where:
Base-Base interactions energy: -800.995
where: short stacking energy: -340.164
Base-Backbone interact. energy: 0.512
local terms energy: -371.662731
where:
bonds (distance) C4'-P energy: -90.158
bonds (distance) P-C4' energy: -84.380
flat angles C4'-P-C4' energy: -77.202
flat angles P-C4'-P energy: -45.846
tors. eta vs tors. theta energy: -74.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1064.724607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.724607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.724607 (E_RNA)
where:
Base-Base interactions energy: -712.208
where: short stacking energy: -322.594
Base-Backbone interact. energy: 3.823
local terms energy: -356.339385
where:
bonds (distance) C4'-P energy: -89.205
bonds (distance) P-C4' energy: -63.112
flat angles C4'-P-C4' energy: -70.738
flat angles P-C4'-P energy: -60.036
tors. eta vs tors. theta energy: -73.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -849.318248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.318248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.318248 (E_RNA)
where:
Base-Base interactions energy: -534.395
where: short stacking energy: -251.417
Base-Backbone interact. energy: 1.672
local terms energy: -316.594501
where:
bonds (distance) C4'-P energy: -76.387
bonds (distance) P-C4' energy: -71.700
flat angles C4'-P-C4' energy: -87.503
flat angles P-C4'-P energy: -41.335
tors. eta vs tors. theta energy: -39.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1828.918988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.918988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.918988 (E_RNA)
where:
Base-Base interactions energy: -1295.840
where: short stacking energy: -547.358
Base-Backbone interact. energy: -2.645
local terms energy: -530.433884
where:
bonds (distance) C4'-P energy: -101.265
bonds (distance) P-C4' energy: -85.690
flat angles C4'-P-C4' energy: -116.407
flat angles P-C4'-P energy: -75.013
tors. eta vs tors. theta energy: -152.059
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: 204
Temperature: 0.950000
Total energy: -1804.929158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.929158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.929158 (E_RNA)
where:
Base-Base interactions energy: -1276.924
where: short stacking energy: -527.701
Base-Backbone interact. energy: -0.876
local terms energy: -527.128684
where:
bonds (distance) C4'-P energy: -95.307
bonds (distance) P-C4' energy: -87.632
flat angles C4'-P-C4' energy: -112.882
flat angles P-C4'-P energy: -74.285
tors. eta vs tors. theta energy: -157.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1700.376486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.376486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.376486 (E_RNA)
where:
Base-Base interactions energy: -1192.576
where: short stacking energy: -489.854
Base-Backbone interact. energy: -0.918
local terms energy: -506.882569
where:
bonds (distance) C4'-P energy: -89.713
bonds (distance) P-C4' energy: -96.475
flat angles C4'-P-C4' energy: -110.756
flat angles P-C4'-P energy: -70.949
tors. eta vs tors. theta energy: -138.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1677.555776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.555776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.555776 (E_RNA)
where:
Base-Base interactions energy: -1201.639
where: short stacking energy: -501.326
Base-Backbone interact. energy: -2.533
local terms energy: -473.383579
where:
bonds (distance) C4'-P energy: -78.530
bonds (distance) P-C4' energy: -82.591
flat angles C4'-P-C4' energy: -107.399
flat angles P-C4'-P energy: -62.954
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: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1606.954268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.954268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.954268 (E_RNA)
where:
Base-Base interactions energy: -1146.376
where: short stacking energy: -458.553
Base-Backbone interact. energy: -2.236
local terms energy: -458.342162
where:
bonds (distance) C4'-P energy: -76.688
bonds (distance) P-C4' energy: -88.190
flat angles C4'-P-C4' energy: -97.723
flat angles P-C4'-P energy: -64.930
tors. eta vs tors. theta energy: -130.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1594.388119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.388119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.388119 (E_RNA)
where:
Base-Base interactions energy: -1121.788
where: short stacking energy: -486.392
Base-Backbone interact. energy: -1.912
local terms energy: -470.688161
where:
bonds (distance) C4'-P energy: -73.056
bonds (distance) P-C4' energy: -93.812
flat angles C4'-P-C4' energy: -102.284
flat angles P-C4'-P energy: -61.697
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: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1417.910736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.910736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.910736 (E_RNA)
where:
Base-Base interactions energy: -959.927
where: short stacking energy: -401.063
Base-Backbone interact. energy: 1.380
local terms energy: -459.363672
where:
bonds (distance) C4'-P energy: -84.759
bonds (distance) P-C4' energy: -96.331
flat angles C4'-P-C4' energy: -105.026
flat angles P-C4'-P energy: -64.637
tors. eta vs tors. theta energy: -108.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1195.895662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.895662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.895662 (E_RNA)
where:
Base-Base interactions energy: -795.361
where: short stacking energy: -349.233
Base-Backbone interact. energy: -3.565
local terms energy: -396.969674
where:
bonds (distance) C4'-P energy: -87.025
bonds (distance) P-C4' energy: -95.010
flat angles C4'-P-C4' energy: -78.223
flat angles P-C4'-P energy: -45.687
tors. eta vs tors. theta energy: -91.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1086.544185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.544185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.544185 (E_RNA)
where:
Base-Base interactions energy: -723.308
where: short stacking energy: -290.265
Base-Backbone interact. energy: -1.423
local terms energy: -361.812862
where:
bonds (distance) C4'-P energy: -74.024
bonds (distance) P-C4' energy: -92.786
flat angles C4'-P-C4' energy: -78.132
flat angles P-C4'-P energy: -48.559
tors. eta vs tors. theta energy: -68.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -909.893853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.893853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.893853 (E_RNA)
where:
Base-Base interactions energy: -587.543
where: short stacking energy: -275.863
Base-Backbone interact. energy: 6.386
local terms energy: -328.736774
where:
bonds (distance) C4'-P energy: -80.629
bonds (distance) P-C4' energy: -77.245
flat angles C4'-P-C4' energy: -87.092
flat angles P-C4'-P energy: -44.338
tors. eta vs tors. theta energy: -39.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1826.708455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.708455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.708455 (E_RNA)
where:
Base-Base interactions energy: -1288.150
where: short stacking energy: -543.473
Base-Backbone interact. energy: -1.313
local terms energy: -537.246170
where:
bonds (distance) C4'-P energy: -95.751
bonds (distance) P-C4' energy: -94.180
flat angles C4'-P-C4' energy: -107.920
flat angles P-C4'-P energy: -84.331
tors. eta vs tors. theta energy: -155.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1799.920249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.920249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.920249 (E_RNA)
where:
Base-Base interactions energy: -1267.732
where: short stacking energy: -526.762
Base-Backbone interact. energy: 2.605
local terms energy: -534.793776
where:
bonds (distance) C4'-P energy: -90.088
bonds (distance) P-C4' energy: -86.881
flat angles C4'-P-C4' energy: -125.754
flat angles P-C4'-P energy: -77.271
tors. eta vs tors. theta energy: -154.800
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: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1689.371654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.371654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.371654 (E_RNA)
where:
Base-Base interactions energy: -1176.691
where: short stacking energy: -470.590
Base-Backbone interact. energy: -1.775
local terms energy: -510.905405
where:
bonds (distance) C4'-P energy: -92.107
bonds (distance) P-C4' energy: -91.143
flat angles C4'-P-C4' energy: -111.092
flat angles P-C4'-P energy: -77.391
tors. eta vs tors. theta energy: -139.173
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: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1663.699550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.699550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.699550 (E_RNA)
where:
Base-Base interactions energy: -1174.749
where: short stacking energy: -492.613
Base-Backbone interact. energy: -0.845
local terms energy: -488.105446
where:
bonds (distance) C4'-P energy: -75.188
bonds (distance) P-C4' energy: -94.363
flat angles C4'-P-C4' energy: -114.962
flat angles P-C4'-P energy: -68.305
tors. eta vs tors. theta energy: -135.286
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: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1624.607995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.607995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.607995 (E_RNA)
where:
Base-Base interactions energy: -1147.402
where: short stacking energy: -466.497
Base-Backbone interact. energy: -1.801
local terms energy: -475.404622
where:
bonds (distance) C4'-P energy: -76.511
bonds (distance) P-C4' energy: -97.353
flat angles C4'-P-C4' energy: -99.811
flat angles P-C4'-P energy: -66.228
tors. eta vs tors. theta energy: -135.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1594.929342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.929342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.929342 (E_RNA)
where:
Base-Base interactions energy: -1125.716
where: short stacking energy: -479.300
Base-Backbone interact. energy: -0.961
local terms energy: -468.252362
where:
bonds (distance) C4'-P energy: -84.502
bonds (distance) P-C4' energy: -87.962
flat angles C4'-P-C4' energy: -96.444
flat angles P-C4'-P energy: -65.119
tors. eta vs tors. theta energy: -134.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1394.518963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.518963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.518963 (E_RNA)
where:
Base-Base interactions energy: -972.341
where: short stacking energy: -387.952
Base-Backbone interact. energy: 4.576
local terms energy: -426.754287
where:
bonds (distance) C4'-P energy: -78.616
bonds (distance) P-C4' energy: -100.100
flat angles C4'-P-C4' energy: -94.785
flat angles P-C4'-P energy: -53.232
tors. eta vs tors. theta energy: -100.021
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: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1228.815349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.815349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.815349 (E_RNA)
where:
Base-Base interactions energy: -840.860
where: short stacking energy: -350.875
Base-Backbone interact. energy: 1.627
local terms energy: -389.582354
where:
bonds (distance) C4'-P energy: -85.795
bonds (distance) P-C4' energy: -79.573
flat angles C4'-P-C4' energy: -83.300
flat angles P-C4'-P energy: -67.248
tors. eta vs tors. theta energy: -73.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1147.071462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.071462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.071462 (E_RNA)
where:
Base-Base interactions energy: -763.286
where: short stacking energy: -311.018
Base-Backbone interact. energy: 0.941
local terms energy: -384.726493
where:
bonds (distance) C4'-P energy: -80.528
bonds (distance) P-C4' energy: -91.428
flat angles C4'-P-C4' energy: -89.014
flat angles P-C4'-P energy: -49.971
tors. eta vs tors. theta energy: -73.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -921.032006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.032006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.032006 (E_RNA)
where:
Base-Base interactions energy: -574.418
where: short stacking energy: -245.104
Base-Backbone interact. energy: -0.218
local terms energy: -346.396754
where:
bonds (distance) C4'-P energy: -83.327
bonds (distance) P-C4' energy: -88.455
flat angles C4'-P-C4' energy: -75.798
flat angles P-C4'-P energy: -51.135
tors. eta vs tors. theta energy: -47.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1838.288696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.288696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.288696 (E_RNA)
where:
Base-Base interactions energy: -1293.393
where: short stacking energy: -544.665
Base-Backbone interact. energy: -0.763
local terms energy: -544.132610
where:
bonds (distance) C4'-P energy: -92.296
bonds (distance) P-C4' energy: -107.975
flat angles C4'-P-C4' energy: -110.429
flat angles P-C4'-P energy: -78.813
tors. eta vs tors. theta energy: -154.620
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: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1793.417933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.417933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.417933 (E_RNA)
where:
Base-Base interactions energy: -1245.066
where: short stacking energy: -527.710
Base-Backbone interact. energy: -2.475
local terms energy: -545.876351
where:
bonds (distance) C4'-P energy: -109.735
bonds (distance) P-C4' energy: -94.200
flat angles C4'-P-C4' energy: -114.464
flat angles P-C4'-P energy: -72.012
tors. eta vs tors. theta energy: -155.466
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: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1716.692573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.692573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.692573 (E_RNA)
where:
Base-Base interactions energy: -1220.133
where: short stacking energy: -512.387
Base-Backbone interact. energy: -1.349
local terms energy: -495.210770
where:
bonds (distance) C4'-P energy: -93.189
bonds (distance) P-C4' energy: -81.423
flat angles C4'-P-C4' energy: -105.410
flat angles P-C4'-P energy: -78.798
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: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1670.310728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.310728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.310728 (E_RNA)
where:
Base-Base interactions energy: -1187.425
where: short stacking energy: -494.351
Base-Backbone interact. energy: -2.360
local terms energy: -480.526116
where:
bonds (distance) C4'-P energy: -91.167
bonds (distance) P-C4' energy: -92.928
flat angles C4'-P-C4' energy: -94.788
flat angles P-C4'-P energy: -65.396
tors. eta vs tors. theta energy: -136.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1632.262429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.262429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.262429 (E_RNA)
where:
Base-Base interactions energy: -1148.778
where: short stacking energy: -475.639
Base-Backbone interact. energy: -1.165
local terms energy: -482.320034
where:
bonds (distance) C4'-P energy: -89.803
bonds (distance) P-C4' energy: -88.418
flat angles C4'-P-C4' energy: -101.960
flat angles P-C4'-P energy: -70.736
tors. eta vs tors. theta energy: -131.402
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: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1568.587665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.587665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.587665 (E_RNA)
where:
Base-Base interactions energy: -1082.362
where: short stacking energy: -447.725
Base-Backbone interact. energy: -3.038
local terms energy: -483.187837
where:
bonds (distance) C4'-P energy: -85.784
bonds (distance) P-C4' energy: -94.153
flat angles C4'-P-C4' energy: -99.396
flat angles P-C4'-P energy: -71.809
tors. eta vs tors. theta energy: -132.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1412.137522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.137522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.137522 (E_RNA)
where:
Base-Base interactions energy: -968.070
where: short stacking energy: -419.011
Base-Backbone interact. energy: -3.565
local terms energy: -440.502274
where:
bonds (distance) C4'-P energy: -86.593
bonds (distance) P-C4' energy: -82.689
flat angles C4'-P-C4' energy: -96.972
flat angles P-C4'-P energy: -53.708
tors. eta vs tors. theta energy: -120.540
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: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1264.855499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.855499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.855499 (E_RNA)
where:
Base-Base interactions energy: -853.611
where: short stacking energy: -392.033
Base-Backbone interact. energy: -0.619
local terms energy: -410.625395
where:
bonds (distance) C4'-P energy: -82.629
bonds (distance) P-C4' energy: -83.292
flat angles C4'-P-C4' energy: -85.548
flat angles P-C4'-P energy: -59.409
tors. eta vs tors. theta energy: -99.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1188.762868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.762868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.762868 (E_RNA)
where:
Base-Base interactions energy: -817.981
where: short stacking energy: -354.520
Base-Backbone interact. energy: -1.950
local terms energy: -368.832281
where:
bonds (distance) C4'-P energy: -77.759
bonds (distance) P-C4' energy: -78.285
flat angles C4'-P-C4' energy: -86.969
flat angles P-C4'-P energy: -40.988
tors. eta vs tors. theta energy: -84.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -877.234233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.234233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.234233 (E_RNA)
where:
Base-Base interactions energy: -554.865
where: short stacking energy: -262.832
Base-Backbone interact. energy: 8.634
local terms energy: -331.002933
where:
bonds (distance) C4'-P energy: -99.273
bonds (distance) P-C4' energy: -69.595
flat angles C4'-P-C4' energy: -83.008
flat angles P-C4'-P energy: -36.860
tors. eta vs tors. theta energy: -42.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1845.813332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.813332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.813332 (E_RNA)
where:
Base-Base interactions energy: -1301.343
where: short stacking energy: -553.998
Base-Backbone interact. energy: -2.783
local terms energy: -541.687838
where:
bonds (distance) C4'-P energy: -103.221
bonds (distance) P-C4' energy: -91.644
flat angles C4'-P-C4' energy: -107.073
flat angles P-C4'-P energy: -76.703
tors. eta vs tors. theta energy: -163.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1807.391298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.391298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.391298 (E_RNA)
where:
Base-Base interactions energy: -1264.426
where: short stacking energy: -537.388
Base-Backbone interact. energy: -0.515
local terms energy: -542.449926
where:
bonds (distance) C4'-P energy: -98.833
bonds (distance) P-C4' energy: -96.017
flat angles C4'-P-C4' energy: -109.563
flat angles P-C4'-P energy: -77.480
tors. eta vs tors. theta energy: -160.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1728.306923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.306923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.306923 (E_RNA)
where:
Base-Base interactions energy: -1222.705
where: short stacking energy: -480.919
Base-Backbone interact. energy: -1.955
local terms energy: -503.646559
where:
bonds (distance) C4'-P energy: -87.385
bonds (distance) P-C4' energy: -107.362
flat angles C4'-P-C4' energy: -107.321
flat angles P-C4'-P energy: -70.962
tors. eta vs tors. theta energy: -130.615
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: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1722.955233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.955233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.955233 (E_RNA)
where:
Base-Base interactions energy: -1210.844
where: short stacking energy: -504.386
Base-Backbone interact. energy: -0.850
local terms energy: -511.260840
where:
bonds (distance) C4'-P energy: -86.297
bonds (distance) P-C4' energy: -96.884
flat angles C4'-P-C4' energy: -107.295
flat angles P-C4'-P energy: -79.054
tors. eta vs tors. theta energy: -141.731
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: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1622.448709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.448709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.448709 (E_RNA)
where:
Base-Base interactions energy: -1129.805
where: short stacking energy: -448.947
Base-Backbone interact. energy: -0.707
local terms energy: -491.936765
where:
bonds (distance) C4'-P energy: -84.967
bonds (distance) P-C4' energy: -103.663
flat angles C4'-P-C4' energy: -103.952
flat angles P-C4'-P energy: -65.956
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: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1545.125130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.125130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.125130 (E_RNA)
where:
Base-Base interactions energy: -1074.607
where: short stacking energy: -460.986
Base-Backbone interact. energy: -0.812
local terms energy: -469.706797
where:
bonds (distance) C4'-P energy: -76.492
bonds (distance) P-C4' energy: -89.496
flat angles C4'-P-C4' energy: -103.642
flat angles P-C4'-P energy: -70.153
tors. eta vs tors. theta energy: -129.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1430.476328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.476328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.476328 (E_RNA)
where:
Base-Base interactions energy: -1020.540
where: short stacking energy: -417.932
Base-Backbone interact. energy: 3.961
local terms energy: -413.898124
where:
bonds (distance) C4'-P energy: -78.125
bonds (distance) P-C4' energy: -59.851
flat angles C4'-P-C4' energy: -99.379
flat angles P-C4'-P energy: -56.324
tors. eta vs tors. theta energy: -120.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1278.811814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.811814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.811814 (E_RNA)
where:
Base-Base interactions energy: -858.885
where: short stacking energy: -380.207
Base-Backbone interact. energy: -0.318
local terms energy: -419.608253
where:
bonds (distance) C4'-P energy: -76.437
bonds (distance) P-C4' energy: -90.729
flat angles C4'-P-C4' energy: -86.164
flat angles P-C4'-P energy: -63.905
tors. eta vs tors. theta energy: -102.374
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: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1106.314371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.314371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.314371 (E_RNA)
where:
Base-Base interactions energy: -732.357
where: short stacking energy: -304.729
Base-Backbone interact. energy: -2.259
local terms energy: -371.699020
where:
bonds (distance) C4'-P energy: -86.216
bonds (distance) P-C4' energy: -90.620
flat angles C4'-P-C4' energy: -92.756
flat angles P-C4'-P energy: -41.866
tors. eta vs tors. theta energy: -60.242
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: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -921.003892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.003892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.003892 (E_RNA)
where:
Base-Base interactions energy: -584.482
where: short stacking energy: -289.985
Base-Backbone interact. energy: -1.737
local terms energy: -334.784652
where:
bonds (distance) C4'-P energy: -76.019
bonds (distance) P-C4' energy: -81.450
flat angles C4'-P-C4' energy: -71.835
flat angles P-C4'-P energy: -51.033
tors. eta vs tors. theta energy: -54.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1848.825611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.825611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.825611 (E_RNA)
where:
Base-Base interactions energy: -1287.310
where: short stacking energy: -537.438
Base-Backbone interact. energy: 0.811
local terms energy: -562.326243
where:
bonds (distance) C4'-P energy: -99.392
bonds (distance) P-C4' energy: -112.055
flat angles C4'-P-C4' energy: -118.067
flat angles P-C4'-P energy: -74.590
tors. eta vs tors. theta energy: -158.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1817.956292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.956292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.956292 (E_RNA)
where:
Base-Base interactions energy: -1298.754
where: short stacking energy: -518.759
Base-Backbone interact. energy: 2.023
local terms energy: -521.225256
where:
bonds (distance) C4'-P energy: -98.576
bonds (distance) P-C4' energy: -83.884
flat angles C4'-P-C4' energy: -112.882
flat angles P-C4'-P energy: -74.790
tors. eta vs tors. theta energy: -151.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1758.908320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.908320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.908320 (E_RNA)
where:
Base-Base interactions energy: -1263.189
where: short stacking energy: -520.012
Base-Backbone interact. energy: 0.009
local terms energy: -495.728088
where:
bonds (distance) C4'-P energy: -92.171
bonds (distance) P-C4' energy: -87.603
flat angles C4'-P-C4' energy: -97.880
flat angles P-C4'-P energy: -72.273
tors. eta vs tors. theta energy: -145.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1677.524860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.524860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.524860 (E_RNA)
where:
Base-Base interactions energy: -1172.883
where: short stacking energy: -487.737
Base-Backbone interact. energy: -3.059
local terms energy: -501.582792
where:
bonds (distance) C4'-P energy: -102.318
bonds (distance) P-C4' energy: -96.159
flat angles C4'-P-C4' energy: -104.315
flat angles P-C4'-P energy: -66.484
tors. eta vs tors. theta energy: -132.307
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: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1641.752711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.752711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.752711 (E_RNA)
where:
Base-Base interactions energy: -1177.373
where: short stacking energy: -479.017
Base-Backbone interact. energy: -1.500
local terms energy: -462.879930
where:
bonds (distance) C4'-P energy: -74.834
bonds (distance) P-C4' energy: -90.506
flat angles C4'-P-C4' energy: -102.090
flat angles P-C4'-P energy: -68.211
tors. eta vs tors. theta energy: -127.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1526.695292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.695292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.695292 (E_RNA)
where:
Base-Base interactions energy: -1078.326
where: short stacking energy: -473.745
Base-Backbone interact. energy: -1.647
local terms energy: -446.721944
where:
bonds (distance) C4'-P energy: -80.436
bonds (distance) P-C4' energy: -84.417
flat angles C4'-P-C4' energy: -90.066
flat angles P-C4'-P energy: -59.423
tors. eta vs tors. theta energy: -132.380
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: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1442.647270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.647270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.647270 (E_RNA)
where:
Base-Base interactions energy: -1024.095
where: short stacking energy: -427.323
Base-Backbone interact. energy: 1.224
local terms energy: -419.776275
where:
bonds (distance) C4'-P energy: -64.918
bonds (distance) P-C4' energy: -85.466
flat angles C4'-P-C4' energy: -90.748
flat angles P-C4'-P energy: -68.890
tors. eta vs tors. theta energy: -109.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1264.564743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.564743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.564743 (E_RNA)
where:
Base-Base interactions energy: -863.427
where: short stacking energy: -381.130
Base-Backbone interact. energy: -1.281
local terms energy: -399.856941
where:
bonds (distance) C4'-P energy: -84.256
bonds (distance) P-C4' energy: -90.239
flat angles C4'-P-C4' energy: -86.762
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -92.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1161.505037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.505037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.505037 (E_RNA)
where:
Base-Base interactions energy: -788.798
where: short stacking energy: -323.082
Base-Backbone interact. energy: -1.327
local terms energy: -371.380275
where:
bonds (distance) C4'-P energy: -69.858
bonds (distance) P-C4' energy: -70.782
flat angles C4'-P-C4' energy: -94.328
flat angles P-C4'-P energy: -54.124
tors. eta vs tors. theta energy: -82.289
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: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -857.337041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.337041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.337041 (E_RNA)
where:
Base-Base interactions energy: -568.040
where: short stacking energy: -271.498
Base-Backbone interact. energy: -0.442
local terms energy: -288.855464
where:
bonds (distance) C4'-P energy: -53.788
bonds (distance) P-C4' energy: -68.275
flat angles C4'-P-C4' energy: -67.740
flat angles P-C4'-P energy: -48.384
tors. eta vs tors. theta energy: -50.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1844.068813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.068813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.068813 (E_RNA)
where:
Base-Base interactions energy: -1289.705
where: short stacking energy: -548.057
Base-Backbone interact. energy: -0.806
local terms energy: -553.557714
where:
bonds (distance) C4'-P energy: -104.244
bonds (distance) P-C4' energy: -100.624
flat angles C4'-P-C4' energy: -121.116
flat angles P-C4'-P energy: -74.638
tors. eta vs tors. theta energy: -152.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1817.369108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.369108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.369108 (E_RNA)
where:
Base-Base interactions energy: -1274.085
where: short stacking energy: -532.126
Base-Backbone interact. energy: 0.406
local terms energy: -543.690009
where:
bonds (distance) C4'-P energy: -91.543
bonds (distance) P-C4' energy: -102.969
flat angles C4'-P-C4' energy: -114.303
flat angles P-C4'-P energy: -78.599
tors. eta vs tors. theta energy: -156.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1720.355874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.355874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.355874 (E_RNA)
where:
Base-Base interactions energy: -1240.576
where: short stacking energy: -498.554
Base-Backbone interact. energy: -2.270
local terms energy: -477.509901
where:
bonds (distance) C4'-P energy: -87.306
bonds (distance) P-C4' energy: -84.785
flat angles C4'-P-C4' energy: -97.098
flat angles P-C4'-P energy: -69.782
tors. eta vs tors. theta energy: -138.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1649.327920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.327920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.327920 (E_RNA)
where:
Base-Base interactions energy: -1160.516
where: short stacking energy: -466.698
Base-Backbone interact. energy: -0.771
local terms energy: -488.040779
where:
bonds (distance) C4'-P energy: -87.605
bonds (distance) P-C4' energy: -95.716
flat angles C4'-P-C4' energy: -110.287
flat angles P-C4'-P energy: -56.564
tors. eta vs tors. theta energy: -137.869
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: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1641.682466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.682466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.682466 (E_RNA)
where:
Base-Base interactions energy: -1161.114
where: short stacking energy: -468.082
Base-Backbone interact. energy: -0.838
local terms energy: -479.730811
where:
bonds (distance) C4'-P energy: -91.022
bonds (distance) P-C4' energy: -90.901
flat angles C4'-P-C4' energy: -100.422
flat angles P-C4'-P energy: -70.450
tors. eta vs tors. theta energy: -126.935
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: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1564.724901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.724901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.724901 (E_RNA)
where:
Base-Base interactions energy: -1104.815
where: short stacking energy: -435.542
Base-Backbone interact. energy: -1.172
local terms energy: -458.737814
where:
bonds (distance) C4'-P energy: -89.361
bonds (distance) P-C4' energy: -81.283
flat angles C4'-P-C4' energy: -98.552
flat angles P-C4'-P energy: -68.206
tors. eta vs tors. theta energy: -121.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1419.827366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.827366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.827366 (E_RNA)
where:
Base-Base interactions energy: -1008.103
where: short stacking energy: -411.621
Base-Backbone interact. energy: 1.073
local terms energy: -412.797340
where:
bonds (distance) C4'-P energy: -64.921
bonds (distance) P-C4' energy: -84.480
flat angles C4'-P-C4' energy: -92.247
flat angles P-C4'-P energy: -63.609
tors. eta vs tors. theta energy: -107.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1144.624688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.624688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.624688 (E_RNA)
where:
Base-Base interactions energy: -778.486
where: short stacking energy: -308.388
Base-Backbone interact. energy: -1.943
local terms energy: -364.195345
where:
bonds (distance) C4'-P energy: -67.183
bonds (distance) P-C4' energy: -89.874
flat angles C4'-P-C4' energy: -78.243
flat angles P-C4'-P energy: -56.219
tors. eta vs tors. theta energy: -72.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1181.284551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.284551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.284551 (E_RNA)
where:
Base-Base interactions energy: -825.817
where: short stacking energy: -351.992
Base-Backbone interact. energy: 0.300
local terms energy: -355.767538
where:
bonds (distance) C4'-P energy: -71.255
bonds (distance) P-C4' energy: -67.450
flat angles C4'-P-C4' energy: -76.308
flat angles P-C4'-P energy: -53.428
tors. eta vs tors. theta energy: -87.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -871.153189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.153189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.153189 (E_RNA)
where:
Base-Base interactions energy: -546.646
where: short stacking energy: -242.639
Base-Backbone interact. energy: 0.515
local terms energy: -325.022192
where:
bonds (distance) C4'-P energy: -82.536
bonds (distance) P-C4' energy: -85.397
flat angles C4'-P-C4' energy: -84.448
flat angles P-C4'-P energy: -47.256
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1838.938534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.938534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.938534 (E_RNA)
where:
Base-Base interactions energy: -1289.900
where: short stacking energy: -553.648
Base-Backbone interact. energy: -2.631
local terms energy: -546.408032
where:
bonds (distance) C4'-P energy: -94.030
bonds (distance) P-C4' energy: -97.003
flat angles C4'-P-C4' energy: -114.376
flat angles P-C4'-P energy: -79.738
tors. eta vs tors. theta energy: -161.261
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: 210
Temperature: 0.950000
Total energy: -1798.759961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.759961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.759961 (E_RNA)
where:
Base-Base interactions energy: -1269.605
where: short stacking energy: -523.389
Base-Backbone interact. energy: -1.750
local terms energy: -527.404718
where:
bonds (distance) C4'-P energy: -93.484
bonds (distance) P-C4' energy: -100.457
flat angles C4'-P-C4' energy: -114.743
flat angles P-C4'-P energy: -71.148
tors. eta vs tors. theta energy: -147.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1726.476762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.476762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.476762 (E_RNA)
where:
Base-Base interactions energy: -1230.248
where: short stacking energy: -506.257
Base-Backbone interact. energy: -1.586
local terms energy: -494.642673
where:
bonds (distance) C4'-P energy: -100.699
bonds (distance) P-C4' energy: -86.440
flat angles C4'-P-C4' energy: -106.741
flat angles P-C4'-P energy: -57.842
tors. eta vs tors. theta energy: -142.920
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: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1681.709815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.709815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.709815 (E_RNA)
where:
Base-Base interactions energy: -1176.388
where: short stacking energy: -502.178
Base-Backbone interact. energy: -0.949
local terms energy: -504.372595
where:
bonds (distance) C4'-P energy: -87.575
bonds (distance) P-C4' energy: -88.627
flat angles C4'-P-C4' energy: -113.657
flat angles P-C4'-P energy: -75.141
tors. eta vs tors. theta energy: -139.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1637.855951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.855951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.855951 (E_RNA)
where:
Base-Base interactions energy: -1157.060
where: short stacking energy: -474.350
Base-Backbone interact. energy: -3.932
local terms energy: -476.864487
where:
bonds (distance) C4'-P energy: -84.245
bonds (distance) P-C4' energy: -81.165
flat angles C4'-P-C4' energy: -108.044
flat angles P-C4'-P energy: -69.575
tors. eta vs tors. theta energy: -133.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1576.067293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.067293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.067293 (E_RNA)
where:
Base-Base interactions energy: -1099.615
where: short stacking energy: -468.272
Base-Backbone interact. energy: 1.376
local terms energy: -477.828387
where:
bonds (distance) C4'-P energy: -87.560
bonds (distance) P-C4' energy: -90.019
flat angles C4'-P-C4' energy: -101.022
flat angles P-C4'-P energy: -61.922
tors. eta vs tors. theta energy: -137.305
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: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1419.710783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.710783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.710783 (E_RNA)
where:
Base-Base interactions energy: -1005.794
where: short stacking energy: -393.568
Base-Backbone interact. energy: -1.370
local terms energy: -412.547235
where:
bonds (distance) C4'-P energy: -88.522
bonds (distance) P-C4' energy: -69.959
flat angles C4'-P-C4' energy: -97.545
flat angles P-C4'-P energy: -55.574
tors. eta vs tors. theta energy: -100.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1171.135580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.135580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.135580 (E_RNA)
where:
Base-Base interactions energy: -810.265
where: short stacking energy: -353.369
Base-Backbone interact. energy: 4.432
local terms energy: -365.302974
where:
bonds (distance) C4'-P energy: -65.430
bonds (distance) P-C4' energy: -70.146
flat angles C4'-P-C4' energy: -90.201
flat angles P-C4'-P energy: -59.198
tors. eta vs tors. theta energy: -80.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1210.404315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.404315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.404315 (E_RNA)
where:
Base-Base interactions energy: -810.192
where: short stacking energy: -335.640
Base-Backbone interact. energy: -0.821
local terms energy: -399.391236
where:
bonds (distance) C4'-P energy: -78.631
bonds (distance) P-C4' energy: -84.948
flat angles C4'-P-C4' energy: -100.185
flat angles P-C4'-P energy: -59.730
tors. eta vs tors. theta energy: -75.898
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: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -836.433061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.433061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.433061 (E_RNA)
where:
Base-Base interactions energy: -527.204
where: short stacking energy: -243.390
Base-Backbone interact. energy: 2.539
local terms energy: -311.767601
where:
bonds (distance) C4'-P energy: -52.686
bonds (distance) P-C4' energy: -91.970
flat angles C4'-P-C4' energy: -76.659
flat angles P-C4'-P energy: -52.672
tors. eta vs tors. theta energy: -37.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1841.985918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.985918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.985918 (E_RNA)
where:
Base-Base interactions energy: -1306.501
where: short stacking energy: -547.747
Base-Backbone interact. energy: -1.240
local terms energy: -534.245426
where:
bonds (distance) C4'-P energy: -90.416
bonds (distance) P-C4' energy: -90.295
flat angles C4'-P-C4' energy: -115.792
flat angles P-C4'-P energy: -84.580
tors. eta vs tors. theta energy: -153.164
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: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1805.465630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.465630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.465630 (E_RNA)
where:
Base-Base interactions energy: -1290.362
where: short stacking energy: -537.298
Base-Backbone interact. energy: -0.499
local terms energy: -514.604684
where:
bonds (distance) C4'-P energy: -82.225
bonds (distance) P-C4' energy: -91.899
flat angles C4'-P-C4' energy: -109.516
flat angles P-C4'-P energy: -71.948
tors. eta vs tors. theta energy: -159.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1752.273242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.273242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.273242 (E_RNA)
where:
Base-Base interactions energy: -1258.733
where: short stacking energy: -506.132
Base-Backbone interact. energy: -0.121
local terms energy: -493.419557
where:
bonds (distance) C4'-P energy: -97.800
bonds (distance) P-C4' energy: -82.850
flat angles C4'-P-C4' energy: -105.586
flat angles P-C4'-P energy: -60.666
tors. eta vs tors. theta energy: -146.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1677.292014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.292014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.292014 (E_RNA)
where:
Base-Base interactions energy: -1165.758
where: short stacking energy: -506.420
Base-Backbone interact. energy: 0.329
local terms energy: -511.863103
where:
bonds (distance) C4'-P energy: -83.195
bonds (distance) P-C4' energy: -91.792
flat angles C4'-P-C4' energy: -113.343
flat angles P-C4'-P energy: -73.943
tors. eta vs tors. theta energy: -149.590
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: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1632.872144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.872144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.872144 (E_RNA)
where:
Base-Base interactions energy: -1155.863
where: short stacking energy: -493.347
Base-Backbone interact. energy: -1.303
local terms energy: -475.705559
where:
bonds (distance) C4'-P energy: -89.922
bonds (distance) P-C4' energy: -84.323
flat angles C4'-P-C4' energy: -100.313
flat angles P-C4'-P energy: -76.367
tors. eta vs tors. theta energy: -124.780
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: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1535.549590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.549590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.549590 (E_RNA)
where:
Base-Base interactions energy: -1075.178
where: short stacking energy: -444.001
Base-Backbone interact. energy: -1.339
local terms energy: -459.031683
where:
bonds (distance) C4'-P energy: -81.856
bonds (distance) P-C4' energy: -78.082
flat angles C4'-P-C4' energy: -104.092
flat angles P-C4'-P energy: -68.045
tors. eta vs tors. theta energy: -126.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1368.957754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.957754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.957754 (E_RNA)
where:
Base-Base interactions energy: -958.546
where: short stacking energy: -388.818
Base-Backbone interact. energy: -2.996
local terms energy: -407.415880
where:
bonds (distance) C4'-P energy: -76.637
bonds (distance) P-C4' energy: -69.557
flat angles C4'-P-C4' energy: -101.139
flat angles P-C4'-P energy: -53.050
tors. eta vs tors. theta energy: -107.033
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: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1173.690200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.690200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.690200 (E_RNA)
where:
Base-Base interactions energy: -797.840
where: short stacking energy: -346.543
Base-Backbone interact. energy: -0.981
local terms energy: -374.869429
where:
bonds (distance) C4'-P energy: -80.392
bonds (distance) P-C4' energy: -84.387
flat angles C4'-P-C4' energy: -67.364
flat angles P-C4'-P energy: -61.673
tors. eta vs tors. theta energy: -81.054
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: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -1141.616763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.616763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.616763 (E_RNA)
where:
Base-Base interactions energy: -751.121
where: short stacking energy: -308.518
Base-Backbone interact. energy: 1.635
local terms energy: -392.130435
where:
bonds (distance) C4'-P energy: -88.443
bonds (distance) P-C4' energy: -74.512
flat angles C4'-P-C4' energy: -89.139
flat angles P-C4'-P energy: -62.501
tors. eta vs tors. theta energy: -77.536
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: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -868.408865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.408865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.408865 (E_RNA)
where:
Base-Base interactions energy: -526.629
where: short stacking energy: -253.362
Base-Backbone interact. energy: 0.649
local terms energy: -342.428804
where:
bonds (distance) C4'-P energy: -71.398
bonds (distance) P-C4' energy: -87.111
flat angles C4'-P-C4' energy: -95.820
flat angles P-C4'-P energy: -37.801
tors. eta vs tors. theta energy: -50.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1848.115474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.115474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.115474 (E_RNA)
where:
Base-Base interactions energy: -1307.622
where: short stacking energy: -539.185
Base-Backbone interact. energy: -1.428
local terms energy: -539.065068
where:
bonds (distance) C4'-P energy: -93.733
bonds (distance) P-C4' energy: -93.833
flat angles C4'-P-C4' energy: -112.263
flat angles P-C4'-P energy: -86.368
tors. eta vs tors. theta energy: -152.868
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: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1798.175582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.175582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.175582 (E_RNA)
where:
Base-Base interactions energy: -1240.094
where: short stacking energy: -540.728
Base-Backbone interact. energy: -1.341
local terms energy: -556.740980
where:
bonds (distance) C4'-P energy: -102.701
bonds (distance) P-C4' energy: -103.809
flat angles C4'-P-C4' energy: -111.682
flat angles P-C4'-P energy: -87.747
tors. eta vs tors. theta energy: -150.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1738.241489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.241489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.241489 (E_RNA)
where:
Base-Base interactions energy: -1225.050
where: short stacking energy: -492.964
Base-Backbone interact. energy: -4.162
local terms energy: -509.029579
where:
bonds (distance) C4'-P energy: -88.312
bonds (distance) P-C4' energy: -94.673
flat angles C4'-P-C4' energy: -99.045
flat angles P-C4'-P energy: -83.269
tors. eta vs tors. theta energy: -143.730
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: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1667.851090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.851090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.851090 (E_RNA)
where:
Base-Base interactions energy: -1185.179
where: short stacking energy: -491.309
Base-Backbone interact. energy: -0.001
local terms energy: -482.670584
where:
bonds (distance) C4'-P energy: -74.966
bonds (distance) P-C4' energy: -81.002
flat angles C4'-P-C4' energy: -105.178
flat angles P-C4'-P energy: -78.911
tors. eta vs tors. theta energy: -142.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1629.823092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.823092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.823092 (E_RNA)
where:
Base-Base interactions energy: -1134.900
where: short stacking energy: -451.614
Base-Backbone interact. energy: -0.875
local terms energy: -494.047636
where:
bonds (distance) C4'-P energy: -96.268
bonds (distance) P-C4' energy: -98.233
flat angles C4'-P-C4' energy: -100.047
flat angles P-C4'-P energy: -66.523
tors. eta vs tors. theta energy: -132.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1500.048365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.048365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.048365 (E_RNA)
where:
Base-Base interactions energy: -1056.440
where: short stacking energy: -442.727
Base-Backbone interact. energy: -0.892
local terms energy: -442.715502
where:
bonds (distance) C4'-P energy: -68.070
bonds (distance) P-C4' energy: -94.835
flat angles C4'-P-C4' energy: -84.230
flat angles P-C4'-P energy: -69.183
tors. eta vs tors. theta energy: -126.397
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: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1469.924418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.924418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.924418 (E_RNA)
where:
Base-Base interactions energy: -1027.759
where: short stacking energy: -417.280
Base-Backbone interact. energy: -0.301
local terms energy: -441.864241
where:
bonds (distance) C4'-P energy: -84.503
bonds (distance) P-C4' energy: -75.297
flat angles C4'-P-C4' energy: -102.391
flat angles P-C4'-P energy: -61.645
tors. eta vs tors. theta energy: -118.029
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: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1156.634126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.634126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.634126 (E_RNA)
where:
Base-Base interactions energy: -783.187
where: short stacking energy: -324.877
Base-Backbone interact. energy: 0.221
local terms energy: -373.668298
where:
bonds (distance) C4'-P energy: -65.272
bonds (distance) P-C4' energy: -78.211
flat angles C4'-P-C4' energy: -94.120
flat angles P-C4'-P energy: -64.432
tors. eta vs tors. theta energy: -71.633
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: 9, replica: 3
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1170.221168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.221168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.221168 (E_RNA)
where:
Base-Base interactions energy: -804.758
where: short stacking energy: -342.848
Base-Backbone interact. energy: 0.574
local terms energy: -366.037318
where:
bonds (distance) C4'-P energy: -76.184
bonds (distance) P-C4' energy: -72.697
flat angles C4'-P-C4' energy: -82.354
flat angles P-C4'-P energy: -48.957
tors. eta vs tors. theta energy: -85.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -853.202590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.202590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.202590 (E_RNA)
where:
Base-Base interactions energy: -506.666
where: short stacking energy: -233.995
Base-Backbone interact. energy: -2.172
local terms energy: -344.364749
where:
bonds (distance) C4'-P energy: -74.660
bonds (distance) P-C4' energy: -79.098
flat angles C4'-P-C4' energy: -85.116
flat angles P-C4'-P energy: -61.928
tors. eta vs tors. theta energy: -43.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1832.476013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.476013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.476013 (E_RNA)
where:
Base-Base interactions energy: -1280.082
where: short stacking energy: -533.634
Base-Backbone interact. energy: -0.454
local terms energy: -551.940010
where:
bonds (distance) C4'-P energy: -95.926
bonds (distance) P-C4' energy: -105.236
flat angles C4'-P-C4' energy: -108.374
flat angles P-C4'-P energy: -90.149
tors. eta vs tors. theta energy: -152.255
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: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1787.133970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.133970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.133970 (E_RNA)
where:
Base-Base interactions energy: -1243.655
where: short stacking energy: -499.005
Base-Backbone interact. energy: -2.908
local terms energy: -540.570738
where:
bonds (distance) C4'-P energy: -94.341
bonds (distance) P-C4' energy: -107.067
flat angles C4'-P-C4' energy: -105.558
flat angles P-C4'-P energy: -86.514
tors. eta vs tors. theta energy: -147.090
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: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1726.066610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.066610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.066610 (E_RNA)
where:
Base-Base interactions energy: -1220.948
where: short stacking energy: -502.498
Base-Backbone interact. energy: -2.719
local terms energy: -502.399232
where:
bonds (distance) C4'-P energy: -78.992
bonds (distance) P-C4' energy: -82.922
flat angles C4'-P-C4' energy: -115.345
flat angles P-C4'-P energy: -78.542
tors. eta vs tors. theta energy: -146.598
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: 213
Temperature: 1.050000
Total energy: -1676.752201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.752201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.752201 (E_RNA)
where:
Base-Base interactions energy: -1184.765
where: short stacking energy: -495.070
Base-Backbone interact. energy: -0.164
local terms energy: -491.822882
where:
bonds (distance) C4'-P energy: -90.780
bonds (distance) P-C4' energy: -98.248
flat angles C4'-P-C4' energy: -101.900
flat angles P-C4'-P energy: -68.487
tors. eta vs tors. theta energy: -132.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1655.744970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.744970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.744970 (E_RNA)
where:
Base-Base interactions energy: -1159.868
where: short stacking energy: -478.794
Base-Backbone interact. energy: -1.323
local terms energy: -494.553902
where:
bonds (distance) C4'-P energy: -91.712
bonds (distance) P-C4' energy: -98.927
flat angles C4'-P-C4' energy: -97.660
flat angles P-C4'-P energy: -73.654
tors. eta vs tors. theta energy: -132.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1542.202190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.202190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.202190 (E_RNA)
where:
Base-Base interactions energy: -1082.630
where: short stacking energy: -443.755
Base-Backbone interact. energy: -1.533
local terms energy: -458.039151
where:
bonds (distance) C4'-P energy: -75.778
bonds (distance) P-C4' energy: -90.013
flat angles C4'-P-C4' energy: -103.034
flat angles P-C4'-P energy: -63.215
tors. eta vs tors. theta energy: -125.999
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: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1504.243079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.243079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.243079 (E_RNA)
where:
Base-Base interactions energy: -1049.361
where: short stacking energy: -433.788
Base-Backbone interact. energy: -2.615
local terms energy: -452.266812
where:
bonds (distance) C4'-P energy: -90.580
bonds (distance) P-C4' energy: -82.775
flat angles C4'-P-C4' energy: -103.884
flat angles P-C4'-P energy: -72.454
tors. eta vs tors. theta energy: -102.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1196.067098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.067098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.067098 (E_RNA)
where:
Base-Base interactions energy: -805.030
where: short stacking energy: -360.465
Base-Backbone interact. energy: 0.231
local terms energy: -391.268724
where:
bonds (distance) C4'-P energy: -65.819
bonds (distance) P-C4' energy: -70.315
flat angles C4'-P-C4' energy: -103.274
flat angles P-C4'-P energy: -56.859
tors. eta vs tors. theta energy: -95.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1068.824957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.824957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.824957 (E_RNA)
where:
Base-Base interactions energy: -739.281
where: short stacking energy: -305.156
Base-Backbone interact. energy: -0.135
local terms energy: -329.409245
where:
bonds (distance) C4'-P energy: -63.917
bonds (distance) P-C4' energy: -73.032
flat angles C4'-P-C4' energy: -80.878
flat angles P-C4'-P energy: -50.331
tors. eta vs tors. theta energy: -61.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -902.208723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.208723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.208723 (E_RNA)
where:
Base-Base interactions energy: -569.478
where: short stacking energy: -252.929
Base-Backbone interact. energy: -1.537
local terms energy: -331.194190
where:
bonds (distance) C4'-P energy: -87.309
bonds (distance) P-C4' energy: -73.056
flat angles C4'-P-C4' energy: -81.519
flat angles P-C4'-P energy: -54.437
tors. eta vs tors. theta energy: -34.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1831.536602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.536602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.536602 (E_RNA)
where:
Base-Base interactions energy: -1296.882
where: short stacking energy: -531.313
Base-Backbone interact. energy: -0.945
local terms energy: -533.709361
where:
bonds (distance) C4'-P energy: -94.005
bonds (distance) P-C4' energy: -100.918
flat angles C4'-P-C4' energy: -116.090
flat angles P-C4'-P energy: -72.112
tors. eta vs tors. theta energy: -150.585
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: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1760.419228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.419228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.419228 (E_RNA)
where:
Base-Base interactions energy: -1256.873
where: short stacking energy: -497.897
Base-Backbone interact. energy: -0.670
local terms energy: -502.875970
where:
bonds (distance) C4'-P energy: -83.311
bonds (distance) P-C4' energy: -101.612
flat angles C4'-P-C4' energy: -105.271
flat angles P-C4'-P energy: -72.133
tors. eta vs tors. theta energy: -140.549
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: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1752.130711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.130711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.130711 (E_RNA)
where:
Base-Base interactions energy: -1221.546
where: short stacking energy: -537.671
Base-Backbone interact. energy: -2.597
local terms energy: -527.988515
where:
bonds (distance) C4'-P energy: -84.793
bonds (distance) P-C4' energy: -99.021
flat angles C4'-P-C4' energy: -113.029
flat angles P-C4'-P energy: -74.108
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: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1691.370269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.370269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.370269 (E_RNA)
where:
Base-Base interactions energy: -1203.903
where: short stacking energy: -503.361
Base-Backbone interact. energy: -0.929
local terms energy: -486.538044
where:
bonds (distance) C4'-P energy: -82.340
bonds (distance) P-C4' energy: -68.350
flat angles C4'-P-C4' energy: -114.176
flat angles P-C4'-P energy: -81.404
tors. eta vs tors. theta energy: -140.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1641.461789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.461789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.461789 (E_RNA)
where:
Base-Base interactions energy: -1182.406
where: short stacking energy: -469.790
Base-Backbone interact. energy: 0.168
local terms energy: -459.223797
where:
bonds (distance) C4'-P energy: -88.023
bonds (distance) P-C4' energy: -63.886
flat angles C4'-P-C4' energy: -108.029
flat angles P-C4'-P energy: -64.920
tors. eta vs tors. theta energy: -134.365
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: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1526.858329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.858329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.858329 (E_RNA)
where:
Base-Base interactions energy: -1094.015
where: short stacking energy: -425.449
Base-Backbone interact. energy: -2.107
local terms energy: -430.736323
where:
bonds (distance) C4'-P energy: -71.966
bonds (distance) P-C4' energy: -92.678
flat angles C4'-P-C4' energy: -83.575
flat angles P-C4'-P energy: -60.992
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: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1495.403496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.403496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.403496 (E_RNA)
where:
Base-Base interactions energy: -1044.723
where: short stacking energy: -425.679
Base-Backbone interact. energy: -2.169
local terms energy: -448.511827
where:
bonds (distance) C4'-P energy: -88.669
bonds (distance) P-C4' energy: -71.848
flat angles C4'-P-C4' energy: -89.688
flat angles P-C4'-P energy: -71.639
tors. eta vs tors. theta energy: -126.668
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: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1231.397321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.397321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.397321 (E_RNA)
where:
Base-Base interactions energy: -847.051
where: short stacking energy: -364.556
Base-Backbone interact. energy: -0.854
local terms energy: -383.492402
where:
bonds (distance) C4'-P energy: -70.881
bonds (distance) P-C4' energy: -85.413
flat angles C4'-P-C4' energy: -95.167
flat angles P-C4'-P energy: -53.725
tors. eta vs tors. theta energy: -78.306
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: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1072.376553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.376553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.376553 (E_RNA)
where:
Base-Base interactions energy: -724.227
where: short stacking energy: -294.770
Base-Backbone interact. energy: -2.850
local terms energy: -345.299532
where:
bonds (distance) C4'-P energy: -74.006
bonds (distance) P-C4' energy: -72.616
flat angles C4'-P-C4' energy: -81.045
flat angles P-C4'-P energy: -57.457
tors. eta vs tors. theta energy: -60.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -913.329869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.329869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.329869 (E_RNA)
where:
Base-Base interactions energy: -590.593
where: short stacking energy: -259.931
Base-Backbone interact. energy: -1.734
local terms energy: -321.002724
where:
bonds (distance) C4'-P energy: -78.796
bonds (distance) P-C4' energy: -79.085
flat angles C4'-P-C4' energy: -76.598
flat angles P-C4'-P energy: -49.645
tors. eta vs tors. theta energy: -36.879
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: 215
Temperature: 0.900000
Total energy: -1857.724736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.724736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.724736 (E_RNA)
where:
Base-Base interactions energy: -1320.917
where: short stacking energy: -556.188
Base-Backbone interact. energy: 0.028
local terms energy: -536.835105
where:
bonds (distance) C4'-P energy: -94.112
bonds (distance) P-C4' energy: -91.933
flat angles C4'-P-C4' energy: -115.503
flat angles P-C4'-P energy: -80.380
tors. eta vs tors. theta energy: -154.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1799.278616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.278616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.278616 (E_RNA)
where:
Base-Base interactions energy: -1275.375
where: short stacking energy: -527.674
Base-Backbone interact. energy: -1.476
local terms energy: -522.427278
where:
bonds (distance) C4'-P energy: -88.848
bonds (distance) P-C4' energy: -103.071
flat angles C4'-P-C4' energy: -100.897
flat angles P-C4'-P energy: -81.796
tors. eta vs tors. theta energy: -147.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1721.797557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.797557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.797557 (E_RNA)
where:
Base-Base interactions energy: -1228.508
where: short stacking energy: -495.433
Base-Backbone interact. energy: 1.040
local terms energy: -494.329643
where:
bonds (distance) C4'-P energy: -84.661
bonds (distance) P-C4' energy: -79.631
flat angles C4'-P-C4' energy: -108.754
flat angles P-C4'-P energy: -74.563
tors. eta vs tors. theta energy: -146.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1680.548680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.548680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.548680 (E_RNA)
where:
Base-Base interactions energy: -1192.555
where: short stacking energy: -495.986
Base-Backbone interact. energy: -2.003
local terms energy: -485.991040
where:
bonds (distance) C4'-P energy: -83.343
bonds (distance) P-C4' energy: -86.941
flat angles C4'-P-C4' energy: -101.886
flat angles P-C4'-P energy: -77.055
tors. eta vs tors. theta energy: -136.766
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: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1642.523943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.523943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.523943 (E_RNA)
where:
Base-Base interactions energy: -1181.848
where: short stacking energy: -492.160
Base-Backbone interact. energy: -1.752
local terms energy: -458.923968
where:
bonds (distance) C4'-P energy: -76.511
bonds (distance) P-C4' energy: -84.519
flat angles C4'-P-C4' energy: -100.693
flat angles P-C4'-P energy: -67.780
tors. eta vs tors. theta energy: -129.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1556.086162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.086162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.086162 (E_RNA)
where:
Base-Base interactions energy: -1090.718
where: short stacking energy: -466.334
Base-Backbone interact. energy: 0.153
local terms energy: -465.521554
where:
bonds (distance) C4'-P energy: -81.732
bonds (distance) P-C4' energy: -72.546
flat angles C4'-P-C4' energy: -99.394
flat angles P-C4'-P energy: -75.680
tors. eta vs tors. theta energy: -136.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1485.136535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.136535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.136535 (E_RNA)
where:
Base-Base interactions energy: -1062.425
where: short stacking energy: -429.825
Base-Backbone interact. energy: -1.429
local terms energy: -421.282220
where:
bonds (distance) C4'-P energy: -75.712
bonds (distance) P-C4' energy: -73.582
flat angles C4'-P-C4' energy: -94.019
flat angles P-C4'-P energy: -63.075
tors. eta vs tors. theta energy: -114.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1078.496195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.496195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.496195 (E_RNA)
where:
Base-Base interactions energy: -711.439
where: short stacking energy: -315.280
Base-Backbone interact. energy: 0.354
local terms energy: -367.411277
where:
bonds (distance) C4'-P energy: -83.906
bonds (distance) P-C4' energy: -84.333
flat angles C4'-P-C4' energy: -81.592
flat angles P-C4'-P energy: -51.349
tors. eta vs tors. theta energy: -66.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1144.498129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.498129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.498129 (E_RNA)
where:
Base-Base interactions energy: -776.963
where: short stacking energy: -342.255
Base-Backbone interact. energy: -0.421
local terms energy: -367.113696
where:
bonds (distance) C4'-P energy: -76.325
bonds (distance) P-C4' energy: -82.204
flat angles C4'-P-C4' energy: -94.775
flat angles P-C4'-P energy: -42.389
tors. eta vs tors. theta energy: -71.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -928.053113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.053113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.053113 (E_RNA)
where:
Base-Base interactions energy: -639.827
where: short stacking energy: -288.207
Base-Backbone interact. energy: -0.182
local terms energy: -288.044712
where:
bonds (distance) C4'-P energy: -62.121
bonds (distance) P-C4' energy: -73.596
flat angles C4'-P-C4' energy: -67.268
flat angles P-C4'-P energy: -38.403
tors. eta vs tors. theta energy: -46.657
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: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1788.410491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.410491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.410491 (E_RNA)
where:
Base-Base interactions energy: -1270.709
where: short stacking energy: -531.109
Base-Backbone interact. energy: -2.645
local terms energy: -515.056624
where:
bonds (distance) C4'-P energy: -96.586
bonds (distance) P-C4' energy: -85.978
flat angles C4'-P-C4' energy: -112.756
flat angles P-C4'-P energy: -75.108
tors. eta vs tors. theta energy: -144.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1835.902685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.902685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.902685 (E_RNA)
where:
Base-Base interactions energy: -1317.385
where: short stacking energy: -547.551
Base-Backbone interact. energy: -1.033
local terms energy: -517.485094
where:
bonds (distance) C4'-P energy: -81.565
bonds (distance) P-C4' energy: -85.379
flat angles C4'-P-C4' energy: -112.137
flat angles P-C4'-P energy: -79.936
tors. eta vs tors. theta energy: -158.467
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: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1749.005482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.005482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.005482 (E_RNA)
where:
Base-Base interactions energy: -1246.236
where: short stacking energy: -497.267
Base-Backbone interact. energy: 0.899
local terms energy: -503.667879
where:
bonds (distance) C4'-P energy: -95.881
bonds (distance) P-C4' energy: -79.606
flat angles C4'-P-C4' energy: -113.547
flat angles P-C4'-P energy: -76.899
tors. eta vs tors. theta energy: -137.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1670.837020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.837020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.837020 (E_RNA)
where:
Base-Base interactions energy: -1166.841
where: short stacking energy: -489.351
Base-Backbone interact. energy: -1.563
local terms energy: -502.433378
where:
bonds (distance) C4'-P energy: -78.357
bonds (distance) P-C4' energy: -93.758
flat angles C4'-P-C4' energy: -108.137
flat angles P-C4'-P energy: -77.301
tors. eta vs tors. theta energy: -144.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1624.099098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.099098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.099098 (E_RNA)
where:
Base-Base interactions energy: -1152.612
where: short stacking energy: -469.563
Base-Backbone interact. energy: -3.420
local terms energy: -468.067220
where:
bonds (distance) C4'-P energy: -79.115
bonds (distance) P-C4' energy: -89.444
flat angles C4'-P-C4' energy: -103.445
flat angles P-C4'-P energy: -59.879
tors. eta vs tors. theta energy: -136.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1535.460956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.460956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.460956 (E_RNA)
where:
Base-Base interactions energy: -1064.112
where: short stacking energy: -441.860
Base-Backbone interact. energy: -2.705
local terms energy: -468.644172
where:
bonds (distance) C4'-P energy: -86.358
bonds (distance) P-C4' energy: -89.063
flat angles C4'-P-C4' energy: -96.336
flat angles P-C4'-P energy: -65.864
tors. eta vs tors. theta energy: -131.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1452.021855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.021855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.021855 (E_RNA)
where:
Base-Base interactions energy: -1017.372
where: short stacking energy: -414.940
Base-Backbone interact. energy: -1.593
local terms energy: -433.057096
where:
bonds (distance) C4'-P energy: -77.234
bonds (distance) P-C4' energy: -80.794
flat angles C4'-P-C4' energy: -93.811
flat angles P-C4'-P energy: -61.377
tors. eta vs tors. theta energy: -119.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1151.571436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.571436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.571436 (E_RNA)
where:
Base-Base interactions energy: -768.105
where: short stacking energy: -330.922
Base-Backbone interact. energy: 4.892
local terms energy: -388.358845
where:
bonds (distance) C4'-P energy: -78.884
bonds (distance) P-C4' energy: -85.410
flat angles C4'-P-C4' energy: -88.768
flat angles P-C4'-P energy: -62.619
tors. eta vs tors. theta energy: -72.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1130.312590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.312590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.312590 (E_RNA)
where:
Base-Base interactions energy: -751.213
where: short stacking energy: -305.929
Base-Backbone interact. energy: -2.356
local terms energy: -376.743515
where:
bonds (distance) C4'-P energy: -86.472
bonds (distance) P-C4' energy: -69.180
flat angles C4'-P-C4' energy: -96.836
flat angles P-C4'-P energy: -56.781
tors. eta vs tors. theta energy: -67.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -955.086937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.086937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.086937 (E_RNA)
where:
Base-Base interactions energy: -600.712
where: short stacking energy: -268.926
Base-Backbone interact. energy: 0.129
local terms energy: -354.503725
where:
bonds (distance) C4'-P energy: -78.802
bonds (distance) P-C4' energy: -83.102
flat angles C4'-P-C4' energy: -78.906
flat angles P-C4'-P energy: -57.475
tors. eta vs tors. theta energy: -56.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1839.440750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.440750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.440750 (E_RNA)
where:
Base-Base interactions energy: -1325.578
where: short stacking energy: -523.320
Base-Backbone interact. energy: -1.202
local terms energy: -512.659972
where:
bonds (distance) C4'-P energy: -94.466
bonds (distance) P-C4' energy: -93.104
flat angles C4'-P-C4' energy: -112.478
flat angles P-C4'-P energy: -70.916
tors. eta vs tors. theta energy: -141.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1827.939216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.939216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.939216 (E_RNA)
where:
Base-Base interactions energy: -1290.239
where: short stacking energy: -549.879
Base-Backbone interact. energy: -1.214
local terms energy: -536.486522
where:
bonds (distance) C4'-P energy: -90.505
bonds (distance) P-C4' energy: -97.337
flat angles C4'-P-C4' energy: -114.486
flat angles P-C4'-P energy: -75.148
tors. eta vs tors. theta energy: -159.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1735.592287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.592287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.592287 (E_RNA)
where:
Base-Base interactions energy: -1211.600
where: short stacking energy: -487.461
Base-Backbone interact. energy: -2.215
local terms energy: -521.777414
where:
bonds (distance) C4'-P energy: -98.730
bonds (distance) P-C4' energy: -90.099
flat angles C4'-P-C4' energy: -113.621
flat angles P-C4'-P energy: -83.777
tors. eta vs tors. theta energy: -135.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1688.721230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.721230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.721230 (E_RNA)
where:
Base-Base interactions energy: -1193.329
where: short stacking energy: -509.256
Base-Backbone interact. energy: -1.244
local terms energy: -494.147498
where:
bonds (distance) C4'-P energy: -80.649
bonds (distance) P-C4' energy: -89.122
flat angles C4'-P-C4' energy: -111.278
flat angles P-C4'-P energy: -65.574
tors. eta vs tors. theta energy: -147.525
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: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1642.618868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.618868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.618868 (E_RNA)
where:
Base-Base interactions energy: -1169.783
where: short stacking energy: -468.815
Base-Backbone interact. energy: -1.926
local terms energy: -470.909985
where:
bonds (distance) C4'-P energy: -84.282
bonds (distance) P-C4' energy: -80.920
flat angles C4'-P-C4' energy: -111.393
flat angles P-C4'-P energy: -63.876
tors. eta vs tors. theta energy: -130.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1551.345949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.345949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.345949 (E_RNA)
where:
Base-Base interactions energy: -1085.739
where: short stacking energy: -455.358
Base-Backbone interact. energy: 0.621
local terms energy: -466.228176
where:
bonds (distance) C4'-P energy: -92.978
bonds (distance) P-C4' energy: -78.668
flat angles C4'-P-C4' energy: -95.770
flat angles P-C4'-P energy: -66.818
tors. eta vs tors. theta energy: -131.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1422.893537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.893537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.893537 (E_RNA)
where:
Base-Base interactions energy: -1001.512
where: short stacking energy: -415.919
Base-Backbone interact. energy: 0.425
local terms energy: -421.806701
where:
bonds (distance) C4'-P energy: -73.424
bonds (distance) P-C4' energy: -76.989
flat angles C4'-P-C4' energy: -98.678
flat angles P-C4'-P energy: -54.472
tors. eta vs tors. theta energy: -118.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1183.912636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.912636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.912636 (E_RNA)
where:
Base-Base interactions energy: -805.314
where: short stacking energy: -342.762
Base-Backbone interact. energy: -0.350
local terms energy: -378.248067
where:
bonds (distance) C4'-P energy: -71.521
bonds (distance) P-C4' energy: -80.004
flat angles C4'-P-C4' energy: -82.757
flat angles P-C4'-P energy: -63.417
tors. eta vs tors. theta energy: -80.549
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: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -1041.724195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.724195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.724195 (E_RNA)
where:
Base-Base interactions energy: -701.291
where: short stacking energy: -305.472
Base-Backbone interact. energy: -1.155
local terms energy: -339.278668
where:
bonds (distance) C4'-P energy: -71.079
bonds (distance) P-C4' energy: -71.426
flat angles C4'-P-C4' energy: -80.018
flat angles P-C4'-P energy: -46.888
tors. eta vs tors. theta energy: -69.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -884.213020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.213020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.213020 (E_RNA)
where:
Base-Base interactions energy: -547.788
where: short stacking energy: -232.859
Base-Backbone interact. energy: -1.803
local terms energy: -334.621535
where:
bonds (distance) C4'-P energy: -75.148
bonds (distance) P-C4' energy: -78.009
flat angles C4'-P-C4' energy: -89.685
flat angles P-C4'-P energy: -49.374
tors. eta vs tors. theta energy: -42.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1852.268481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.268481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.268481 (E_RNA)
where:
Base-Base interactions energy: -1309.796
where: short stacking energy: -545.499
Base-Backbone interact. energy: 2.773
local terms energy: -545.245396
where:
bonds (distance) C4'-P energy: -96.582
bonds (distance) P-C4' energy: -96.752
flat angles C4'-P-C4' energy: -111.861
flat angles P-C4'-P energy: -81.337
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: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1822.150516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.150516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.150516 (E_RNA)
where:
Base-Base interactions energy: -1281.593
where: short stacking energy: -517.174
Base-Backbone interact. energy: 0.730
local terms energy: -541.287454
where:
bonds (distance) C4'-P energy: -88.646
bonds (distance) P-C4' energy: -93.642
flat angles C4'-P-C4' energy: -113.686
flat angles P-C4'-P energy: -93.128
tors. eta vs tors. theta energy: -152.186
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: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1732.791834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.791834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.791834 (E_RNA)
where:
Base-Base interactions energy: -1219.985
where: short stacking energy: -523.016
Base-Backbone interact. energy: -2.380
local terms energy: -510.427047
where:
bonds (distance) C4'-P energy: -83.794
bonds (distance) P-C4' energy: -104.106
flat angles C4'-P-C4' energy: -101.992
flat angles P-C4'-P energy: -71.027
tors. eta vs tors. theta energy: -149.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1676.931094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.931094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.931094 (E_RNA)
where:
Base-Base interactions energy: -1187.433
where: short stacking energy: -490.483
Base-Backbone interact. energy: 1.081
local terms energy: -490.579766
where:
bonds (distance) C4'-P energy: -95.836
bonds (distance) P-C4' energy: -83.690
flat angles C4'-P-C4' energy: -104.526
flat angles P-C4'-P energy: -60.919
tors. eta vs tors. theta energy: -145.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1596.099141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.099141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.099141 (E_RNA)
where:
Base-Base interactions energy: -1099.981
where: short stacking energy: -443.384
Base-Backbone interact. energy: -2.623
local terms energy: -493.495656
where:
bonds (distance) C4'-P energy: -99.897
bonds (distance) P-C4' energy: -85.465
flat angles C4'-P-C4' energy: -111.576
flat angles P-C4'-P energy: -68.173
tors. eta vs tors. theta energy: -128.385
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: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1576.621330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.621330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.621330 (E_RNA)
where:
Base-Base interactions energy: -1102.135
where: short stacking energy: -441.473
Base-Backbone interact. energy: -1.951
local terms energy: -472.534750
where:
bonds (distance) C4'-P energy: -91.883
bonds (distance) P-C4' energy: -96.039
flat angles C4'-P-C4' energy: -99.913
flat angles P-C4'-P energy: -61.301
tors. eta vs tors. theta energy: -123.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1381.667650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.667650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.667650 (E_RNA)
where:
Base-Base interactions energy: -950.486
where: short stacking energy: -392.271
Base-Backbone interact. energy: -2.832
local terms energy: -428.349855
where:
bonds (distance) C4'-P energy: -80.111
bonds (distance) P-C4' energy: -85.695
flat angles C4'-P-C4' energy: -99.334
flat angles P-C4'-P energy: -61.012
tors. eta vs tors. theta energy: -102.199
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: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1234.277930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.277930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.277930 (E_RNA)
where:
Base-Base interactions energy: -841.829
where: short stacking energy: -355.182
Base-Backbone interact. energy: -2.255
local terms energy: -390.193774
where:
bonds (distance) C4'-P energy: -89.338
bonds (distance) P-C4' energy: -79.675
flat angles C4'-P-C4' energy: -74.821
flat angles P-C4'-P energy: -57.998
tors. eta vs tors. theta energy: -88.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1009.651062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.651062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.651062 (E_RNA)
where:
Base-Base interactions energy: -656.878
where: short stacking energy: -277.461
Base-Backbone interact. energy: -1.795
local terms energy: -350.977498
where:
bonds (distance) C4'-P energy: -69.629
bonds (distance) P-C4' energy: -87.155
flat angles C4'-P-C4' energy: -79.111
flat angles P-C4'-P energy: -59.561
tors. eta vs tors. theta energy: -55.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -910.548994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.548994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.548994 (E_RNA)
where:
Base-Base interactions energy: -581.418
where: short stacking energy: -265.089
Base-Backbone interact. energy: -2.289
local terms energy: -326.842571
where:
bonds (distance) C4'-P energy: -64.940
bonds (distance) P-C4' energy: -78.784
flat angles C4'-P-C4' energy: -81.473
flat angles P-C4'-P energy: -52.209
tors. eta vs tors. theta energy: -49.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1858.648361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.648361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.648361 (E_RNA)
where:
Base-Base interactions energy: -1301.942
where: short stacking energy: -555.031
Base-Backbone interact. energy: -0.610
local terms energy: -556.096876
where:
bonds (distance) C4'-P energy: -87.448
bonds (distance) P-C4' energy: -100.837
flat angles C4'-P-C4' energy: -123.376
flat angles P-C4'-P energy: -86.066
tors. eta vs tors. theta energy: -158.370
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: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1811.334038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.334038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.334038 (E_RNA)
where:
Base-Base interactions energy: -1281.985
where: short stacking energy: -536.150
Base-Backbone interact. energy: -0.448
local terms energy: -528.900849
where:
bonds (distance) C4'-P energy: -94.053
bonds (distance) P-C4' energy: -89.325
flat angles C4'-P-C4' energy: -116.302
flat angles P-C4'-P energy: -79.675
tors. eta vs tors. theta energy: -149.546
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: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1744.604553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.604553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.604553 (E_RNA)
where:
Base-Base interactions energy: -1249.144
where: short stacking energy: -507.800
Base-Backbone interact. energy: -2.210
local terms energy: -493.250610
where:
bonds (distance) C4'-P energy: -75.231
bonds (distance) P-C4' energy: -92.900
flat angles C4'-P-C4' energy: -97.667
flat angles P-C4'-P energy: -85.016
tors. eta vs tors. theta energy: -142.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1714.185343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.185343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.185343 (E_RNA)
where:
Base-Base interactions energy: -1199.365
where: short stacking energy: -500.310
Base-Backbone interact. energy: -1.428
local terms energy: -513.392604
where:
bonds (distance) C4'-P energy: -92.811
bonds (distance) P-C4' energy: -93.015
flat angles C4'-P-C4' energy: -108.302
flat angles P-C4'-P energy: -71.016
tors. eta vs tors. theta energy: -148.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1606.052598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.052598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.052598 (E_RNA)
where:
Base-Base interactions energy: -1128.779
where: short stacking energy: -455.175
Base-Backbone interact. energy: -2.484
local terms energy: -474.789559
where:
bonds (distance) C4'-P energy: -96.132
bonds (distance) P-C4' energy: -92.592
flat angles C4'-P-C4' energy: -92.466
flat angles P-C4'-P energy: -66.121
tors. eta vs tors. theta energy: -127.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1557.831363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.831363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.831363 (E_RNA)
where:
Base-Base interactions energy: -1098.741
where: short stacking energy: -454.275
Base-Backbone interact. energy: -0.712
local terms energy: -458.378369
where:
bonds (distance) C4'-P energy: -70.571
bonds (distance) P-C4' energy: -87.302
flat angles C4'-P-C4' energy: -107.835
flat angles P-C4'-P energy: -67.620
tors. eta vs tors. theta energy: -125.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1414.945488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.945488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.945488 (E_RNA)
where:
Base-Base interactions energy: -984.573
where: short stacking energy: -412.945
Base-Backbone interact. energy: -0.750
local terms energy: -429.622244
where:
bonds (distance) C4'-P energy: -70.503
bonds (distance) P-C4' energy: -92.228
flat angles C4'-P-C4' energy: -91.985
flat angles P-C4'-P energy: -57.076
tors. eta vs tors. theta energy: -117.830
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: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1265.389099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.389099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.389099 (E_RNA)
where:
Base-Base interactions energy: -838.107
where: short stacking energy: -356.358
Base-Backbone interact. energy: -2.714
local terms energy: -424.568026
where:
bonds (distance) C4'-P energy: -88.881
bonds (distance) P-C4' energy: -84.916
flat angles C4'-P-C4' energy: -92.425
flat angles P-C4'-P energy: -64.881
tors. eta vs tors. theta energy: -93.465
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: 3
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1145.391343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.391343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.391343 (E_RNA)
where:
Base-Base interactions energy: -758.831
where: short stacking energy: -310.719
Base-Backbone interact. energy: -0.779
local terms energy: -385.781293
where:
bonds (distance) C4'-P energy: -78.761
bonds (distance) P-C4' energy: -74.768
flat angles C4'-P-C4' energy: -101.747
flat angles P-C4'-P energy: -61.061
tors. eta vs tors. theta energy: -69.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -979.340728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.340728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.340728 (E_RNA)
where:
Base-Base interactions energy: -636.278
where: short stacking energy: -268.773
Base-Backbone interact. energy: 2.092
local terms energy: -345.155055
where:
bonds (distance) C4'-P energy: -77.071
bonds (distance) P-C4' energy: -76.041
flat angles C4'-P-C4' energy: -99.486
flat angles P-C4'-P energy: -37.747
tors. eta vs tors. theta energy: -54.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1852.783273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.783273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.783273 (E_RNA)
where:
Base-Base interactions energy: -1296.104
where: short stacking energy: -552.240
Base-Backbone interact. energy: -1.352
local terms energy: -555.326970
where:
bonds (distance) C4'-P energy: -91.633
bonds (distance) P-C4' energy: -106.893
flat angles C4'-P-C4' energy: -119.809
flat angles P-C4'-P energy: -75.113
tors. eta vs tors. theta energy: -161.878
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: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1784.227258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.227258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.227258 (E_RNA)
where:
Base-Base interactions energy: -1245.704
where: short stacking energy: -521.879
Base-Backbone interact. energy: -0.906
local terms energy: -537.617603
where:
bonds (distance) C4'-P energy: -102.129
bonds (distance) P-C4' energy: -93.419
flat angles C4'-P-C4' energy: -111.904
flat angles P-C4'-P energy: -79.390
tors. eta vs tors. theta energy: -150.775
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: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1765.511666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.511666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.511666 (E_RNA)
where:
Base-Base interactions energy: -1262.868
where: short stacking energy: -533.966
Base-Backbone interact. energy: -1.158
local terms energy: -501.486396
where:
bonds (distance) C4'-P energy: -88.378
bonds (distance) P-C4' energy: -97.534
flat angles C4'-P-C4' energy: -98.568
flat angles P-C4'-P energy: -71.084
tors. eta vs tors. theta energy: -145.921
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: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1709.376729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.376729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.376729 (E_RNA)
where:
Base-Base interactions energy: -1211.543
where: short stacking energy: -512.328
Base-Backbone interact. energy: 5.473
local terms energy: -503.306696
where:
bonds (distance) C4'-P energy: -90.353
bonds (distance) P-C4' energy: -94.212
flat angles C4'-P-C4' energy: -102.517
flat angles P-C4'-P energy: -74.332
tors. eta vs tors. theta energy: -141.892
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: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1583.443796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.443796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.443796 (E_RNA)
where:
Base-Base interactions energy: -1111.703
where: short stacking energy: -465.797
Base-Backbone interact. energy: -1.134
local terms energy: -470.606511
where:
bonds (distance) C4'-P energy: -87.846
bonds (distance) P-C4' energy: -92.092
flat angles C4'-P-C4' energy: -84.304
flat angles P-C4'-P energy: -74.545
tors. eta vs tors. theta energy: -131.819
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: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1596.427324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.427324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.427324 (E_RNA)
where:
Base-Base interactions energy: -1111.588
where: short stacking energy: -442.542
Base-Backbone interact. energy: -2.069
local terms energy: -482.771219
where:
bonds (distance) C4'-P energy: -87.333
bonds (distance) P-C4' energy: -85.320
flat angles C4'-P-C4' energy: -100.336
flat angles P-C4'-P energy: -81.668
tors. eta vs tors. theta energy: -128.114
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: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1441.130293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.130293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.130293 (E_RNA)
where:
Base-Base interactions energy: -993.715
where: short stacking energy: -420.511
Base-Backbone interact. energy: 0.589
local terms energy: -448.003766
where:
bonds (distance) C4'-P energy: -87.669
bonds (distance) P-C4' energy: -86.297
flat angles C4'-P-C4' energy: -90.104
flat angles P-C4'-P energy: -67.190
tors. eta vs tors. theta energy: -116.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1213.902099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.902099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.902099 (E_RNA)
where:
Base-Base interactions energy: -825.817
where: short stacking energy: -371.508
Base-Backbone interact. energy: 0.900
local terms energy: -388.985640
where:
bonds (distance) C4'-P energy: -68.581
bonds (distance) P-C4' energy: -68.207
flat angles C4'-P-C4' energy: -94.392
flat angles P-C4'-P energy: -64.341
tors. eta vs tors. theta energy: -93.465
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: 3
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1138.225011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.225011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.225011 (E_RNA)
where:
Base-Base interactions energy: -799.636
where: short stacking energy: -324.776
Base-Backbone interact. energy: -2.250
local terms energy: -336.338745
where:
bonds (distance) C4'-P energy: -52.413
bonds (distance) P-C4' energy: -82.660
flat angles C4'-P-C4' energy: -79.613
flat angles P-C4'-P energy: -44.353
tors. eta vs tors. theta energy: -77.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -950.526740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.526740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.526740 (E_RNA)
where:
Base-Base interactions energy: -599.720
where: short stacking energy: -238.516
Base-Backbone interact. energy: -1.860
local terms energy: -348.946294
where:
bonds (distance) C4'-P energy: -78.983
bonds (distance) P-C4' energy: -69.629
flat angles C4'-P-C4' energy: -80.497
flat angles P-C4'-P energy: -53.947
tors. eta vs tors. theta energy: -65.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1853.335255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.335255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.335255 (E_RNA)
where:
Base-Base interactions energy: -1309.236
where: short stacking energy: -552.856
Base-Backbone interact. energy: -2.193
local terms energy: -541.906197
where:
bonds (distance) C4'-P energy: -96.213
bonds (distance) P-C4' energy: -94.079
flat angles C4'-P-C4' energy: -114.513
flat angles P-C4'-P energy: -81.172
tors. eta vs tors. theta energy: -155.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1823.655828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.655828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.655828 (E_RNA)
where:
Base-Base interactions energy: -1299.528
where: short stacking energy: -547.419
Base-Backbone interact. energy: -2.880
local terms energy: -521.247242
where:
bonds (distance) C4'-P energy: -101.555
bonds (distance) P-C4' energy: -77.463
flat angles C4'-P-C4' energy: -110.466
flat angles P-C4'-P energy: -71.089
tors. eta vs tors. theta energy: -160.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1760.861871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.861871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.861871 (E_RNA)
where:
Base-Base interactions energy: -1228.753
where: short stacking energy: -516.057
Base-Backbone interact. energy: 0.789
local terms energy: -532.898163
where:
bonds (distance) C4'-P energy: -95.057
bonds (distance) P-C4' energy: -91.161
flat angles C4'-P-C4' energy: -112.292
flat angles P-C4'-P energy: -82.211
tors. eta vs tors. theta energy: -152.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1702.374049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.374049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.374049 (E_RNA)
where:
Base-Base interactions energy: -1188.064
where: short stacking energy: -499.429
Base-Backbone interact. energy: 0.335
local terms energy: -514.645654
where:
bonds (distance) C4'-P energy: -98.967
bonds (distance) P-C4' energy: -92.675
flat angles C4'-P-C4' energy: -105.703
flat angles P-C4'-P energy: -74.482
tors. eta vs tors. theta energy: -142.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1596.704957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.704957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.704957 (E_RNA)
where:
Base-Base interactions energy: -1109.093
where: short stacking energy: -453.925
Base-Backbone interact. energy: 1.022
local terms energy: -488.634309
where:
bonds (distance) C4'-P energy: -96.109
bonds (distance) P-C4' energy: -90.945
flat angles C4'-P-C4' energy: -92.115
flat angles P-C4'-P energy: -67.091
tors. eta vs tors. theta energy: -142.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1561.006224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.006224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.006224 (E_RNA)
where:
Base-Base interactions energy: -1101.343
where: short stacking energy: -443.121
Base-Backbone interact. energy: -0.873
local terms energy: -458.789953
where:
bonds (distance) C4'-P energy: -67.340
bonds (distance) P-C4' energy: -92.820
flat angles C4'-P-C4' energy: -105.817
flat angles P-C4'-P energy: -72.478
tors. eta vs tors. theta energy: -120.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1425.619005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.619005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.619005 (E_RNA)
where:
Base-Base interactions energy: -1004.396
where: short stacking energy: -414.642
Base-Backbone interact. energy: -1.359
local terms energy: -419.864053
where:
bonds (distance) C4'-P energy: -74.163
bonds (distance) P-C4' energy: -73.971
flat angles C4'-P-C4' energy: -78.458
flat angles P-C4'-P energy: -67.778
tors. eta vs tors. theta energy: -125.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1189.428453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.428453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.428453 (E_RNA)
where:
Base-Base interactions energy: -802.061
where: short stacking energy: -326.908
Base-Backbone interact. energy: -0.616
local terms energy: -386.751909
where:
bonds (distance) C4'-P energy: -80.979
bonds (distance) P-C4' energy: -82.798
flat angles C4'-P-C4' energy: -93.677
flat angles P-C4'-P energy: -53.583
tors. eta vs tors. theta energy: -75.716
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: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1217.784845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.784845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.784845 (E_RNA)
where:
Base-Base interactions energy: -834.908
where: short stacking energy: -367.883
Base-Backbone interact. energy: 5.365
local terms energy: -388.242671
where:
bonds (distance) C4'-P energy: -67.189
bonds (distance) P-C4' energy: -79.959
flat angles C4'-P-C4' energy: -84.616
flat angles P-C4'-P energy: -63.485
tors. eta vs tors. theta energy: -92.994
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: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -953.950116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.950116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.950116 (E_RNA)
where:
Base-Base interactions energy: -601.800
where: short stacking energy: -251.827
Base-Backbone interact. energy: -2.053
local terms energy: -350.097546
where:
bonds (distance) C4'-P energy: -85.225
bonds (distance) P-C4' energy: -83.793
flat angles C4'-P-C4' energy: -87.958
flat angles P-C4'-P energy: -54.633
tors. eta vs tors. theta energy: -38.489
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: 1, replica: 6
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1855.584145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.584145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.584145 (E_RNA)
where:
Base-Base interactions energy: -1310.281
where: short stacking energy: -528.385
Base-Backbone interact. energy: -5.208
local terms energy: -540.094501
where:
bonds (distance) C4'-P energy: -99.877
bonds (distance) P-C4' energy: -100.168
flat angles C4'-P-C4' energy: -107.553
flat angles P-C4'-P energy: -77.484
tors. eta vs tors. theta energy: -155.013
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: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1839.835480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.835480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.835480 (E_RNA)
where:
Base-Base interactions energy: -1279.976
where: short stacking energy: -535.808
Base-Backbone interact. energy: -0.187
local terms energy: -559.671888
where:
bonds (distance) C4'-P energy: -95.853
bonds (distance) P-C4' energy: -99.723
flat angles C4'-P-C4' energy: -122.263
flat angles P-C4'-P energy: -81.123
tors. eta vs tors. theta energy: -160.709
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: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1744.607372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.607372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.607372 (E_RNA)
where:
Base-Base interactions energy: -1241.595
where: short stacking energy: -520.025
Base-Backbone interact. energy: -3.434
local terms energy: -499.578799
where:
bonds (distance) C4'-P energy: -75.760
bonds (distance) P-C4' energy: -94.195
flat angles C4'-P-C4' energy: -106.601
flat angles P-C4'-P energy: -72.052
tors. eta vs tors. theta energy: -150.971
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: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1770.742694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.742694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.742694 (E_RNA)
where:
Base-Base interactions energy: -1240.760
where: short stacking energy: -510.811
Base-Backbone interact. energy: -1.731
local terms energy: -528.251587
where:
bonds (distance) C4'-P energy: -93.303
bonds (distance) P-C4' energy: -97.969
flat angles C4'-P-C4' energy: -108.139
flat angles P-C4'-P energy: -72.880
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: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1634.988808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.988808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.988808 (E_RNA)
where:
Base-Base interactions energy: -1170.568
where: short stacking energy: -489.140
Base-Backbone interact. energy: -1.756
local terms energy: -462.663998
where:
bonds (distance) C4'-P energy: -78.428
bonds (distance) P-C4' energy: -86.582
flat angles C4'-P-C4' energy: -107.995
flat angles P-C4'-P energy: -64.155
tors. eta vs tors. theta energy: -125.504
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: 222
Temperature: 1.150000
Total energy: -1562.205567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.205567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.205567 (E_RNA)
where:
Base-Base interactions energy: -1097.868
where: short stacking energy: -448.537
Base-Backbone interact. energy: 2.050
local terms energy: -466.387990
where:
bonds (distance) C4'-P energy: -76.023
bonds (distance) P-C4' energy: -88.303
flat angles C4'-P-C4' energy: -104.258
flat angles P-C4'-P energy: -62.737
tors. eta vs tors. theta energy: -135.067
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: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1498.127146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.127146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.127146 (E_RNA)
where:
Base-Base interactions energy: -1053.683
where: short stacking energy: -441.149
Base-Backbone interact. energy: 0.728
local terms energy: -445.172220
where:
bonds (distance) C4'-P energy: -84.342
bonds (distance) P-C4' energy: -90.040
flat angles C4'-P-C4' energy: -91.780
flat angles P-C4'-P energy: -56.663
tors. eta vs tors. theta energy: -122.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1248.562484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.562484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.562484 (E_RNA)
where:
Base-Base interactions energy: -848.920
where: short stacking energy: -350.020
Base-Backbone interact. energy: 1.906
local terms energy: -401.548545
where:
bonds (distance) C4'-P energy: -68.722
bonds (distance) P-C4' energy: -78.252
flat angles C4'-P-C4' energy: -89.754
flat angles P-C4'-P energy: -62.073
tors. eta vs tors. theta energy: -102.748
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: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1095.312499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.312499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.312499 (E_RNA)
where:
Base-Base interactions energy: -733.424
where: short stacking energy: -303.395
Base-Backbone interact. energy: -1.959
local terms energy: -359.929836
where:
bonds (distance) C4'-P energy: -66.004
bonds (distance) P-C4' energy: -82.402
flat angles C4'-P-C4' energy: -78.886
flat angles P-C4'-P energy: -66.058
tors. eta vs tors. theta energy: -66.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -878.442974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.442974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.442974 (E_RNA)
where:
Base-Base interactions energy: -552.400
where: short stacking energy: -255.773
Base-Backbone interact. energy: -1.260
local terms energy: -324.783609
where:
bonds (distance) C4'-P energy: -79.391
bonds (distance) P-C4' energy: -69.344
flat angles C4'-P-C4' energy: -80.215
flat angles P-C4'-P energy: -50.525
tors. eta vs tors. theta energy: -45.308
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: 1, replica: 6
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1846.022491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.022491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.022491 (E_RNA)
where:
Base-Base interactions energy: -1298.421
where: short stacking energy: -524.072
Base-Backbone interact. energy: 0.953
local terms energy: -548.554429
where:
bonds (distance) C4'-P energy: -99.245
bonds (distance) P-C4' energy: -96.737
flat angles C4'-P-C4' energy: -115.646
flat angles P-C4'-P energy: -83.201
tors. eta vs tors. theta energy: -153.726
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: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1843.392674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.392674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.392674 (E_RNA)
where:
Base-Base interactions energy: -1295.763
where: short stacking energy: -543.151
Base-Backbone interact. energy: 1.779
local terms energy: -549.408677
where:
bonds (distance) C4'-P energy: -107.153
bonds (distance) P-C4' energy: -101.645
flat angles C4'-P-C4' energy: -114.252
flat angles P-C4'-P energy: -78.205
tors. eta vs tors. theta energy: -148.153
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: 223
Temperature: 1.000000
Total energy: -1750.741788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.741788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.741788 (E_RNA)
where:
Base-Base interactions energy: -1241.364
where: short stacking energy: -503.931
Base-Backbone interact. energy: -3.589
local terms energy: -505.788082
where:
bonds (distance) C4'-P energy: -88.104
bonds (distance) P-C4' energy: -86.678
flat angles C4'-P-C4' energy: -109.879
flat angles P-C4'-P energy: -71.091
tors. eta vs tors. theta energy: -150.035
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: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1714.949317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.949317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.949317 (E_RNA)
where:
Base-Base interactions energy: -1215.735
where: short stacking energy: -510.811
Base-Backbone interact. energy: -0.739
local terms energy: -498.475590
where:
bonds (distance) C4'-P energy: -81.829
bonds (distance) P-C4' energy: -92.783
flat angles C4'-P-C4' energy: -98.963
flat angles P-C4'-P energy: -77.000
tors. eta vs tors. theta energy: -147.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1626.442427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.442427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.442427 (E_RNA)
where:
Base-Base interactions energy: -1171.442
where: short stacking energy: -479.674
Base-Backbone interact. energy: -3.111
local terms energy: -451.889793
where:
bonds (distance) C4'-P energy: -71.834
bonds (distance) P-C4' energy: -78.970
flat angles C4'-P-C4' energy: -113.256
flat angles P-C4'-P energy: -67.142
tors. eta vs tors. theta energy: -120.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1536.392228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.392228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.392228 (E_RNA)
where:
Base-Base interactions energy: -1060.156
where: short stacking energy: -452.585
Base-Backbone interact. energy: -0.621
local terms energy: -475.614759
where:
bonds (distance) C4'-P energy: -90.136
bonds (distance) P-C4' energy: -76.091
flat angles C4'-P-C4' energy: -106.734
flat angles P-C4'-P energy: -64.927
tors. eta vs tors. theta energy: -137.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1486.373202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.373202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.373202 (E_RNA)
where:
Base-Base interactions energy: -1055.706
where: short stacking energy: -442.828
Base-Backbone interact. energy: -1.317
local terms energy: -429.350433
where:
bonds (distance) C4'-P energy: -69.399
bonds (distance) P-C4' energy: -65.751
flat angles C4'-P-C4' energy: -96.790
flat angles P-C4'-P energy: -63.770
tors. eta vs tors. theta energy: -133.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1247.926151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.926151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.926151 (E_RNA)
where:
Base-Base interactions energy: -846.984
where: short stacking energy: -379.303
Base-Backbone interact. energy: -1.871
local terms energy: -399.071371
where:
bonds (distance) C4'-P energy: -66.604
bonds (distance) P-C4' energy: -80.909
flat angles C4'-P-C4' energy: -90.003
flat angles P-C4'-P energy: -55.355
tors. eta vs tors. theta energy: -106.201
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: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1079.438822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.438822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.438822 (E_RNA)
where:
Base-Base interactions energy: -725.545
where: short stacking energy: -318.797
Base-Backbone interact. energy: -1.186
local terms energy: -352.707843
where:
bonds (distance) C4'-P energy: -77.603
bonds (distance) P-C4' energy: -74.240
flat angles C4'-P-C4' energy: -81.363
flat angles P-C4'-P energy: -53.259
tors. eta vs tors. theta energy: -66.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -843.237790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.237790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.237790 (E_RNA)
where:
Base-Base interactions energy: -540.133
where: short stacking energy: -224.352
Base-Backbone interact. energy: 7.378
local terms energy: -310.482637
where:
bonds (distance) C4'-P energy: -82.814
bonds (distance) P-C4' energy: -90.769
flat angles C4'-P-C4' energy: -76.124
flat angles P-C4'-P energy: -30.412
tors. eta vs tors. theta energy: -30.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1850.021566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.021566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.021566 (E_RNA)
where:
Base-Base interactions energy: -1319.841
where: short stacking energy: -532.484
Base-Backbone interact. energy: -1.774
local terms energy: -528.407524
where:
bonds (distance) C4'-P energy: -88.061
bonds (distance) P-C4' energy: -93.494
flat angles C4'-P-C4' energy: -117.209
flat angles P-C4'-P energy: -72.313
tors. eta vs tors. theta energy: -157.330
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: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1796.668402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.668402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.668402 (E_RNA)
where:
Base-Base interactions energy: -1260.774
where: short stacking energy: -492.244
Base-Backbone interact. energy: -0.952
local terms energy: -534.942470
where:
bonds (distance) C4'-P energy: -93.373
bonds (distance) P-C4' energy: -104.191
flat angles C4'-P-C4' energy: -110.143
flat angles P-C4'-P energy: -76.483
tors. eta vs tors. theta energy: -150.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1762.851815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.851815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.851815 (E_RNA)
where:
Base-Base interactions energy: -1235.936
where: short stacking energy: -515.128
Base-Backbone interact. energy: -2.023
local terms energy: -524.892743
where:
bonds (distance) C4'-P energy: -92.491
bonds (distance) P-C4' energy: -92.363
flat angles C4'-P-C4' energy: -105.877
flat angles P-C4'-P energy: -78.149
tors. eta vs tors. theta energy: -156.013
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: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1723.770988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.770988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.770988 (E_RNA)
where:
Base-Base interactions energy: -1205.028
where: short stacking energy: -507.977
Base-Backbone interact. energy: -2.003
local terms energy: -516.739848
where:
bonds (distance) C4'-P energy: -94.131
bonds (distance) P-C4' energy: -85.442
flat angles C4'-P-C4' energy: -112.724
flat angles P-C4'-P energy: -75.424
tors. eta vs tors. theta energy: -149.019
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: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1649.544840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.544840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.544840 (E_RNA)
where:
Base-Base interactions energy: -1165.972
where: short stacking energy: -464.529
Base-Backbone interact. energy: -2.699
local terms energy: -480.874133
where:
bonds (distance) C4'-P energy: -80.047
bonds (distance) P-C4' energy: -92.652
flat angles C4'-P-C4' energy: -106.571
flat angles P-C4'-P energy: -76.038
tors. eta vs tors. theta energy: -125.567
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: 224
Temperature: 1.150000
Total energy: -1557.507080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.507080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.507080 (E_RNA)
where:
Base-Base interactions energy: -1071.494
where: short stacking energy: -458.973
Base-Backbone interact. energy: -0.956
local terms energy: -485.057417
where:
bonds (distance) C4'-P energy: -88.418
bonds (distance) P-C4' energy: -98.689
flat angles C4'-P-C4' energy: -100.818
flat angles P-C4'-P energy: -70.226
tors. eta vs tors. theta energy: -126.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1487.177384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.177384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.177384 (E_RNA)
where:
Base-Base interactions energy: -1036.911
where: short stacking energy: -418.971
Base-Backbone interact. energy: -0.247
local terms energy: -450.019215
where:
bonds (distance) C4'-P energy: -82.925
bonds (distance) P-C4' energy: -91.592
flat angles C4'-P-C4' energy: -94.246
flat angles P-C4'-P energy: -63.604
tors. eta vs tors. theta energy: -117.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1268.640644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.640644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.640644 (E_RNA)
where:
Base-Base interactions energy: -899.892
where: short stacking energy: -384.387
Base-Backbone interact. energy: -0.826
local terms energy: -367.922054
where:
bonds (distance) C4'-P energy: -69.850
bonds (distance) P-C4' energy: -70.166
flat angles C4'-P-C4' energy: -74.688
flat angles P-C4'-P energy: -55.112
tors. eta vs tors. theta energy: -98.106
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: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1078.456540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.456540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.456540 (E_RNA)
where:
Base-Base interactions energy: -733.930
where: short stacking energy: -323.125
Base-Backbone interact. energy: 5.594
local terms energy: -350.120553
where:
bonds (distance) C4'-P energy: -82.312
bonds (distance) P-C4' energy: -70.408
flat angles C4'-P-C4' energy: -84.702
flat angles P-C4'-P energy: -46.532
tors. eta vs tors. theta energy: -66.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -952.782082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.782082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.782082 (E_RNA)
where:
Base-Base interactions energy: -628.306
where: short stacking energy: -280.938
Base-Backbone interact. energy: 2.889
local terms energy: -327.365205
where:
bonds (distance) C4'-P energy: -73.005
bonds (distance) P-C4' energy: -83.287
flat angles C4'-P-C4' energy: -78.173
flat angles P-C4'-P energy: -34.698
tors. eta vs tors. theta energy: -58.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1860.995659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.995659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.995659 (E_RNA)
where:
Base-Base interactions energy: -1337.184
where: short stacking energy: -539.602
Base-Backbone interact. energy: -2.082
local terms energy: -521.729704
where:
bonds (distance) C4'-P energy: -91.495
bonds (distance) P-C4' energy: -94.277
flat angles C4'-P-C4' energy: -109.323
flat angles P-C4'-P energy: -76.241
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: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1815.296897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.296897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.296897 (E_RNA)
where:
Base-Base interactions energy: -1292.193
where: short stacking energy: -523.324
Base-Backbone interact. energy: -2.257
local terms energy: -520.847053
where:
bonds (distance) C4'-P energy: -91.245
bonds (distance) P-C4' energy: -92.159
flat angles C4'-P-C4' energy: -108.911
flat angles P-C4'-P energy: -78.292
tors. eta vs tors. theta energy: -150.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1749.631869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.631869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.631869 (E_RNA)
where:
Base-Base interactions energy: -1253.401
where: short stacking energy: -526.103
Base-Backbone interact. energy: -1.996
local terms energy: -494.234542
where:
bonds (distance) C4'-P energy: -92.159
bonds (distance) P-C4' energy: -83.267
flat angles C4'-P-C4' energy: -103.806
flat angles P-C4'-P energy: -71.965
tors. eta vs tors. theta energy: -143.038
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: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1710.585275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.585275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.585275 (E_RNA)
where:
Base-Base interactions energy: -1203.539
where: short stacking energy: -510.288
Base-Backbone interact. energy: 0.229
local terms energy: -507.275982
where:
bonds (distance) C4'-P energy: -86.690
bonds (distance) P-C4' energy: -89.121
flat angles C4'-P-C4' energy: -101.305
flat angles P-C4'-P energy: -79.374
tors. eta vs tors. theta energy: -150.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1618.003962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.003962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.003962 (E_RNA)
where:
Base-Base interactions energy: -1143.511
where: short stacking energy: -475.916
Base-Backbone interact. energy: -0.458
local terms energy: -474.035449
where:
bonds (distance) C4'-P energy: -84.788
bonds (distance) P-C4' energy: -82.476
flat angles C4'-P-C4' energy: -104.569
flat angles P-C4'-P energy: -67.839
tors. eta vs tors. theta energy: -134.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1525.392525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.392525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.392525 (E_RNA)
where:
Base-Base interactions energy: -1088.472
where: short stacking energy: -455.116
Base-Backbone interact. energy: 4.345
local terms energy: -441.265662
where:
bonds (distance) C4'-P energy: -63.383
bonds (distance) P-C4' energy: -77.783
flat angles C4'-P-C4' energy: -97.377
flat angles P-C4'-P energy: -68.407
tors. eta vs tors. theta energy: -134.315
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: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1457.116557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.116557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.116557 (E_RNA)
where:
Base-Base interactions energy: -1006.444
where: short stacking energy: -421.579
Base-Backbone interact. energy: 1.330
local terms energy: -452.002904
where:
bonds (distance) C4'-P energy: -69.655
bonds (distance) P-C4' energy: -92.916
flat angles C4'-P-C4' energy: -103.184
flat angles P-C4'-P energy: -64.760
tors. eta vs tors. theta energy: -121.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1234.220337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.220337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.220337 (E_RNA)
where:
Base-Base interactions energy: -834.939
where: short stacking energy: -340.519
Base-Backbone interact. energy: -0.091
local terms energy: -399.190400
where:
bonds (distance) C4'-P energy: -80.669
bonds (distance) P-C4' energy: -79.036
flat angles C4'-P-C4' energy: -97.732
flat angles P-C4'-P energy: -53.328
tors. eta vs tors. theta energy: -88.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -1075.350150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.350150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.350150 (E_RNA)
where:
Base-Base interactions energy: -728.046
where: short stacking energy: -316.582
Base-Backbone interact. energy: 1.302
local terms energy: -348.606443
where:
bonds (distance) C4'-P energy: -85.418
bonds (distance) P-C4' energy: -66.420
flat angles C4'-P-C4' energy: -75.380
flat angles P-C4'-P energy: -50.309
tors. eta vs tors. theta energy: -71.079
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: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -982.565154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.565154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.565154 (E_RNA)
where:
Base-Base interactions energy: -684.869
where: short stacking energy: -291.682
Base-Backbone interact. energy: -0.058
local terms energy: -297.638459
where:
bonds (distance) C4'-P energy: -62.961
bonds (distance) P-C4' energy: -58.891
flat angles C4'-P-C4' energy: -80.607
flat angles P-C4'-P energy: -47.540
tors. eta vs tors. theta energy: -47.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1850.731401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.731401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.731401 (E_RNA)
where:
Base-Base interactions energy: -1316.676
where: short stacking energy: -533.430
Base-Backbone interact. energy: -3.243
local terms energy: -530.812373
where:
bonds (distance) C4'-P energy: -91.960
bonds (distance) P-C4' energy: -95.296
flat angles C4'-P-C4' energy: -109.766
flat angles P-C4'-P energy: -76.667
tors. eta vs tors. theta energy: -157.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1798.338092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.338092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.338092 (E_RNA)
where:
Base-Base interactions energy: -1289.449
where: short stacking energy: -543.173
Base-Backbone interact. energy: -1.475
local terms energy: -507.414631
where:
bonds (distance) C4'-P energy: -80.766
bonds (distance) P-C4' energy: -91.370
flat angles C4'-P-C4' energy: -110.161
flat angles P-C4'-P energy: -71.186
tors. eta vs tors. theta energy: -153.933
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: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1714.311529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.311529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.311529 (E_RNA)
where:
Base-Base interactions energy: -1205.543
where: short stacking energy: -523.243
Base-Backbone interact. energy: -2.180
local terms energy: -506.588671
where:
bonds (distance) C4'-P energy: -74.650
bonds (distance) P-C4' energy: -97.417
flat angles C4'-P-C4' energy: -115.690
flat angles P-C4'-P energy: -72.543
tors. eta vs tors. theta energy: -146.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1726.197009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.197009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.197009 (E_RNA)
where:
Base-Base interactions energy: -1223.228
where: short stacking energy: -514.681
Base-Backbone interact. energy: -0.619
local terms energy: -502.349461
where:
bonds (distance) C4'-P energy: -89.238
bonds (distance) P-C4' energy: -84.278
flat angles C4'-P-C4' energy: -107.153
flat angles P-C4'-P energy: -72.700
tors. eta vs tors. theta energy: -148.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1620.029525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.029525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.029525 (E_RNA)
where:
Base-Base interactions energy: -1164.352
where: short stacking energy: -465.903
Base-Backbone interact. energy: -3.068
local terms energy: -452.609732
where:
bonds (distance) C4'-P energy: -86.684
bonds (distance) P-C4' energy: -81.711
flat angles C4'-P-C4' energy: -94.868
flat angles P-C4'-P energy: -60.568
tors. eta vs tors. theta energy: -128.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1517.348577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.348577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.348577 (E_RNA)
where:
Base-Base interactions energy: -1077.748
where: short stacking energy: -445.992
Base-Backbone interact. energy: -0.633
local terms energy: -438.967917
where:
bonds (distance) C4'-P energy: -84.859
bonds (distance) P-C4' energy: -85.255
flat angles C4'-P-C4' energy: -94.272
flat angles P-C4'-P energy: -54.964
tors. eta vs tors. theta energy: -119.617
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: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1474.289941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.289941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.289941 (E_RNA)
where:
Base-Base interactions energy: -1058.234
where: short stacking energy: -450.217
Base-Backbone interact. energy: -0.911
local terms energy: -415.145193
where:
bonds (distance) C4'-P energy: -77.767
bonds (distance) P-C4' energy: -75.965
flat angles C4'-P-C4' energy: -81.753
flat angles P-C4'-P energy: -57.533
tors. eta vs tors. theta energy: -122.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1218.327669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.327669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.327669 (E_RNA)
where:
Base-Base interactions energy: -856.383
where: short stacking energy: -349.548
Base-Backbone interact. energy: -0.779
local terms energy: -361.165792
where:
bonds (distance) C4'-P energy: -72.466
bonds (distance) P-C4' energy: -90.214
flat angles C4'-P-C4' energy: -76.490
flat angles P-C4'-P energy: -38.662
tors. eta vs tors. theta energy: -83.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1135.547052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.547052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.547052 (E_RNA)
where:
Base-Base interactions energy: -775.751
where: short stacking energy: -346.353
Base-Backbone interact. energy: 1.413
local terms energy: -361.208514
where:
bonds (distance) C4'-P energy: -81.265
bonds (distance) P-C4' energy: -72.304
flat angles C4'-P-C4' energy: -73.550
flat angles P-C4'-P energy: -54.169
tors. eta vs tors. theta energy: -79.920
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: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -915.963388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.963388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.963388 (E_RNA)
where:
Base-Base interactions energy: -579.918
where: short stacking energy: -268.649
Base-Backbone interact. energy: -1.313
local terms energy: -334.732643
where:
bonds (distance) C4'-P energy: -64.999
bonds (distance) P-C4' energy: -83.972
flat angles C4'-P-C4' energy: -79.054
flat angles P-C4'-P energy: -54.586
tors. eta vs tors. theta energy: -52.123
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: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1858.018393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.018393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.018393 (E_RNA)
where:
Base-Base interactions energy: -1282.701
where: short stacking energy: -517.998
Base-Backbone interact. energy: 2.123
local terms energy: -577.440813
where:
bonds (distance) C4'-P energy: -104.831
bonds (distance) P-C4' energy: -106.130
flat angles C4'-P-C4' energy: -121.030
flat angles P-C4'-P energy: -85.254
tors. eta vs tors. theta energy: -160.196
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: 227
Temperature: 0.950000
Total energy: -1827.886299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.886299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.886299 (E_RNA)
where:
Base-Base interactions energy: -1289.906
where: short stacking energy: -535.623
Base-Backbone interact. energy: -0.282
local terms energy: -537.697485
where:
bonds (distance) C4'-P energy: -104.594
bonds (distance) P-C4' energy: -96.075
flat angles C4'-P-C4' energy: -113.156
flat angles P-C4'-P energy: -79.734
tors. eta vs tors. theta energy: -144.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1730.935519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.935519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.935519 (E_RNA)
where:
Base-Base interactions energy: -1204.636
where: short stacking energy: -504.142
Base-Backbone interact. energy: -0.591
local terms energy: -525.709036
where:
bonds (distance) C4'-P energy: -84.552
bonds (distance) P-C4' energy: -107.168
flat angles C4'-P-C4' energy: -111.034
flat angles P-C4'-P energy: -71.880
tors. eta vs tors. theta energy: -151.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1716.828597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.828597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.828597 (E_RNA)
where:
Base-Base interactions energy: -1204.324
where: short stacking energy: -493.384
Base-Backbone interact. energy: -2.682
local terms energy: -509.823087
where:
bonds (distance) C4'-P energy: -90.911
bonds (distance) P-C4' energy: -90.318
flat angles C4'-P-C4' energy: -114.786
flat angles P-C4'-P energy: -72.686
tors. eta vs tors. theta energy: -141.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1633.088825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.088825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.088825 (E_RNA)
where:
Base-Base interactions energy: -1167.593
where: short stacking energy: -488.130
Base-Backbone interact. energy: -0.608
local terms energy: -464.887178
where:
bonds (distance) C4'-P energy: -84.826
bonds (distance) P-C4' energy: -88.277
flat angles C4'-P-C4' energy: -93.036
flat angles P-C4'-P energy: -62.123
tors. eta vs tors. theta energy: -136.624
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: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1515.592390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.592390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.592390 (E_RNA)
where:
Base-Base interactions energy: -1101.724
where: short stacking energy: -450.779
Base-Backbone interact. energy: 0.129
local terms energy: -413.998165
where:
bonds (distance) C4'-P energy: -78.055
bonds (distance) P-C4' energy: -72.618
flat angles C4'-P-C4' energy: -91.342
flat angles P-C4'-P energy: -58.923
tors. eta vs tors. theta energy: -113.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1495.390719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.390719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.390719 (E_RNA)
where:
Base-Base interactions energy: -1062.111
where: short stacking energy: -428.950
Base-Backbone interact. energy: -1.942
local terms energy: -431.337577
where:
bonds (distance) C4'-P energy: -82.163
bonds (distance) P-C4' energy: -64.827
flat angles C4'-P-C4' energy: -106.645
flat angles P-C4'-P energy: -54.855
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: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1237.102857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.102857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.102857 (E_RNA)
where:
Base-Base interactions energy: -846.633
where: short stacking energy: -376.781
Base-Backbone interact. energy: -0.919
local terms energy: -389.551118
where:
bonds (distance) C4'-P energy: -70.044
bonds (distance) P-C4' energy: -81.718
flat angles C4'-P-C4' energy: -84.007
flat angles P-C4'-P energy: -64.205
tors. eta vs tors. theta energy: -89.578
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: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1152.996734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.996734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.996734 (E_RNA)
where:
Base-Base interactions energy: -795.880
where: short stacking energy: -319.274
Base-Backbone interact. energy: 2.586
local terms energy: -359.702081
where:
bonds (distance) C4'-P energy: -61.040
bonds (distance) P-C4' energy: -71.830
flat angles C4'-P-C4' energy: -84.457
flat angles P-C4'-P energy: -61.825
tors. eta vs tors. theta energy: -80.550
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: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -960.758767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.758767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.758767 (E_RNA)
where:
Base-Base interactions energy: -629.463
where: short stacking energy: -288.452
Base-Backbone interact. energy: 0.387
local terms energy: -331.682206
where:
bonds (distance) C4'-P energy: -61.457
bonds (distance) P-C4' energy: -72.259
flat angles C4'-P-C4' energy: -79.484
flat angles P-C4'-P energy: -59.846
tors. eta vs tors. theta energy: -58.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1845.169468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.169468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.169468 (E_RNA)
where:
Base-Base interactions energy: -1299.081
where: short stacking energy: -553.764
Base-Backbone interact. energy: 0.287
local terms energy: -546.375522
where:
bonds (distance) C4'-P energy: -101.316
bonds (distance) P-C4' energy: -90.814
flat angles C4'-P-C4' energy: -122.604
flat angles P-C4'-P energy: -74.509
tors. eta vs tors. theta energy: -157.132
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: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1796.842281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.842281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.842281 (E_RNA)
where:
Base-Base interactions energy: -1295.278
where: short stacking energy: -529.864
Base-Backbone interact. energy: 1.107
local terms energy: -502.671736
where:
bonds (distance) C4'-P energy: -79.339
bonds (distance) P-C4' energy: -94.847
flat angles C4'-P-C4' energy: -109.022
flat angles P-C4'-P energy: -72.550
tors. eta vs tors. theta energy: -146.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1755.960721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.960721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.960721 (E_RNA)
where:
Base-Base interactions energy: -1239.872
where: short stacking energy: -498.795
Base-Backbone interact. energy: 0.461
local terms energy: -516.550499
where:
bonds (distance) C4'-P energy: -95.544
bonds (distance) P-C4' energy: -93.700
flat angles C4'-P-C4' energy: -105.941
flat angles P-C4'-P energy: -77.351
tors. eta vs tors. theta energy: -144.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1750.459243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.459243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.459243 (E_RNA)
where:
Base-Base interactions energy: -1227.232
where: short stacking energy: -514.135
Base-Backbone interact. energy: -1.135
local terms energy: -522.092137
where:
bonds (distance) C4'-P energy: -93.208
bonds (distance) P-C4' energy: -99.732
flat angles C4'-P-C4' energy: -108.065
flat angles P-C4'-P energy: -73.175
tors. eta vs tors. theta energy: -147.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1617.887041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.887041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.887041 (E_RNA)
where:
Base-Base interactions energy: -1132.421
where: short stacking energy: -471.845
Base-Backbone interact. energy: -1.948
local terms energy: -483.518301
where:
bonds (distance) C4'-P energy: -90.813
bonds (distance) P-C4' energy: -85.048
flat angles C4'-P-C4' energy: -101.342
flat angles P-C4'-P energy: -70.401
tors. eta vs tors. theta energy: -135.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1504.608593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.608593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.608593 (E_RNA)
where:
Base-Base interactions energy: -1060.714
where: short stacking energy: -438.173
Base-Backbone interact. energy: 1.723
local terms energy: -445.617446
where:
bonds (distance) C4'-P energy: -81.116
bonds (distance) P-C4' energy: -83.099
flat angles C4'-P-C4' energy: -96.205
flat angles P-C4'-P energy: -63.905
tors. eta vs tors. theta energy: -121.292
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: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1500.289768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.289768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.289768 (E_RNA)
where:
Base-Base interactions energy: -1045.889
where: short stacking energy: -445.893
Base-Backbone interact. energy: -2.066
local terms energy: -452.334774
where:
bonds (distance) C4'-P energy: -82.461
bonds (distance) P-C4' energy: -72.158
flat angles C4'-P-C4' energy: -100.965
flat angles P-C4'-P energy: -73.952
tors. eta vs tors. theta energy: -122.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1217.691939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.691939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.691939 (E_RNA)
where:
Base-Base interactions energy: -848.303
where: short stacking energy: -342.142
Base-Backbone interact. energy: 8.428
local terms energy: -377.816926
where:
bonds (distance) C4'-P energy: -68.849
bonds (distance) P-C4' energy: -71.784
flat angles C4'-P-C4' energy: -89.352
flat angles P-C4'-P energy: -68.033
tors. eta vs tors. theta energy: -79.798
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: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1177.341703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.341703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.341703 (E_RNA)
where:
Base-Base interactions energy: -784.188
where: short stacking energy: -352.272
Base-Backbone interact. energy: 0.605
local terms energy: -393.758733
where:
bonds (distance) C4'-P energy: -71.575
bonds (distance) P-C4' energy: -90.909
flat angles C4'-P-C4' energy: -93.248
flat angles P-C4'-P energy: -50.563
tors. eta vs tors. theta energy: -87.464
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: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -943.771904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.771904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.771904 (E_RNA)
where:
Base-Base interactions energy: -604.962
where: short stacking energy: -277.987
Base-Backbone interact. energy: -2.550
local terms energy: -336.260287
where:
bonds (distance) C4'-P energy: -72.693
bonds (distance) P-C4' energy: -79.767
flat angles C4'-P-C4' energy: -76.972
flat angles P-C4'-P energy: -48.329
tors. eta vs tors. theta energy: -58.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1844.970939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.970939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.970939 (E_RNA)
where:
Base-Base interactions energy: -1303.943
where: short stacking energy: -551.342
Base-Backbone interact. energy: -4.722
local terms energy: -536.305573
where:
bonds (distance) C4'-P energy: -100.379
bonds (distance) P-C4' energy: -98.347
flat angles C4'-P-C4' energy: -110.775
flat angles P-C4'-P energy: -73.973
tors. eta vs tors. theta energy: -152.832
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: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1810.375196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.375196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.375196 (E_RNA)
where:
Base-Base interactions energy: -1262.084
where: short stacking energy: -537.398
Base-Backbone interact. energy: -1.770
local terms energy: -546.521425
where:
bonds (distance) C4'-P energy: -99.945
bonds (distance) P-C4' energy: -86.619
flat angles C4'-P-C4' energy: -119.778
flat angles P-C4'-P energy: -85.558
tors. eta vs tors. theta energy: -154.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1735.584161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.584161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.584161 (E_RNA)
where:
Base-Base interactions energy: -1213.396
where: short stacking energy: -528.367
Base-Backbone interact. energy: -1.900
local terms energy: -520.288825
where:
bonds (distance) C4'-P energy: -84.485
bonds (distance) P-C4' energy: -100.779
flat angles C4'-P-C4' energy: -106.559
flat angles P-C4'-P energy: -77.501
tors. eta vs tors. theta energy: -150.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1733.118209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.118209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.118209 (E_RNA)
where:
Base-Base interactions energy: -1226.157
where: short stacking energy: -507.528
Base-Backbone interact. energy: -0.740
local terms energy: -506.220796
where:
bonds (distance) C4'-P energy: -95.977
bonds (distance) P-C4' energy: -101.982
flat angles C4'-P-C4' energy: -96.152
flat angles P-C4'-P energy: -62.657
tors. eta vs tors. theta energy: -149.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1633.121964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.121964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.121964 (E_RNA)
where:
Base-Base interactions energy: -1164.356
where: short stacking energy: -478.490
Base-Backbone interact. energy: 1.178
local terms energy: -469.944450
where:
bonds (distance) C4'-P energy: -85.285
bonds (distance) P-C4' energy: -80.470
flat angles C4'-P-C4' energy: -100.087
flat angles P-C4'-P energy: -76.972
tors. eta vs tors. theta energy: -127.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1554.421347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.421347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.421347 (E_RNA)
where:
Base-Base interactions energy: -1085.677
where: short stacking energy: -456.790
Base-Backbone interact. energy: -0.700
local terms energy: -468.044157
where:
bonds (distance) C4'-P energy: -75.308
bonds (distance) P-C4' energy: -85.784
flat angles C4'-P-C4' energy: -103.087
flat angles P-C4'-P energy: -67.782
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: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1502.968088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.968088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.968088 (E_RNA)
where:
Base-Base interactions energy: -1052.917
where: short stacking energy: -442.155
Base-Backbone interact. energy: 1.171
local terms energy: -451.221890
where:
bonds (distance) C4'-P energy: -79.315
bonds (distance) P-C4' energy: -81.983
flat angles C4'-P-C4' energy: -109.096
flat angles P-C4'-P energy: -66.321
tors. eta vs tors. theta energy: -114.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1177.888927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.888927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.888927 (E_RNA)
where:
Base-Base interactions energy: -780.004
where: short stacking energy: -331.597
Base-Backbone interact. energy: -1.946
local terms energy: -395.939224
where:
bonds (distance) C4'-P energy: -79.339
bonds (distance) P-C4' energy: -90.173
flat angles C4'-P-C4' energy: -87.415
flat angles P-C4'-P energy: -59.822
tors. eta vs tors. theta energy: -79.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1163.883855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.883855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.883855 (E_RNA)
where:
Base-Base interactions energy: -788.826
where: short stacking energy: -333.645
Base-Backbone interact. energy: -2.200
local terms energy: -372.857531
where:
bonds (distance) C4'-P energy: -70.865
bonds (distance) P-C4' energy: -90.149
flat angles C4'-P-C4' energy: -88.652
flat angles P-C4'-P energy: -42.831
tors. eta vs tors. theta energy: -80.361
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: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -919.474663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.474663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.474663 (E_RNA)
where:
Base-Base interactions energy: -575.242
where: short stacking energy: -258.862
Base-Backbone interact. energy: 1.856
local terms energy: -346.088497
where:
bonds (distance) C4'-P energy: -83.257
bonds (distance) P-C4' energy: -79.756
flat angles C4'-P-C4' energy: -78.306
flat angles P-C4'-P energy: -55.107
tors. eta vs tors. theta energy: -49.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1830.545480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.545480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.545480 (E_RNA)
where:
Base-Base interactions energy: -1298.352
where: short stacking energy: -538.012
Base-Backbone interact. energy: -4.303
local terms energy: -527.890949
where:
bonds (distance) C4'-P energy: -95.890
bonds (distance) P-C4' energy: -92.571
flat angles C4'-P-C4' energy: -110.939
flat angles P-C4'-P energy: -76.819
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: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1791.701541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.701541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.701541 (E_RNA)
where:
Base-Base interactions energy: -1278.395
where: short stacking energy: -551.121
Base-Backbone interact. energy: -0.961
local terms energy: -512.346379
where:
bonds (distance) C4'-P energy: -82.544
bonds (distance) P-C4' energy: -87.954
flat angles C4'-P-C4' energy: -105.328
flat angles P-C4'-P energy: -72.233
tors. eta vs tors. theta energy: -164.287
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: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1763.043415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.043415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.043415 (E_RNA)
where:
Base-Base interactions energy: -1242.001
where: short stacking energy: -522.950
Base-Backbone interact. energy: -1.422
local terms energy: -519.620392
where:
bonds (distance) C4'-P energy: -86.706
bonds (distance) P-C4' energy: -96.254
flat angles C4'-P-C4' energy: -113.961
flat angles P-C4'-P energy: -75.732
tors. eta vs tors. theta energy: -146.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1715.159159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.159159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.159159 (E_RNA)
where:
Base-Base interactions energy: -1220.103
where: short stacking energy: -488.764
Base-Backbone interact. energy: -0.564
local terms energy: -494.492239
where:
bonds (distance) C4'-P energy: -100.583
bonds (distance) P-C4' energy: -86.407
flat angles C4'-P-C4' energy: -100.167
flat angles P-C4'-P energy: -69.055
tors. eta vs tors. theta energy: -138.281
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: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1647.897963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.897963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.897963 (E_RNA)
where:
Base-Base interactions energy: -1179.265
where: short stacking energy: -479.521
Base-Backbone interact. energy: 1.973
local terms energy: -470.606572
where:
bonds (distance) C4'-P energy: -88.373
bonds (distance) P-C4' energy: -79.759
flat angles C4'-P-C4' energy: -93.971
flat angles P-C4'-P energy: -70.704
tors. eta vs tors. theta energy: -137.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1495.839865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.839865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.839865 (E_RNA)
where:
Base-Base interactions energy: -1057.603
where: short stacking energy: -410.205
Base-Backbone interact. energy: 3.961
local terms energy: -442.198366
where:
bonds (distance) C4'-P energy: -91.137
bonds (distance) P-C4' energy: -79.890
flat angles C4'-P-C4' energy: -97.079
flat angles P-C4'-P energy: -66.730
tors. eta vs tors. theta energy: -107.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1534.231524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.231524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.231524 (E_RNA)
where:
Base-Base interactions energy: -1072.709
where: short stacking energy: -435.874
Base-Backbone interact. energy: -0.918
local terms energy: -460.603737
where:
bonds (distance) C4'-P energy: -81.872
bonds (distance) P-C4' energy: -96.011
flat angles C4'-P-C4' energy: -103.827
flat angles P-C4'-P energy: -62.569
tors. eta vs tors. theta energy: -116.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1165.629126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.629126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.629126 (E_RNA)
where:
Base-Base interactions energy: -786.871
where: short stacking energy: -338.435
Base-Backbone interact. energy: 0.289
local terms energy: -379.047400
where:
bonds (distance) C4'-P energy: -73.478
bonds (distance) P-C4' energy: -100.607
flat angles C4'-P-C4' energy: -84.880
flat angles P-C4'-P energy: -43.549
tors. eta vs tors. theta energy: -76.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1181.806436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.806436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.806436 (E_RNA)
where:
Base-Base interactions energy: -822.574
where: short stacking energy: -371.045
Base-Backbone interact. energy: 2.127
local terms energy: -361.359461
where:
bonds (distance) C4'-P energy: -58.341
bonds (distance) P-C4' energy: -86.363
flat angles C4'-P-C4' energy: -78.405
flat angles P-C4'-P energy: -48.046
tors. eta vs tors. theta energy: -90.204
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: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -913.409858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.409858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.409858 (E_RNA)
where:
Base-Base interactions energy: -593.802
where: short stacking energy: -254.378
Base-Backbone interact. energy: 8.466
local terms energy: -328.074012
where:
bonds (distance) C4'-P energy: -76.086
bonds (distance) P-C4' energy: -84.853
flat angles C4'-P-C4' energy: -72.602
flat angles P-C4'-P energy: -55.180
tors. eta vs tors. theta energy: -39.352
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: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1847.616879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.616879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.616879 (E_RNA)
where:
Base-Base interactions energy: -1311.182
where: short stacking energy: -533.368
Base-Backbone interact. energy: -3.443
local terms energy: -532.992407
where:
bonds (distance) C4'-P energy: -105.189
bonds (distance) P-C4' energy: -76.852
flat angles C4'-P-C4' energy: -118.857
flat angles P-C4'-P energy: -76.553
tors. eta vs tors. theta energy: -155.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1796.114197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.114197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.114197 (E_RNA)
where:
Base-Base interactions energy: -1285.181
where: short stacking energy: -532.618
Base-Backbone interact. energy: -2.514
local terms energy: -508.419511
where:
bonds (distance) C4'-P energy: -86.349
bonds (distance) P-C4' energy: -88.508
flat angles C4'-P-C4' energy: -112.783
flat angles P-C4'-P energy: -72.818
tors. eta vs tors. theta energy: -147.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1790.448530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.448530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.448530 (E_RNA)
where:
Base-Base interactions energy: -1277.162
where: short stacking energy: -533.157
Base-Backbone interact. energy: -1.946
local terms energy: -511.340989
where:
bonds (distance) C4'-P energy: -89.019
bonds (distance) P-C4' energy: -86.868
flat angles C4'-P-C4' energy: -106.991
flat angles P-C4'-P energy: -75.443
tors. eta vs tors. theta energy: -153.020
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: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1704.360210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.360210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.360210 (E_RNA)
where:
Base-Base interactions energy: -1194.727
where: short stacking energy: -488.870
Base-Backbone interact. energy: -1.053
local terms energy: -508.579702
where:
bonds (distance) C4'-P energy: -81.594
bonds (distance) P-C4' energy: -92.682
flat angles C4'-P-C4' energy: -101.573
flat angles P-C4'-P energy: -85.589
tors. eta vs tors. theta energy: -147.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1633.387386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.387386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.387386 (E_RNA)
where:
Base-Base interactions energy: -1124.071
where: short stacking energy: -484.988
Base-Backbone interact. energy: -2.313
local terms energy: -507.003314
where:
bonds (distance) C4'-P energy: -87.811
bonds (distance) P-C4' energy: -91.097
flat angles C4'-P-C4' energy: -112.510
flat angles P-C4'-P energy: -68.750
tors. eta vs tors. theta energy: -146.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1538.045711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.045711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.045711 (E_RNA)
where:
Base-Base interactions energy: -1073.450
where: short stacking energy: -448.059
Base-Backbone interact. energy: -0.861
local terms energy: -463.735468
where:
bonds (distance) C4'-P energy: -78.584
bonds (distance) P-C4' energy: -79.939
flat angles C4'-P-C4' energy: -107.908
flat angles P-C4'-P energy: -74.039
tors. eta vs tors. theta energy: -123.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1472.406654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.406654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.406654 (E_RNA)
where:
Base-Base interactions energy: -1033.578
where: short stacking energy: -432.450
Base-Backbone interact. energy: -1.361
local terms energy: -437.467812
where:
bonds (distance) C4'-P energy: -84.711
bonds (distance) P-C4' energy: -88.725
flat angles C4'-P-C4' energy: -91.950
flat angles P-C4'-P energy: -55.033
tors. eta vs tors. theta energy: -117.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1202.647226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.647226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.647226 (E_RNA)
where:
Base-Base interactions energy: -823.896
where: short stacking energy: -348.903
Base-Backbone interact. energy: 1.052
local terms energy: -379.802973
where:
bonds (distance) C4'-P energy: -61.276
bonds (distance) P-C4' energy: -82.154
flat angles C4'-P-C4' energy: -90.964
flat angles P-C4'-P energy: -58.333
tors. eta vs tors. theta energy: -87.075
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: 3
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1089.442346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.442346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.442346 (E_RNA)
where:
Base-Base interactions energy: -743.105
where: short stacking energy: -317.412
Base-Backbone interact. energy: -2.582
local terms energy: -343.755228
where:
bonds (distance) C4'-P energy: -74.304
bonds (distance) P-C4' energy: -77.572
flat angles C4'-P-C4' energy: -77.273
flat angles P-C4'-P energy: -37.893
tors. eta vs tors. theta energy: -76.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -927.122470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.122470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.122470 (E_RNA)
where:
Base-Base interactions energy: -581.323
where: short stacking energy: -267.038
Base-Backbone interact. energy: 1.269
local terms energy: -347.068933
where:
bonds (distance) C4'-P energy: -84.252
bonds (distance) P-C4' energy: -83.355
flat angles C4'-P-C4' energy: -74.833
flat angles P-C4'-P energy: -58.564
tors. eta vs tors. theta energy: -46.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1860.512747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.512747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.512747 (E_RNA)
where:
Base-Base interactions energy: -1311.686
where: short stacking energy: -539.680
Base-Backbone interact. energy: -2.456
local terms energy: -546.370740
where:
bonds (distance) C4'-P energy: -97.152
bonds (distance) P-C4' energy: -100.781
flat angles C4'-P-C4' energy: -115.199
flat angles P-C4'-P energy: -78.274
tors. eta vs tors. theta energy: -154.964
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: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1810.801484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.801484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.801484 (E_RNA)
where:
Base-Base interactions energy: -1275.899
where: short stacking energy: -534.986
Base-Backbone interact. energy: 0.267
local terms energy: -535.169772
where:
bonds (distance) C4'-P energy: -89.397
bonds (distance) P-C4' energy: -95.207
flat angles C4'-P-C4' energy: -108.555
flat angles P-C4'-P energy: -80.937
tors. eta vs tors. theta energy: -161.074
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: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1762.930873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.930873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.930873 (E_RNA)
where:
Base-Base interactions energy: -1240.058
where: short stacking energy: -528.989
Base-Backbone interact. energy: 1.294
local terms energy: -524.166594
where:
bonds (distance) C4'-P energy: -88.584
bonds (distance) P-C4' energy: -93.207
flat angles C4'-P-C4' energy: -108.407
flat angles P-C4'-P energy: -79.053
tors. eta vs tors. theta energy: -154.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1713.173615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.173615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.173615 (E_RNA)
where:
Base-Base interactions energy: -1206.651
where: short stacking energy: -504.207
Base-Backbone interact. energy: -0.708
local terms energy: -505.815163
where:
bonds (distance) C4'-P energy: -80.973
bonds (distance) P-C4' energy: -107.188
flat angles C4'-P-C4' energy: -94.985
flat angles P-C4'-P energy: -72.889
tors. eta vs tors. theta energy: -149.780
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: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1583.914410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.914410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.914410 (E_RNA)
where:
Base-Base interactions energy: -1112.519
where: short stacking energy: -462.531
Base-Backbone interact. energy: 0.203
local terms energy: -471.598260
where:
bonds (distance) C4'-P energy: -89.370
bonds (distance) P-C4' energy: -77.012
flat angles C4'-P-C4' energy: -104.198
flat angles P-C4'-P energy: -72.232
tors. eta vs tors. theta energy: -128.786
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: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1563.720768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.720768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.720768 (E_RNA)
where:
Base-Base interactions energy: -1108.238
where: short stacking energy: -460.016
Base-Backbone interact. energy: -1.991
local terms energy: -453.491578
where:
bonds (distance) C4'-P energy: -83.725
bonds (distance) P-C4' energy: -83.577
flat angles C4'-P-C4' energy: -103.991
flat angles P-C4'-P energy: -49.472
tors. eta vs tors. theta energy: -132.726
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: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1470.362939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.362939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.362939 (E_RNA)
where:
Base-Base interactions energy: -1056.235
where: short stacking energy: -416.268
Base-Backbone interact. energy: -2.547
local terms energy: -411.580692
where:
bonds (distance) C4'-P energy: -72.756
bonds (distance) P-C4' energy: -92.484
flat angles C4'-P-C4' energy: -85.382
flat angles P-C4'-P energy: -48.806
tors. eta vs tors. theta energy: -112.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1235.290084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.290084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.290084 (E_RNA)
where:
Base-Base interactions energy: -842.318
where: short stacking energy: -334.040
Base-Backbone interact. energy: 1.668
local terms energy: -394.640163
where:
bonds (distance) C4'-P energy: -82.291
bonds (distance) P-C4' energy: -83.215
flat angles C4'-P-C4' energy: -86.927
flat angles P-C4'-P energy: -51.599
tors. eta vs tors. theta energy: -90.608
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: 3
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1131.445322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.445322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.445322 (E_RNA)
where:
Base-Base interactions energy: -768.967
where: short stacking energy: -325.221
Base-Backbone interact. energy: -1.021
local terms energy: -361.457369
where:
bonds (distance) C4'-P energy: -76.109
bonds (distance) P-C4' energy: -74.692
flat angles C4'-P-C4' energy: -79.900
flat angles P-C4'-P energy: -60.201
tors. eta vs tors. theta energy: -70.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -972.580681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.580681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.580681 (E_RNA)
where:
Base-Base interactions energy: -631.647
where: short stacking energy: -297.819
Base-Backbone interact. energy: 0.409
local terms energy: -341.342798
where:
bonds (distance) C4'-P energy: -67.589
bonds (distance) P-C4' energy: -79.642
flat angles C4'-P-C4' energy: -90.578
flat angles P-C4'-P energy: -38.883
tors. eta vs tors. theta energy: -64.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1854.538186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.538186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.538186 (E_RNA)
where:
Base-Base interactions energy: -1325.335
where: short stacking energy: -542.859
Base-Backbone interact. energy: -3.002
local terms energy: -526.200478
where:
bonds (distance) C4'-P energy: -90.440
bonds (distance) P-C4' energy: -96.873
flat angles C4'-P-C4' energy: -101.298
flat angles P-C4'-P energy: -80.833
tors. eta vs tors. theta energy: -156.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1812.377708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.377708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.377708 (E_RNA)
where:
Base-Base interactions energy: -1274.400
where: short stacking energy: -534.507
Base-Backbone interact. energy: -1.174
local terms energy: -536.804131
where:
bonds (distance) C4'-P energy: -99.554
bonds (distance) P-C4' energy: -100.603
flat angles C4'-P-C4' energy: -109.504
flat angles P-C4'-P energy: -68.211
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: 3, replica: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1755.917068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.917068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.917068 (E_RNA)
where:
Base-Base interactions energy: -1233.532
where: short stacking energy: -528.557
Base-Backbone interact. energy: -1.903
local terms energy: -520.482197
where:
bonds (distance) C4'-P energy: -83.643
bonds (distance) P-C4' energy: -94.266
flat angles C4'-P-C4' energy: -108.972
flat angles P-C4'-P energy: -77.216
tors. eta vs tors. theta energy: -156.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1711.415060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.415060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.415060 (E_RNA)
where:
Base-Base interactions energy: -1206.486
where: short stacking energy: -509.840
Base-Backbone interact. energy: -3.168
local terms energy: -501.760348
where:
bonds (distance) C4'-P energy: -83.464
bonds (distance) P-C4' energy: -83.477
flat angles C4'-P-C4' energy: -115.872
flat angles P-C4'-P energy: -72.336
tors. eta vs tors. theta energy: -146.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1556.835611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.835611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.835611 (E_RNA)
where:
Base-Base interactions energy: -1068.534
where: short stacking energy: -435.798
Base-Backbone interact. energy: -0.613
local terms energy: -487.688680
where:
bonds (distance) C4'-P energy: -95.954
bonds (distance) P-C4' energy: -89.559
flat angles C4'-P-C4' energy: -106.948
flat angles P-C4'-P energy: -68.992
tors. eta vs tors. theta energy: -126.236
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: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1628.251518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.251518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.251518 (E_RNA)
where:
Base-Base interactions energy: -1142.142
where: short stacking energy: -461.837
Base-Backbone interact. energy: -1.222
local terms energy: -484.887719
where:
bonds (distance) C4'-P energy: -81.317
bonds (distance) P-C4' energy: -92.689
flat angles C4'-P-C4' energy: -102.745
flat angles P-C4'-P energy: -76.296
tors. eta vs tors. theta energy: -131.840
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: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1459.479601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.479601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.479601 (E_RNA)
where:
Base-Base interactions energy: -1027.656
where: short stacking energy: -422.970
Base-Backbone interact. energy: 1.791
local terms energy: -433.614587
where:
bonds (distance) C4'-P energy: -82.922
bonds (distance) P-C4' energy: -93.980
flat angles C4'-P-C4' energy: -82.693
flat angles P-C4'-P energy: -57.947
tors. eta vs tors. theta energy: -116.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1217.338912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.338912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.338912 (E_RNA)
where:
Base-Base interactions energy: -819.299
where: short stacking energy: -351.968
Base-Backbone interact. energy: -0.379
local terms energy: -397.661114
where:
bonds (distance) C4'-P energy: -73.339
bonds (distance) P-C4' energy: -68.997
flat angles C4'-P-C4' energy: -98.076
flat angles P-C4'-P energy: -67.109
tors. eta vs tors. theta energy: -90.139
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: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1157.831362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.831362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.831362 (E_RNA)
where:
Base-Base interactions energy: -764.342
where: short stacking energy: -337.892
Base-Backbone interact. energy: -2.138
local terms energy: -391.350898
where:
bonds (distance) C4'-P energy: -88.230
bonds (distance) P-C4' energy: -78.247
flat angles C4'-P-C4' energy: -76.563
flat angles P-C4'-P energy: -57.457
tors. eta vs tors. theta energy: -90.854
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: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -938.908582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.908582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.908582 (E_RNA)
where:
Base-Base interactions energy: -603.480
where: short stacking energy: -266.843
Base-Backbone interact. energy: -0.146
local terms energy: -335.281749
where:
bonds (distance) C4'-P energy: -77.142
bonds (distance) P-C4' energy: -65.809
flat angles C4'-P-C4' energy: -83.085
flat angles P-C4'-P energy: -55.598
tors. eta vs tors. theta energy: -53.647
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: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1859.210334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.210334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.210334 (E_RNA)
where:
Base-Base interactions energy: -1318.031
where: short stacking energy: -558.072
Base-Backbone interact. energy: -4.700
local terms energy: -536.479121
where:
bonds (distance) C4'-P energy: -90.672
bonds (distance) P-C4' energy: -92.999
flat angles C4'-P-C4' energy: -117.253
flat angles P-C4'-P energy: -83.313
tors. eta vs tors. theta energy: -152.243
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: 234
Temperature: 0.950000
Total energy: -1828.794956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.794956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.794956 (E_RNA)
where:
Base-Base interactions energy: -1261.473
where: short stacking energy: -542.155
Base-Backbone interact. energy: -2.832
local terms energy: -564.490530
where:
bonds (distance) C4'-P energy: -100.392
bonds (distance) P-C4' energy: -102.058
flat angles C4'-P-C4' energy: -120.320
flat angles P-C4'-P energy: -84.354
tors. eta vs tors. theta energy: -157.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1765.359398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.359398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.359398 (E_RNA)
where:
Base-Base interactions energy: -1268.338
where: short stacking energy: -527.526
Base-Backbone interact. energy: -1.835
local terms energy: -495.186115
where:
bonds (distance) C4'-P energy: -87.859
bonds (distance) P-C4' energy: -75.203
flat angles C4'-P-C4' energy: -104.510
flat angles P-C4'-P energy: -76.151
tors. eta vs tors. theta energy: -151.463
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: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1706.625590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.625590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.625590 (E_RNA)
where:
Base-Base interactions energy: -1191.745
where: short stacking energy: -505.291
Base-Backbone interact. energy: -1.337
local terms energy: -513.543674
where:
bonds (distance) C4'-P energy: -92.357
bonds (distance) P-C4' energy: -88.355
flat angles C4'-P-C4' energy: -113.874
flat angles P-C4'-P energy: -71.103
tors. eta vs tors. theta energy: -147.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1615.698259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.698259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.698259 (E_RNA)
where:
Base-Base interactions energy: -1159.001
where: short stacking energy: -480.403
Base-Backbone interact. energy: -0.551
local terms energy: -456.146217
where:
bonds (distance) C4'-P energy: -82.292
bonds (distance) P-C4' energy: -79.674
flat angles C4'-P-C4' energy: -107.969
flat angles P-C4'-P energy: -62.673
tors. eta vs tors. theta energy: -123.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1547.044956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.044956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.044956 (E_RNA)
where:
Base-Base interactions energy: -1095.117
where: short stacking energy: -452.106
Base-Backbone interact. energy: -1.321
local terms energy: -450.607346
where:
bonds (distance) C4'-P energy: -82.199
bonds (distance) P-C4' energy: -73.186
flat angles C4'-P-C4' energy: -101.083
flat angles P-C4'-P energy: -61.817
tors. eta vs tors. theta energy: -132.323
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: 234
Temperature: 1.200000
Total energy: -1503.728045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.728045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.728045 (E_RNA)
where:
Base-Base interactions energy: -1034.287
where: short stacking energy: -422.848
Base-Backbone interact. energy: 0.512
local terms energy: -469.953125
where:
bonds (distance) C4'-P energy: -81.716
bonds (distance) P-C4' energy: -87.587
flat angles C4'-P-C4' energy: -104.840
flat angles P-C4'-P energy: -72.380
tors. eta vs tors. theta energy: -123.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1219.058576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.058576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.058576 (E_RNA)
where:
Base-Base interactions energy: -823.755
where: short stacking energy: -375.774
Base-Backbone interact. energy: -2.303
local terms energy: -393.000672
where:
bonds (distance) C4'-P energy: -75.640
bonds (distance) P-C4' energy: -70.776
flat angles C4'-P-C4' energy: -89.771
flat angles P-C4'-P energy: -56.263
tors. eta vs tors. theta energy: -100.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1171.970992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.970992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.970992 (E_RNA)
where:
Base-Base interactions energy: -797.233
where: short stacking energy: -338.531
Base-Backbone interact. energy: -2.630
local terms energy: -372.107140
where:
bonds (distance) C4'-P energy: -72.319
bonds (distance) P-C4' energy: -74.613
flat angles C4'-P-C4' energy: -88.191
flat angles P-C4'-P energy: -61.880
tors. eta vs tors. theta energy: -75.105
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: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -937.024197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.024197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.024197 (E_RNA)
where:
Base-Base interactions energy: -626.218
where: short stacking energy: -285.481
Base-Backbone interact. energy: 2.447
local terms energy: -313.253155
where:
bonds (distance) C4'-P energy: -65.117
bonds (distance) P-C4' energy: -77.969
flat angles C4'-P-C4' energy: -73.447
flat angles P-C4'-P energy: -45.397
tors. eta vs tors. theta energy: -51.323
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: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1839.250225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.250225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.250225 (E_RNA)
where:
Base-Base interactions energy: -1296.408
where: short stacking energy: -512.619
Base-Backbone interact. energy: 0.139
local terms energy: -542.980758
where:
bonds (distance) C4'-P energy: -99.515
bonds (distance) P-C4' energy: -100.089
flat angles C4'-P-C4' energy: -112.308
flat angles P-C4'-P energy: -75.291
tors. eta vs tors. theta energy: -155.777
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: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1810.462749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.462749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.462749 (E_RNA)
where:
Base-Base interactions energy: -1273.630
where: short stacking energy: -529.831
Base-Backbone interact. energy: -1.706
local terms energy: -535.126293
where:
bonds (distance) C4'-P energy: -100.186
bonds (distance) P-C4' energy: -96.882
flat angles C4'-P-C4' energy: -111.071
flat angles P-C4'-P energy: -74.989
tors. eta vs tors. theta energy: -151.999
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: 235
Temperature: 1.000000
Total energy: -1774.658506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.658506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.658506 (E_RNA)
where:
Base-Base interactions energy: -1249.824
where: short stacking energy: -510.764
Base-Backbone interact. energy: -1.881
local terms energy: -522.953831
where:
bonds (distance) C4'-P energy: -98.698
bonds (distance) P-C4' energy: -91.778
flat angles C4'-P-C4' energy: -97.830
flat angles P-C4'-P energy: -77.039
tors. eta vs tors. theta energy: -157.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1690.584914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.584914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.584914 (E_RNA)
where:
Base-Base interactions energy: -1192.321
where: short stacking energy: -486.064
Base-Backbone interact. energy: 0.697
local terms energy: -498.961428
where:
bonds (distance) C4'-P energy: -83.293
bonds (distance) P-C4' energy: -94.873
flat angles C4'-P-C4' energy: -109.221
flat angles P-C4'-P energy: -76.053
tors. eta vs tors. theta energy: -135.521
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: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1651.650966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.650966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.650966 (E_RNA)
where:
Base-Base interactions energy: -1182.056
where: short stacking energy: -495.096
Base-Backbone interact. energy: 6.109
local terms energy: -475.704366
where:
bonds (distance) C4'-P energy: -87.446
bonds (distance) P-C4' energy: -81.833
flat angles C4'-P-C4' energy: -96.174
flat angles P-C4'-P energy: -60.939
tors. eta vs tors. theta energy: -149.313
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: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1534.548244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.548244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.548244 (E_RNA)
where:
Base-Base interactions energy: -1077.313
where: short stacking energy: -450.880
Base-Backbone interact. energy: -0.970
local terms energy: -456.265375
where:
bonds (distance) C4'-P energy: -78.244
bonds (distance) P-C4' energy: -81.690
flat angles C4'-P-C4' energy: -100.222
flat angles P-C4'-P energy: -69.594
tors. eta vs tors. theta energy: -126.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1489.531611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.531611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.531611 (E_RNA)
where:
Base-Base interactions energy: -1052.920
where: short stacking energy: -427.330
Base-Backbone interact. energy: -2.483
local terms energy: -434.128459
where:
bonds (distance) C4'-P energy: -83.721
bonds (distance) P-C4' energy: -78.584
flat angles C4'-P-C4' energy: -87.670
flat angles P-C4'-P energy: -58.121
tors. eta vs tors. theta energy: -126.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1291.050974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.050974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.050974 (E_RNA)
where:
Base-Base interactions energy: -862.189
where: short stacking energy: -353.708
Base-Backbone interact. energy: -0.956
local terms energy: -427.905922
where:
bonds (distance) C4'-P energy: -69.139
bonds (distance) P-C4' energy: -76.023
flat angles C4'-P-C4' energy: -112.009
flat angles P-C4'-P energy: -65.413
tors. eta vs tors. theta energy: -105.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1160.533042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.533042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.533042 (E_RNA)
where:
Base-Base interactions energy: -784.723
where: short stacking energy: -313.580
Base-Backbone interact. energy: -0.662
local terms energy: -375.148067
where:
bonds (distance) C4'-P energy: -93.928
bonds (distance) P-C4' energy: -79.833
flat angles C4'-P-C4' energy: -71.389
flat angles P-C4'-P energy: -54.479
tors. eta vs tors. theta energy: -75.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -914.463688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.463688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.463688 (E_RNA)
where:
Base-Base interactions energy: -570.727
where: short stacking energy: -248.054
Base-Backbone interact. energy: -3.750
local terms energy: -339.987203
where:
bonds (distance) C4'-P energy: -85.173
bonds (distance) P-C4' energy: -83.492
flat angles C4'-P-C4' energy: -82.915
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -57.188
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: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1840.364140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.364140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.364140 (E_RNA)
where:
Base-Base interactions energy: -1312.474
where: short stacking energy: -529.324
Base-Backbone interact. energy: -2.229
local terms energy: -525.661126
where:
bonds (distance) C4'-P energy: -89.494
bonds (distance) P-C4' energy: -92.347
flat angles C4'-P-C4' energy: -110.520
flat angles P-C4'-P energy: -80.946
tors. eta vs tors. theta energy: -152.353
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: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1824.987079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.987079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.987079 (E_RNA)
where:
Base-Base interactions energy: -1298.366
where: short stacking energy: -537.697
Base-Backbone interact. energy: -2.109
local terms energy: -524.511287
where:
bonds (distance) C4'-P energy: -95.149
bonds (distance) P-C4' energy: -89.941
flat angles C4'-P-C4' energy: -106.208
flat angles P-C4'-P energy: -74.343
tors. eta vs tors. theta energy: -158.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1772.723584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.723584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.723584 (E_RNA)
where:
Base-Base interactions energy: -1267.272
where: short stacking energy: -526.200
Base-Backbone interact. energy: -2.209
local terms energy: -503.242703
where:
bonds (distance) C4'-P energy: -92.502
bonds (distance) P-C4' energy: -84.986
flat angles C4'-P-C4' energy: -100.575
flat angles P-C4'-P energy: -69.736
tors. eta vs tors. theta energy: -155.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1669.938698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.938698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.938698 (E_RNA)
where:
Base-Base interactions energy: -1178.473
where: short stacking energy: -476.957
Base-Backbone interact. energy: -1.781
local terms energy: -489.684278
where:
bonds (distance) C4'-P energy: -98.529
bonds (distance) P-C4' energy: -89.265
flat angles C4'-P-C4' energy: -108.601
flat angles P-C4'-P energy: -62.431
tors. eta vs tors. theta energy: -130.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1635.394638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.394638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.394638 (E_RNA)
where:
Base-Base interactions energy: -1133.998
where: short stacking energy: -487.454
Base-Backbone interact. energy: -0.217
local terms energy: -501.179423
where:
bonds (distance) C4'-P energy: -82.740
bonds (distance) P-C4' energy: -99.239
flat angles C4'-P-C4' energy: -107.078
flat angles P-C4'-P energy: -64.824
tors. eta vs tors. theta energy: -147.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1557.114666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.114666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.114666 (E_RNA)
where:
Base-Base interactions energy: -1081.160
where: short stacking energy: -452.596
Base-Backbone interact. energy: 0.839
local terms energy: -476.793487
where:
bonds (distance) C4'-P energy: -86.902
bonds (distance) P-C4' energy: -83.205
flat angles C4'-P-C4' energy: -110.529
flat angles P-C4'-P energy: -65.162
tors. eta vs tors. theta energy: -130.996
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: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1502.192994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.192994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.192994 (E_RNA)
where:
Base-Base interactions energy: -1075.768
where: short stacking energy: -438.159
Base-Backbone interact. energy: -1.848
local terms energy: -424.576985
where:
bonds (distance) C4'-P energy: -55.007
bonds (distance) P-C4' energy: -92.783
flat angles C4'-P-C4' energy: -86.925
flat angles P-C4'-P energy: -57.859
tors. eta vs tors. theta energy: -132.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1214.539686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.539686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.539686 (E_RNA)
where:
Base-Base interactions energy: -832.451
where: short stacking energy: -354.970
Base-Backbone interact. energy: 1.536
local terms energy: -383.624719
where:
bonds (distance) C4'-P energy: -81.937
bonds (distance) P-C4' energy: -76.588
flat angles C4'-P-C4' energy: -88.392
flat angles P-C4'-P energy: -53.323
tors. eta vs tors. theta energy: -83.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1218.390424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.390424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.390424 (E_RNA)
where:
Base-Base interactions energy: -843.585
where: short stacking energy: -354.341
Base-Backbone interact. energy: -0.119
local terms energy: -374.686704
where:
bonds (distance) C4'-P energy: -66.271
bonds (distance) P-C4' energy: -77.157
flat angles C4'-P-C4' energy: -85.104
flat angles P-C4'-P energy: -59.741
tors. eta vs tors. theta energy: -86.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -886.970984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.970984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.970984 (E_RNA)
where:
Base-Base interactions energy: -563.172
where: short stacking energy: -265.971
Base-Backbone interact. energy: -1.828
local terms energy: -321.971014
where:
bonds (distance) C4'-P energy: -68.092
bonds (distance) P-C4' energy: -88.356
flat angles C4'-P-C4' energy: -73.584
flat angles P-C4'-P energy: -42.396
tors. eta vs tors. theta energy: -49.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1830.094917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.094917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.094917 (E_RNA)
where:
Base-Base interactions energy: -1269.939
where: short stacking energy: -543.354
Base-Backbone interact. energy: -4.188
local terms energy: -555.968531
where:
bonds (distance) C4'-P energy: -86.542
bonds (distance) P-C4' energy: -105.329
flat angles C4'-P-C4' energy: -121.753
flat angles P-C4'-P energy: -83.197
tors. eta vs tors. theta energy: -159.148
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: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1808.548933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.548933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.548933 (E_RNA)
where:
Base-Base interactions energy: -1282.420
where: short stacking energy: -529.842
Base-Backbone interact. energy: 0.149
local terms energy: -526.277875
where:
bonds (distance) C4'-P energy: -89.889
bonds (distance) P-C4' energy: -89.270
flat angles C4'-P-C4' energy: -107.175
flat angles P-C4'-P energy: -79.179
tors. eta vs tors. theta energy: -160.764
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: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1761.307032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.307032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.307032 (E_RNA)
where:
Base-Base interactions energy: -1253.577
where: short stacking energy: -518.087
Base-Backbone interact. energy: -3.041
local terms energy: -504.688596
where:
bonds (distance) C4'-P energy: -81.850
bonds (distance) P-C4' energy: -81.406
flat angles C4'-P-C4' energy: -101.969
flat angles P-C4'-P energy: -84.491
tors. eta vs tors. theta energy: -154.974
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: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1656.403553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.403553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.403553 (E_RNA)
where:
Base-Base interactions energy: -1155.167
where: short stacking energy: -471.858
Base-Backbone interact. energy: -0.664
local terms energy: -500.572513
where:
bonds (distance) C4'-P energy: -95.457
bonds (distance) P-C4' energy: -96.341
flat angles C4'-P-C4' energy: -109.368
flat angles P-C4'-P energy: -66.825
tors. eta vs tors. theta energy: -132.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1642.779317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.779317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.779317 (E_RNA)
where:
Base-Base interactions energy: -1160.808
where: short stacking energy: -482.985
Base-Backbone interact. energy: -0.981
local terms energy: -480.990466
where:
bonds (distance) C4'-P energy: -88.666
bonds (distance) P-C4' energy: -84.246
flat angles C4'-P-C4' energy: -110.218
flat angles P-C4'-P energy: -61.332
tors. eta vs tors. theta energy: -136.528
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: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1548.863441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.863441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.863441 (E_RNA)
where:
Base-Base interactions energy: -1068.244
where: short stacking energy: -446.843
Base-Backbone interact. energy: -1.482
local terms energy: -479.137946
where:
bonds (distance) C4'-P energy: -84.956
bonds (distance) P-C4' energy: -101.085
flat angles C4'-P-C4' energy: -98.746
flat angles P-C4'-P energy: -55.394
tors. eta vs tors. theta energy: -138.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1440.873831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.873831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.873831 (E_RNA)
where:
Base-Base interactions energy: -1014.939
where: short stacking energy: -428.069
Base-Backbone interact. energy: 1.125
local terms energy: -427.060297
where:
bonds (distance) C4'-P energy: -79.907
bonds (distance) P-C4' energy: -71.836
flat angles C4'-P-C4' energy: -92.724
flat angles P-C4'-P energy: -64.449
tors. eta vs tors. theta energy: -118.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1225.097528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.097528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.097528 (E_RNA)
where:
Base-Base interactions energy: -831.933
where: short stacking energy: -346.312
Base-Backbone interact. energy: 0.653
local terms energy: -393.817363
where:
bonds (distance) C4'-P energy: -81.079
bonds (distance) P-C4' energy: -93.393
flat angles C4'-P-C4' energy: -94.651
flat angles P-C4'-P energy: -45.458
tors. eta vs tors. theta energy: -79.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1213.284027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.284027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.284027 (E_RNA)
where:
Base-Base interactions energy: -820.928
where: short stacking energy: -350.792
Base-Backbone interact. energy: -3.266
local terms energy: -389.090236
where:
bonds (distance) C4'-P energy: -73.564
bonds (distance) P-C4' energy: -75.630
flat angles C4'-P-C4' energy: -84.764
flat angles P-C4'-P energy: -62.076
tors. eta vs tors. theta energy: -93.056
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: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -887.079614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.079614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.079614 (E_RNA)
where:
Base-Base interactions energy: -584.162
where: short stacking energy: -246.680
Base-Backbone interact. energy: -1.299
local terms energy: -301.618693
where:
bonds (distance) C4'-P energy: -76.767
bonds (distance) P-C4' energy: -82.392
flat angles C4'-P-C4' energy: -72.859
flat angles P-C4'-P energy: -30.681
tors. eta vs tors. theta energy: -38.919
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: 238
Temperature: 0.900000
Total energy: -1853.157152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.157152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.157152 (E_RNA)
where:
Base-Base interactions energy: -1307.801
where: short stacking energy: -534.344
Base-Backbone interact. energy: -3.652
local terms energy: -541.703407
where:
bonds (distance) C4'-P energy: -94.590
bonds (distance) P-C4' energy: -103.488
flat angles C4'-P-C4' energy: -110.453
flat angles P-C4'-P energy: -77.005
tors. eta vs tors. theta energy: -156.168
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: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1800.690225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.690225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.690225 (E_RNA)
where:
Base-Base interactions energy: -1278.656
where: short stacking energy: -541.469
Base-Backbone interact. energy: -0.684
local terms energy: -521.349849
where:
bonds (distance) C4'-P energy: -83.991
bonds (distance) P-C4' energy: -94.907
flat angles C4'-P-C4' energy: -114.821
flat angles P-C4'-P energy: -76.066
tors. eta vs tors. theta energy: -151.566
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: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1754.660612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.660612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.660612 (E_RNA)
where:
Base-Base interactions energy: -1235.100
where: short stacking energy: -516.091
Base-Backbone interact. energy: -1.326
local terms energy: -518.234544
where:
bonds (distance) C4'-P energy: -88.119
bonds (distance) P-C4' energy: -100.414
flat angles C4'-P-C4' energy: -107.144
flat angles P-C4'-P energy: -76.533
tors. eta vs tors. theta energy: -146.024
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: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1679.305100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.305100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.305100 (E_RNA)
where:
Base-Base interactions energy: -1188.807
where: short stacking energy: -482.816
Base-Backbone interact. energy: 0.626
local terms energy: -491.123899
where:
bonds (distance) C4'-P energy: -79.120
bonds (distance) P-C4' energy: -88.499
flat angles C4'-P-C4' energy: -107.062
flat angles P-C4'-P energy: -75.113
tors. eta vs tors. theta energy: -141.329
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: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1649.106458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.106458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.106458 (E_RNA)
where:
Base-Base interactions energy: -1178.966
where: short stacking energy: -490.099
Base-Backbone interact. energy: 0.048
local terms energy: -470.187921
where:
bonds (distance) C4'-P energy: -95.664
bonds (distance) P-C4' energy: -79.535
flat angles C4'-P-C4' energy: -103.763
flat angles P-C4'-P energy: -52.839
tors. eta vs tors. theta energy: -138.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1541.766137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.766137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.766137 (E_RNA)
where:
Base-Base interactions energy: -1073.101
where: short stacking energy: -456.741
Base-Backbone interact. energy: -2.022
local terms energy: -466.642414
where:
bonds (distance) C4'-P energy: -89.494
bonds (distance) P-C4' energy: -91.965
flat angles C4'-P-C4' energy: -92.650
flat angles P-C4'-P energy: -70.852
tors. eta vs tors. theta energy: -121.682
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: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1436.818211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.818211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.818211 (E_RNA)
where:
Base-Base interactions energy: -1001.018
where: short stacking energy: -434.658
Base-Backbone interact. energy: -1.778
local terms energy: -434.022407
where:
bonds (distance) C4'-P energy: -78.350
bonds (distance) P-C4' energy: -84.103
flat angles C4'-P-C4' energy: -97.422
flat angles P-C4'-P energy: -64.153
tors. eta vs tors. theta energy: -109.994
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: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1280.439865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.439865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.439865 (E_RNA)
where:
Base-Base interactions energy: -867.415
where: short stacking energy: -360.067
Base-Backbone interact. energy: -0.338
local terms energy: -412.686234
where:
bonds (distance) C4'-P energy: -91.664
bonds (distance) P-C4' energy: -88.569
flat angles C4'-P-C4' energy: -88.850
flat angles P-C4'-P energy: -48.725
tors. eta vs tors. theta energy: -94.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1186.673601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.673601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.673601 (E_RNA)
where:
Base-Base interactions energy: -804.254
where: short stacking energy: -329.043
Base-Backbone interact. energy: 3.663
local terms energy: -386.081750
where:
bonds (distance) C4'-P energy: -62.900
bonds (distance) P-C4' energy: -89.031
flat angles C4'-P-C4' energy: -81.222
flat angles P-C4'-P energy: -60.127
tors. eta vs tors. theta energy: -92.801
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: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -880.530874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.530874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.530874 (E_RNA)
where:
Base-Base interactions energy: -563.406
where: short stacking energy: -251.056
Base-Backbone interact. energy: 2.728
local terms energy: -319.853024
where:
bonds (distance) C4'-P energy: -90.172
bonds (distance) P-C4' energy: -82.516
flat angles C4'-P-C4' energy: -68.701
flat angles P-C4'-P energy: -35.389
tors. eta vs tors. theta energy: -43.075
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: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1852.534049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.534049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.534049 (E_RNA)
where:
Base-Base interactions energy: -1314.714
where: short stacking energy: -542.983
Base-Backbone interact. energy: -0.042
local terms energy: -537.777898
where:
bonds (distance) C4'-P energy: -102.678
bonds (distance) P-C4' energy: -102.546
flat angles C4'-P-C4' energy: -105.341
flat angles P-C4'-P energy: -70.956
tors. eta vs tors. theta energy: -156.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1810.856996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.856996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.856996 (E_RNA)
where:
Base-Base interactions energy: -1269.521
where: short stacking energy: -539.036
Base-Backbone interact. energy: -1.787
local terms energy: -539.549159
where:
bonds (distance) C4'-P energy: -93.453
bonds (distance) P-C4' energy: -97.276
flat angles C4'-P-C4' energy: -115.818
flat angles P-C4'-P energy: -77.266
tors. eta vs tors. theta energy: -155.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1758.204757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.204757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.204757 (E_RNA)
where:
Base-Base interactions energy: -1233.583
where: short stacking energy: -519.338
Base-Backbone interact. energy: -1.206
local terms energy: -523.415706
where:
bonds (distance) C4'-P energy: -100.714
bonds (distance) P-C4' energy: -85.575
flat angles C4'-P-C4' energy: -106.725
flat angles P-C4'-P energy: -79.255
tors. eta vs tors. theta energy: -151.147
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: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1668.333749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.333749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.333749 (E_RNA)
where:
Base-Base interactions energy: -1177.065
where: short stacking energy: -489.790
Base-Backbone interact. energy: -0.787
local terms energy: -490.481801
where:
bonds (distance) C4'-P energy: -88.033
bonds (distance) P-C4' energy: -75.636
flat angles C4'-P-C4' energy: -105.478
flat angles P-C4'-P energy: -75.463
tors. eta vs tors. theta energy: -145.871
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: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1645.609729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.609729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.609729 (E_RNA)
where:
Base-Base interactions energy: -1156.730
where: short stacking energy: -482.966
Base-Backbone interact. energy: -1.186
local terms energy: -487.693647
where:
bonds (distance) C4'-P energy: -87.733
bonds (distance) P-C4' energy: -91.800
flat angles C4'-P-C4' energy: -94.531
flat angles P-C4'-P energy: -66.011
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: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1532.088803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.088803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.088803 (E_RNA)
where:
Base-Base interactions energy: -1073.660
where: short stacking energy: -453.225
Base-Backbone interact. energy: 1.129
local terms energy: -459.557649
where:
bonds (distance) C4'-P energy: -97.769
bonds (distance) P-C4' energy: -86.405
flat angles C4'-P-C4' energy: -96.485
flat angles P-C4'-P energy: -50.308
tors. eta vs tors. theta energy: -128.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1460.250600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.250600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.250600 (E_RNA)
where:
Base-Base interactions energy: -1025.879
where: short stacking energy: -415.975
Base-Backbone interact. energy: -0.399
local terms energy: -433.973210
where:
bonds (distance) C4'-P energy: -75.721
bonds (distance) P-C4' energy: -83.088
flat angles C4'-P-C4' energy: -103.299
flat angles P-C4'-P energy: -54.324
tors. eta vs tors. theta energy: -117.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1271.209762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.209762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.209762 (E_RNA)
where:
Base-Base interactions energy: -878.259
where: short stacking energy: -362.450
Base-Backbone interact. energy: 2.001
local terms energy: -394.952305
where:
bonds (distance) C4'-P energy: -60.786
bonds (distance) P-C4' energy: -97.153
flat angles C4'-P-C4' energy: -87.658
flat angles P-C4'-P energy: -49.892
tors. eta vs tors. theta energy: -99.463
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: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1156.924109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.924109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.924109 (E_RNA)
where:
Base-Base interactions energy: -764.826
where: short stacking energy: -319.047
Base-Backbone interact. energy: -0.470
local terms energy: -391.629043
where:
bonds (distance) C4'-P energy: -81.833
bonds (distance) P-C4' energy: -96.257
flat angles C4'-P-C4' energy: -81.409
flat angles P-C4'-P energy: -49.603
tors. eta vs tors. theta energy: -82.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -841.468766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.468766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.468766 (E_RNA)
where:
Base-Base interactions energy: -543.271
where: short stacking energy: -234.960
Base-Backbone interact. energy: 1.345
local terms energy: -299.542665
where:
bonds (distance) C4'-P energy: -62.773
bonds (distance) P-C4' energy: -67.626
flat angles C4'-P-C4' energy: -90.838
flat angles P-C4'-P energy: -48.165
tors. eta vs tors. theta energy: -30.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1825.260923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.260923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.260923 (E_RNA)
where:
Base-Base interactions energy: -1292.645
where: short stacking energy: -531.074
Base-Backbone interact. energy: -2.496
local terms energy: -530.119221
where:
bonds (distance) C4'-P energy: -92.152
bonds (distance) P-C4' energy: -102.340
flat angles C4'-P-C4' energy: -103.618
flat angles P-C4'-P energy: -77.315
tors. eta vs tors. theta energy: -154.693
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: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1804.383694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.383694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.383694 (E_RNA)
where:
Base-Base interactions energy: -1256.274
where: short stacking energy: -537.017
Base-Backbone interact. energy: -2.110
local terms energy: -545.999862
where:
bonds (distance) C4'-P energy: -100.073
bonds (distance) P-C4' energy: -94.249
flat angles C4'-P-C4' energy: -118.730
flat angles P-C4'-P energy: -76.153
tors. eta vs tors. theta energy: -156.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1736.865688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.865688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.865688 (E_RNA)
where:
Base-Base interactions energy: -1213.423
where: short stacking energy: -502.756
Base-Backbone interact. energy: -1.539
local terms energy: -521.903322
where:
bonds (distance) C4'-P energy: -91.340
bonds (distance) P-C4' energy: -87.916
flat angles C4'-P-C4' energy: -114.776
flat angles P-C4'-P energy: -81.812
tors. eta vs tors. theta energy: -146.060
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: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1700.173065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.173065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.173065 (E_RNA)
where:
Base-Base interactions energy: -1181.231
where: short stacking energy: -506.460
Base-Backbone interact. energy: -2.026
local terms energy: -516.915368
where:
bonds (distance) C4'-P energy: -104.295
bonds (distance) P-C4' energy: -89.453
flat angles C4'-P-C4' energy: -112.825
flat angles P-C4'-P energy: -66.366
tors. eta vs tors. theta energy: -143.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1667.386030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.386030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.386030 (E_RNA)
where:
Base-Base interactions energy: -1163.038
where: short stacking energy: -494.099
Base-Backbone interact. energy: -0.736
local terms energy: -503.611471
where:
bonds (distance) C4'-P energy: -83.279
bonds (distance) P-C4' energy: -92.829
flat angles C4'-P-C4' energy: -110.986
flat angles P-C4'-P energy: -64.298
tors. eta vs tors. theta energy: -152.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1554.031837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.031837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.031837 (E_RNA)
where:
Base-Base interactions energy: -1091.020
where: short stacking energy: -453.415
Base-Backbone interact. energy: 0.296
local terms energy: -463.308310
where:
bonds (distance) C4'-P energy: -82.056
bonds (distance) P-C4' energy: -87.198
flat angles C4'-P-C4' energy: -90.327
flat angles P-C4'-P energy: -74.489
tors. eta vs tors. theta energy: -129.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1421.193509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.193509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.193509 (E_RNA)
where:
Base-Base interactions energy: -995.997
where: short stacking energy: -424.479
Base-Backbone interact. energy: -1.463
local terms energy: -423.732999
where:
bonds (distance) C4'-P energy: -76.460
bonds (distance) P-C4' energy: -77.954
flat angles C4'-P-C4' energy: -97.056
flat angles P-C4'-P energy: -60.539
tors. eta vs tors. theta energy: -111.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1327.702154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.702154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.702154 (E_RNA)
where:
Base-Base interactions energy: -918.058
where: short stacking energy: -388.945
Base-Backbone interact. energy: -1.330
local terms energy: -408.313990
where:
bonds (distance) C4'-P energy: -78.973
bonds (distance) P-C4' energy: -89.377
flat angles C4'-P-C4' energy: -91.204
flat angles P-C4'-P energy: -43.211
tors. eta vs tors. theta energy: -105.549
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: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1156.754678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.754678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.754678 (E_RNA)
where:
Base-Base interactions energy: -768.371
where: short stacking energy: -319.807
Base-Backbone interact. energy: -1.198
local terms energy: -387.185594
where:
bonds (distance) C4'-P energy: -79.151
bonds (distance) P-C4' energy: -91.732
flat angles C4'-P-C4' energy: -86.498
flat angles P-C4'-P energy: -60.291
tors. eta vs tors. theta energy: -69.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -842.583039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.583039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.583039 (E_RNA)
where:
Base-Base interactions energy: -523.636
where: short stacking energy: -241.465
Base-Backbone interact. energy: -0.217
local terms energy: -318.729651
where:
bonds (distance) C4'-P energy: -84.883
bonds (distance) P-C4' energy: -81.773
flat angles C4'-P-C4' energy: -71.584
flat angles P-C4'-P energy: -51.700
tors. eta vs tors. theta energy: -28.791
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: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1836.018238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.018238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.018238 (E_RNA)
where:
Base-Base interactions energy: -1293.755
where: short stacking energy: -534.069
Base-Backbone interact. energy: -3.158
local terms energy: -539.105285
where:
bonds (distance) C4'-P energy: -96.964
bonds (distance) P-C4' energy: -96.149
flat angles C4'-P-C4' energy: -107.943
flat angles P-C4'-P energy: -78.978
tors. eta vs tors. theta energy: -159.071
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: 241
Temperature: 0.950000
Total energy: -1809.394322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.394322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.394322 (E_RNA)
where:
Base-Base interactions energy: -1258.414
where: short stacking energy: -534.984
Base-Backbone interact. energy: -2.035
local terms energy: -548.944589
where:
bonds (distance) C4'-P energy: -94.979
bonds (distance) P-C4' energy: -106.199
flat angles C4'-P-C4' energy: -102.735
flat angles P-C4'-P energy: -82.962
tors. eta vs tors. theta energy: -162.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1763.682166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.682166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.682166 (E_RNA)
where:
Base-Base interactions energy: -1249.472
where: short stacking energy: -508.040
Base-Backbone interact. energy: -2.458
local terms energy: -511.752489
where:
bonds (distance) C4'-P energy: -88.650
bonds (distance) P-C4' energy: -98.524
flat angles C4'-P-C4' energy: -106.528
flat angles P-C4'-P energy: -73.102
tors. eta vs tors. theta energy: -144.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1680.531441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.531441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.531441 (E_RNA)
where:
Base-Base interactions energy: -1188.451
where: short stacking energy: -496.898
Base-Backbone interact. energy: -3.682
local terms energy: -488.398642
where:
bonds (distance) C4'-P energy: -69.059
bonds (distance) P-C4' energy: -99.414
flat angles C4'-P-C4' energy: -112.158
flat angles P-C4'-P energy: -67.181
tors. eta vs tors. theta energy: -140.585
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: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1670.813475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.813475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.813475 (E_RNA)
where:
Base-Base interactions energy: -1176.125
where: short stacking energy: -490.119
Base-Backbone interact. energy: -0.848
local terms energy: -493.840303
where:
bonds (distance) C4'-P energy: -93.545
bonds (distance) P-C4' energy: -75.758
flat angles C4'-P-C4' energy: -108.380
flat angles P-C4'-P energy: -76.867
tors. eta vs tors. theta energy: -139.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1523.140401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.140401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.140401 (E_RNA)
where:
Base-Base interactions energy: -1060.435
where: short stacking energy: -435.338
Base-Backbone interact. energy: -1.411
local terms energy: -461.294856
where:
bonds (distance) C4'-P energy: -85.359
bonds (distance) P-C4' energy: -80.571
flat angles C4'-P-C4' energy: -108.522
flat angles P-C4'-P energy: -65.661
tors. eta vs tors. theta energy: -121.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1439.774267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.774267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.774267 (E_RNA)
where:
Base-Base interactions energy: -1001.299
where: short stacking energy: -413.605
Base-Backbone interact. energy: -1.554
local terms energy: -436.921363
where:
bonds (distance) C4'-P energy: -79.057
bonds (distance) P-C4' energy: -82.690
flat angles C4'-P-C4' energy: -85.643
flat angles P-C4'-P energy: -68.840
tors. eta vs tors. theta energy: -120.691
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: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1325.976422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.976422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.976422 (E_RNA)
where:
Base-Base interactions energy: -933.237
where: short stacking energy: -384.600
Base-Backbone interact. energy: -0.862
local terms energy: -391.876986
where:
bonds (distance) C4'-P energy: -77.260
bonds (distance) P-C4' energy: -71.355
flat angles C4'-P-C4' energy: -92.193
flat angles P-C4'-P energy: -58.784
tors. eta vs tors. theta energy: -92.285
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: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1139.467106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.467106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.467106 (E_RNA)
where:
Base-Base interactions energy: -775.597
where: short stacking energy: -315.961
Base-Backbone interact. energy: -1.701
local terms energy: -362.169631
where:
bonds (distance) C4'-P energy: -91.677
bonds (distance) P-C4' energy: -64.302
flat angles C4'-P-C4' energy: -101.396
flat angles P-C4'-P energy: -36.000
tors. eta vs tors. theta energy: -68.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -820.056946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.056946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.056946 (E_RNA)
where:
Base-Base interactions energy: -503.247
where: short stacking energy: -179.048
Base-Backbone interact. energy: -3.944
local terms energy: -312.865984
where:
bonds (distance) C4'-P energy: -87.056
bonds (distance) P-C4' energy: -83.489
flat angles C4'-P-C4' energy: -63.962
flat angles P-C4'-P energy: -55.586
tors. eta vs tors. theta energy: -22.774
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: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1842.707895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.707895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.707895 (E_RNA)
where:
Base-Base interactions energy: -1296.466
where: short stacking energy: -538.544
Base-Backbone interact. energy: -1.506
local terms energy: -544.735803
where:
bonds (distance) C4'-P energy: -84.393
bonds (distance) P-C4' energy: -105.463
flat angles C4'-P-C4' energy: -115.317
flat angles P-C4'-P energy: -84.494
tors. eta vs tors. theta energy: -155.069
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: 242
Temperature: 0.950000
Total energy: -1792.397005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.397005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.397005 (E_RNA)
where:
Base-Base interactions energy: -1290.549
where: short stacking energy: -536.503
Base-Backbone interact. energy: 3.178
local terms energy: -505.025810
where:
bonds (distance) C4'-P energy: -85.058
bonds (distance) P-C4' energy: -84.533
flat angles C4'-P-C4' energy: -111.722
flat angles P-C4'-P energy: -77.256
tors. eta vs tors. theta energy: -146.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1745.176163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.176163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.176163 (E_RNA)
where:
Base-Base interactions energy: -1226.182
where: short stacking energy: -517.306
Base-Backbone interact. energy: -1.546
local terms energy: -517.448458
where:
bonds (distance) C4'-P energy: -82.164
bonds (distance) P-C4' energy: -103.702
flat angles C4'-P-C4' energy: -111.987
flat angles P-C4'-P energy: -77.248
tors. eta vs tors. theta energy: -142.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1691.970101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.970101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.970101 (E_RNA)
where:
Base-Base interactions energy: -1181.778
where: short stacking energy: -485.313
Base-Backbone interact. energy: -2.134
local terms energy: -508.058333
where:
bonds (distance) C4'-P energy: -89.012
bonds (distance) P-C4' energy: -95.599
flat angles C4'-P-C4' energy: -107.681
flat angles P-C4'-P energy: -74.325
tors. eta vs tors. theta energy: -141.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1689.219538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.219538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.219538 (E_RNA)
where:
Base-Base interactions energy: -1176.022
where: short stacking energy: -501.510
Base-Backbone interact. energy: -2.789
local terms energy: -510.409039
where:
bonds (distance) C4'-P energy: -96.664
bonds (distance) P-C4' energy: -97.438
flat angles C4'-P-C4' energy: -97.001
flat angles P-C4'-P energy: -73.926
tors. eta vs tors. theta energy: -145.379
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: 242
Temperature: 1.150000
Total energy: -1509.189327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.189327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.189327 (E_RNA)
where:
Base-Base interactions energy: -1080.466
where: short stacking energy: -434.368
Base-Backbone interact. energy: -0.865
local terms energy: -427.858966
where:
bonds (distance) C4'-P energy: -80.221
bonds (distance) P-C4' energy: -68.966
flat angles C4'-P-C4' energy: -103.230
flat angles P-C4'-P energy: -54.422
tors. eta vs tors. theta energy: -121.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1434.851421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.851421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.851421 (E_RNA)
where:
Base-Base interactions energy: -963.868
where: short stacking energy: -415.006
Base-Backbone interact. energy: -2.023
local terms energy: -468.959908
where:
bonds (distance) C4'-P energy: -92.828
bonds (distance) P-C4' energy: -92.960
flat angles C4'-P-C4' energy: -105.329
flat angles P-C4'-P energy: -54.794
tors. eta vs tors. theta energy: -123.050
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: 3
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1303.113343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.113343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.113343 (E_RNA)
where:
Base-Base interactions energy: -887.790
where: short stacking energy: -354.865
Base-Backbone interact. energy: 2.135
local terms energy: -417.458798
where:
bonds (distance) C4'-P energy: -74.834
bonds (distance) P-C4' energy: -81.949
flat angles C4'-P-C4' energy: -87.936
flat angles P-C4'-P energy: -70.280
tors. eta vs tors. theta energy: -102.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -1119.833742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.833742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.833742 (E_RNA)
where:
Base-Base interactions energy: -757.933
where: short stacking energy: -318.425
Base-Backbone interact. energy: -0.157
local terms energy: -361.743032
where:
bonds (distance) C4'-P energy: -83.135
bonds (distance) P-C4' energy: -84.991
flat angles C4'-P-C4' energy: -75.496
flat angles P-C4'-P energy: -51.691
tors. eta vs tors. theta energy: -66.431
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: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -850.015402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.015402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.015402 (E_RNA)
where:
Base-Base interactions energy: -538.629
where: short stacking energy: -242.998
Base-Backbone interact. energy: -1.272
local terms energy: -310.114500
where:
bonds (distance) C4'-P energy: -58.451
bonds (distance) P-C4' energy: -82.858
flat angles C4'-P-C4' energy: -74.276
flat angles P-C4'-P energy: -54.851
tors. eta vs tors. theta energy: -39.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1855.605142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.605142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.605142 (E_RNA)
where:
Base-Base interactions energy: -1317.145
where: short stacking energy: -551.813
Base-Backbone interact. energy: -4.815
local terms energy: -533.645134
where:
bonds (distance) C4'-P energy: -90.258
bonds (distance) P-C4' energy: -100.696
flat angles C4'-P-C4' energy: -105.776
flat angles P-C4'-P energy: -82.716
tors. eta vs tors. theta energy: -154.199
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: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1796.885837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.885837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.885837 (E_RNA)
where:
Base-Base interactions energy: -1269.476
where: short stacking energy: -527.707
Base-Backbone interact. energy: -2.527
local terms energy: -524.883543
where:
bonds (distance) C4'-P energy: -92.266
bonds (distance) P-C4' energy: -90.071
flat angles C4'-P-C4' energy: -105.084
flat angles P-C4'-P energy: -78.546
tors. eta vs tors. theta energy: -158.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1766.539084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.539084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.539084 (E_RNA)
where:
Base-Base interactions energy: -1252.242
where: short stacking energy: -538.139
Base-Backbone interact. energy: -2.340
local terms energy: -511.957565
where:
bonds (distance) C4'-P energy: -92.853
bonds (distance) P-C4' energy: -85.569
flat angles C4'-P-C4' energy: -108.636
flat angles P-C4'-P energy: -71.505
tors. eta vs tors. theta energy: -153.396
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: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1689.096049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.096049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.096049 (E_RNA)
where:
Base-Base interactions energy: -1195.473
where: short stacking energy: -504.423
Base-Backbone interact. energy: 0.663
local terms energy: -494.286160
where:
bonds (distance) C4'-P energy: -89.491
bonds (distance) P-C4' energy: -87.550
flat angles C4'-P-C4' energy: -98.842
flat angles P-C4'-P energy: -70.532
tors. eta vs tors. theta energy: -147.872
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: 243
Temperature: 1.100000
Total energy: -1630.605920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.605920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.605920 (E_RNA)
where:
Base-Base interactions energy: -1155.148
where: short stacking energy: -462.957
Base-Backbone interact. energy: -2.687
local terms energy: -472.770644
where:
bonds (distance) C4'-P energy: -74.862
bonds (distance) P-C4' energy: -88.153
flat angles C4'-P-C4' energy: -114.574
flat angles P-C4'-P energy: -63.492
tors. eta vs tors. theta energy: -131.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1598.071619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.071619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.071619 (E_RNA)
where:
Base-Base interactions energy: -1127.587
where: short stacking energy: -476.625
Base-Backbone interact. energy: -1.321
local terms energy: -469.163246
where:
bonds (distance) C4'-P energy: -87.114
bonds (distance) P-C4' energy: -80.990
flat angles C4'-P-C4' energy: -103.124
flat angles P-C4'-P energy: -62.391
tors. eta vs tors. theta energy: -135.543
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: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1437.835182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.835182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.835182 (E_RNA)
where:
Base-Base interactions energy: -998.670
where: short stacking energy: -411.729
Base-Backbone interact. energy: -0.947
local terms energy: -438.217796
where:
bonds (distance) C4'-P energy: -78.546
bonds (distance) P-C4' energy: -93.082
flat angles C4'-P-C4' energy: -92.950
flat angles P-C4'-P energy: -57.910
tors. eta vs tors. theta energy: -115.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1334.671358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.671358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.671358 (E_RNA)
where:
Base-Base interactions energy: -935.494
where: short stacking energy: -386.531
Base-Backbone interact. energy: 0.163
local terms energy: -399.340549
where:
bonds (distance) C4'-P energy: -62.855
bonds (distance) P-C4' energy: -64.463
flat angles C4'-P-C4' energy: -100.950
flat angles P-C4'-P energy: -58.428
tors. eta vs tors. theta energy: -112.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1093.234326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.234326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.234326 (E_RNA)
where:
Base-Base interactions energy: -745.510
where: short stacking energy: -320.658
Base-Backbone interact. energy: -3.275
local terms energy: -344.449424
where:
bonds (distance) C4'-P energy: -61.372
bonds (distance) P-C4' energy: -96.821
flat angles C4'-P-C4' energy: -77.928
flat angles P-C4'-P energy: -43.438
tors. eta vs tors. theta energy: -64.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -865.986957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.986957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.986957 (E_RNA)
where:
Base-Base interactions energy: -545.840
where: short stacking energy: -243.012
Base-Backbone interact. energy: -0.991
local terms energy: -319.155182
where:
bonds (distance) C4'-P energy: -76.853
bonds (distance) P-C4' energy: -74.218
flat angles C4'-P-C4' energy: -77.199
flat angles P-C4'-P energy: -54.462
tors. eta vs tors. theta energy: -36.425
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: 6
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1853.943296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.943296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.943296 (E_RNA)
where:
Base-Base interactions energy: -1306.509
where: short stacking energy: -528.792
Base-Backbone interact. energy: -3.105
local terms energy: -544.329282
where:
bonds (distance) C4'-P energy: -103.396
bonds (distance) P-C4' energy: -103.692
flat angles C4'-P-C4' energy: -106.629
flat angles P-C4'-P energy: -81.106
tors. eta vs tors. theta energy: -149.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1804.117907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.117907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.117907 (E_RNA)
where:
Base-Base interactions energy: -1282.777
where: short stacking energy: -534.066
Base-Backbone interact. energy: -2.557
local terms energy: -518.784231
where:
bonds (distance) C4'-P energy: -90.619
bonds (distance) P-C4' energy: -96.880
flat angles C4'-P-C4' energy: -111.579
flat angles P-C4'-P energy: -77.712
tors. eta vs tors. theta energy: -141.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1741.522900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.522900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.522900 (E_RNA)
where:
Base-Base interactions energy: -1217.842
where: short stacking energy: -501.350
Base-Backbone interact. energy: -1.565
local terms energy: -522.115860
where:
bonds (distance) C4'-P energy: -94.059
bonds (distance) P-C4' energy: -79.313
flat angles C4'-P-C4' energy: -119.228
flat angles P-C4'-P energy: -74.068
tors. eta vs tors. theta energy: -155.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1719.422529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.422529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.422529 (E_RNA)
where:
Base-Base interactions energy: -1219.845
where: short stacking energy: -503.423
Base-Backbone interact. energy: -0.943
local terms energy: -498.634360
where:
bonds (distance) C4'-P energy: -79.780
bonds (distance) P-C4' energy: -88.074
flat angles C4'-P-C4' energy: -106.394
flat angles P-C4'-P energy: -79.277
tors. eta vs tors. theta energy: -145.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1631.806973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.806973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.806973 (E_RNA)
where:
Base-Base interactions energy: -1142.287
where: short stacking energy: -486.551
Base-Backbone interact. energy: 0.622
local terms energy: -490.142371
where:
bonds (distance) C4'-P energy: -77.962
bonds (distance) P-C4' energy: -86.123
flat angles C4'-P-C4' energy: -113.898
flat angles P-C4'-P energy: -71.632
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: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1584.794561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.794561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.794561 (E_RNA)
where:
Base-Base interactions energy: -1111.517
where: short stacking energy: -476.132
Base-Backbone interact. energy: -0.171
local terms energy: -473.107112
where:
bonds (distance) C4'-P energy: -82.845
bonds (distance) P-C4' energy: -92.640
flat angles C4'-P-C4' energy: -89.495
flat angles P-C4'-P energy: -74.823
tors. eta vs tors. theta energy: -133.304
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: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1433.720482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.720482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.720482 (E_RNA)
where:
Base-Base interactions energy: -986.329
where: short stacking energy: -389.371
Base-Backbone interact. energy: -0.625
local terms energy: -446.766490
where:
bonds (distance) C4'-P energy: -74.058
bonds (distance) P-C4' energy: -99.624
flat angles C4'-P-C4' energy: -104.261
flat angles P-C4'-P energy: -68.364
tors. eta vs tors. theta energy: -100.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1346.463552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.463552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.463552 (E_RNA)
where:
Base-Base interactions energy: -912.968
where: short stacking energy: -366.048
Base-Backbone interact. energy: -2.695
local terms energy: -430.800078
where:
bonds (distance) C4'-P energy: -82.385
bonds (distance) P-C4' energy: -78.727
flat angles C4'-P-C4' energy: -98.972
flat angles P-C4'-P energy: -65.416
tors. eta vs tors. theta energy: -105.300
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: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1166.664804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.664804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.664804 (E_RNA)
where:
Base-Base interactions energy: -807.556
where: short stacking energy: -348.861
Base-Backbone interact. energy: -0.366
local terms energy: -358.742799
where:
bonds (distance) C4'-P energy: -80.480
bonds (distance) P-C4' energy: -74.636
flat angles C4'-P-C4' energy: -80.271
flat angles P-C4'-P energy: -48.903
tors. eta vs tors. theta energy: -74.453
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: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -935.326836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.326836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.326836 (E_RNA)
where:
Base-Base interactions energy: -596.752
where: short stacking energy: -274.037
Base-Backbone interact. energy: 2.036
local terms energy: -340.610485
where:
bonds (distance) C4'-P energy: -71.800
bonds (distance) P-C4' energy: -88.531
flat angles C4'-P-C4' energy: -80.427
flat angles P-C4'-P energy: -52.671
tors. eta vs tors. theta energy: -47.182
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: 6
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1860.530444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.530444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.530444 (E_RNA)
where:
Base-Base interactions energy: -1319.480
where: short stacking energy: -545.377
Base-Backbone interact. energy: -2.247
local terms energy: -538.803500
where:
bonds (distance) C4'-P energy: -92.204
bonds (distance) P-C4' energy: -100.251
flat angles C4'-P-C4' energy: -112.806
flat angles P-C4'-P energy: -79.235
tors. eta vs tors. theta energy: -154.309
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: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1785.370493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.370493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.370493 (E_RNA)
where:
Base-Base interactions energy: -1236.080
where: short stacking energy: -513.471
Base-Backbone interact. energy: -2.636
local terms energy: -546.654047
where:
bonds (distance) C4'-P energy: -110.091
bonds (distance) P-C4' energy: -97.717
flat angles C4'-P-C4' energy: -108.161
flat angles P-C4'-P energy: -78.902
tors. eta vs tors. theta energy: -151.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1749.363906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.363906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.363906 (E_RNA)
where:
Base-Base interactions energy: -1240.644
where: short stacking energy: -507.179
Base-Backbone interact. energy: -1.662
local terms energy: -507.057904
where:
bonds (distance) C4'-P energy: -97.492
bonds (distance) P-C4' energy: -90.170
flat angles C4'-P-C4' energy: -100.341
flat angles P-C4'-P energy: -77.161
tors. eta vs tors. theta energy: -141.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1711.157839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.157839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.157839 (E_RNA)
where:
Base-Base interactions energy: -1206.962
where: short stacking energy: -492.989
Base-Backbone interact. energy: -0.719
local terms energy: -503.477026
where:
bonds (distance) C4'-P energy: -91.074
bonds (distance) P-C4' energy: -99.069
flat angles C4'-P-C4' energy: -100.344
flat angles P-C4'-P energy: -68.904
tors. eta vs tors. theta energy: -144.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1646.619429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.619429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.619429 (E_RNA)
where:
Base-Base interactions energy: -1168.748
where: short stacking energy: -498.181
Base-Backbone interact. energy: -0.457
local terms energy: -477.414646
where:
bonds (distance) C4'-P energy: -72.005
bonds (distance) P-C4' energy: -90.064
flat angles C4'-P-C4' energy: -107.834
flat angles P-C4'-P energy: -59.545
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: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1559.415679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.415679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.415679 (E_RNA)
where:
Base-Base interactions energy: -1093.572
where: short stacking energy: -434.581
Base-Backbone interact. energy: 1.013
local terms energy: -466.855749
where:
bonds (distance) C4'-P energy: -91.218
bonds (distance) P-C4' energy: -98.367
flat angles C4'-P-C4' energy: -95.059
flat angles P-C4'-P energy: -60.434
tors. eta vs tors. theta energy: -121.778
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: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1456.822787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.822787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.822787 (E_RNA)
where:
Base-Base interactions energy: -1015.421
where: short stacking energy: -417.656
Base-Backbone interact. energy: -1.355
local terms energy: -440.046606
where:
bonds (distance) C4'-P energy: -78.714
bonds (distance) P-C4' energy: -89.204
flat angles C4'-P-C4' energy: -91.566
flat angles P-C4'-P energy: -60.508
tors. eta vs tors. theta energy: -120.054
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: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1297.156863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.156863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.156863 (E_RNA)
where:
Base-Base interactions energy: -874.390
where: short stacking energy: -368.004
Base-Backbone interact. energy: -1.832
local terms energy: -420.934872
where:
bonds (distance) C4'-P energy: -91.634
bonds (distance) P-C4' energy: -75.772
flat angles C4'-P-C4' energy: -93.404
flat angles P-C4'-P energy: -55.034
tors. eta vs tors. theta energy: -105.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1178.262743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.262743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.262743 (E_RNA)
where:
Base-Base interactions energy: -797.952
where: short stacking energy: -321.952
Base-Backbone interact. energy: -2.024
local terms energy: -378.286623
where:
bonds (distance) C4'-P energy: -72.403
bonds (distance) P-C4' energy: -77.619
flat angles C4'-P-C4' energy: -76.967
flat angles P-C4'-P energy: -61.082
tors. eta vs tors. theta energy: -90.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -933.151165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.151165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.151165 (E_RNA)
where:
Base-Base interactions energy: -645.968
where: short stacking energy: -257.751
Base-Backbone interact. energy: -1.962
local terms energy: -285.221875
where:
bonds (distance) C4'-P energy: -59.265
bonds (distance) P-C4' energy: -62.182
flat angles C4'-P-C4' energy: -70.410
flat angles P-C4'-P energy: -49.495
tors. eta vs tors. theta energy: -43.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1835.836514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.836514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.836514 (E_RNA)
where:
Base-Base interactions energy: -1292.421
where: short stacking energy: -536.661
Base-Backbone interact. energy: -1.736
local terms energy: -541.678616
where:
bonds (distance) C4'-P energy: -93.975
bonds (distance) P-C4' energy: -88.477
flat angles C4'-P-C4' energy: -118.379
flat angles P-C4'-P energy: -89.100
tors. eta vs tors. theta energy: -151.746
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: 6
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1823.512566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.512566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.512566 (E_RNA)
where:
Base-Base interactions energy: -1299.884
where: short stacking energy: -527.691
Base-Backbone interact. energy: -0.494
local terms energy: -523.134752
where:
bonds (distance) C4'-P energy: -88.178
bonds (distance) P-C4' energy: -103.706
flat angles C4'-P-C4' energy: -98.740
flat angles P-C4'-P energy: -84.218
tors. eta vs tors. theta energy: -148.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1741.608066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.608066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.608066 (E_RNA)
where:
Base-Base interactions energy: -1230.293
where: short stacking energy: -502.541
Base-Backbone interact. energy: -0.411
local terms energy: -510.904413
where:
bonds (distance) C4'-P energy: -98.036
bonds (distance) P-C4' energy: -90.992
flat angles C4'-P-C4' energy: -98.691
flat angles P-C4'-P energy: -84.688
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: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1730.577110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.577110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.577110 (E_RNA)
where:
Base-Base interactions energy: -1211.911
where: short stacking energy: -511.315
Base-Backbone interact. energy: -1.107
local terms energy: -517.559258
where:
bonds (distance) C4'-P energy: -81.321
bonds (distance) P-C4' energy: -101.133
flat angles C4'-P-C4' energy: -110.811
flat angles P-C4'-P energy: -72.967
tors. eta vs tors. theta energy: -151.328
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: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1609.543402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.543402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.543402 (E_RNA)
where:
Base-Base interactions energy: -1146.464
where: short stacking energy: -489.217
Base-Backbone interact. energy: 1.331
local terms energy: -464.410876
where:
bonds (distance) C4'-P energy: -77.100
bonds (distance) P-C4' energy: -91.866
flat angles C4'-P-C4' energy: -99.795
flat angles P-C4'-P energy: -53.897
tors. eta vs tors. theta energy: -141.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1567.803076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.803076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.803076 (E_RNA)
where:
Base-Base interactions energy: -1089.445
where: short stacking energy: -456.171
Base-Backbone interact. energy: -1.176
local terms energy: -477.181557
where:
bonds (distance) C4'-P energy: -99.262
bonds (distance) P-C4' energy: -101.019
flat angles C4'-P-C4' energy: -95.829
flat angles P-C4'-P energy: -51.078
tors. eta vs tors. theta energy: -129.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1428.171012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.171012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.171012 (E_RNA)
where:
Base-Base interactions energy: -1022.561
where: short stacking energy: -434.056
Base-Backbone interact. energy: -0.091
local terms energy: -405.519272
where:
bonds (distance) C4'-P energy: -60.081
bonds (distance) P-C4' energy: -71.918
flat angles C4'-P-C4' energy: -86.038
flat angles P-C4'-P energy: -60.634
tors. eta vs tors. theta energy: -126.849
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: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1235.661635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.661635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.661635 (E_RNA)
where:
Base-Base interactions energy: -837.880
where: short stacking energy: -384.072
Base-Backbone interact. energy: -1.035
local terms energy: -396.746977
where:
bonds (distance) C4'-P energy: -75.448
bonds (distance) P-C4' energy: -80.367
flat angles C4'-P-C4' energy: -89.787
flat angles P-C4'-P energy: -56.772
tors. eta vs tors. theta energy: -94.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1135.981686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.981686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.981686 (E_RNA)
where:
Base-Base interactions energy: -777.504
where: short stacking energy: -325.652
Base-Backbone interact. energy: -0.822
local terms energy: -357.655868
where:
bonds (distance) C4'-P energy: -74.552
bonds (distance) P-C4' energy: -71.680
flat angles C4'-P-C4' energy: -80.731
flat angles P-C4'-P energy: -53.597
tors. eta vs tors. theta energy: -77.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -943.235792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.235792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.235792 (E_RNA)
where:
Base-Base interactions energy: -610.313
where: short stacking energy: -274.637
Base-Backbone interact. energy: 5.565
local terms energy: -338.487759
where:
bonds (distance) C4'-P energy: -75.083
bonds (distance) P-C4' energy: -82.787
flat angles C4'-P-C4' energy: -61.411
flat angles P-C4'-P energy: -52.698
tors. eta vs tors. theta energy: -66.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1830.466121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.466121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.466121 (E_RNA)
where:
Base-Base interactions energy: -1283.820
where: short stacking energy: -545.829
Base-Backbone interact. energy: -1.477
local terms energy: -545.168416
where:
bonds (distance) C4'-P energy: -94.432
bonds (distance) P-C4' energy: -94.863
flat angles C4'-P-C4' energy: -107.337
flat angles P-C4'-P energy: -88.165
tors. eta vs tors. theta energy: -160.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1822.132003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.132003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.132003 (E_RNA)
where:
Base-Base interactions energy: -1275.759
where: short stacking energy: -531.759
Base-Backbone interact. energy: -5.260
local terms energy: -541.112708
where:
bonds (distance) C4'-P energy: -92.574
bonds (distance) P-C4' energy: -91.394
flat angles C4'-P-C4' energy: -111.275
flat angles P-C4'-P energy: -87.325
tors. eta vs tors. theta energy: -158.544
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: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1730.685615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.685615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.685615 (E_RNA)
where:
Base-Base interactions energy: -1225.546
where: short stacking energy: -509.616
Base-Backbone interact. energy: -1.631
local terms energy: -503.508472
where:
bonds (distance) C4'-P energy: -86.470
bonds (distance) P-C4' energy: -88.136
flat angles C4'-P-C4' energy: -109.807
flat angles P-C4'-P energy: -77.123
tors. eta vs tors. theta energy: -141.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1710.093409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.093409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.093409 (E_RNA)
where:
Base-Base interactions energy: -1203.499
where: short stacking energy: -492.845
Base-Backbone interact. energy: -0.452
local terms energy: -506.142006
where:
bonds (distance) C4'-P energy: -85.981
bonds (distance) P-C4' energy: -98.016
flat angles C4'-P-C4' energy: -100.538
flat angles P-C4'-P energy: -75.352
tors. eta vs tors. theta energy: -146.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1626.982650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.982650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.982650 (E_RNA)
where:
Base-Base interactions energy: -1154.719
where: short stacking energy: -474.715
Base-Backbone interact. energy: -2.126
local terms energy: -470.137601
where:
bonds (distance) C4'-P energy: -77.830
bonds (distance) P-C4' energy: -94.481
flat angles C4'-P-C4' energy: -96.755
flat angles P-C4'-P energy: -68.368
tors. eta vs tors. theta energy: -132.703
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: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1492.110765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.110765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.110765 (E_RNA)
where:
Base-Base interactions energy: -1063.025
where: short stacking energy: -431.342
Base-Backbone interact. energy: -0.446
local terms energy: -428.639617
where:
bonds (distance) C4'-P energy: -88.274
bonds (distance) P-C4' energy: -70.716
flat angles C4'-P-C4' energy: -82.994
flat angles P-C4'-P energy: -63.374
tors. eta vs tors. theta energy: -123.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1529.724530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.724530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.724530 (E_RNA)
where:
Base-Base interactions energy: -1066.896
where: short stacking energy: -443.451
Base-Backbone interact. energy: -2.024
local terms energy: -460.804559
where:
bonds (distance) C4'-P energy: -97.969
bonds (distance) P-C4' energy: -79.486
flat angles C4'-P-C4' energy: -95.734
flat angles P-C4'-P energy: -66.750
tors. eta vs tors. theta energy: -120.865
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: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1288.405007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.405007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.405007 (E_RNA)
where:
Base-Base interactions energy: -892.696
where: short stacking energy: -387.773
Base-Backbone interact. energy: -0.874
local terms energy: -394.834967
where:
bonds (distance) C4'-P energy: -56.770
bonds (distance) P-C4' energy: -83.148
flat angles C4'-P-C4' energy: -86.931
flat angles P-C4'-P energy: -63.290
tors. eta vs tors. theta energy: -104.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1163.383384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.383384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.383384 (E_RNA)
where:
Base-Base interactions energy: -840.450
where: short stacking energy: -346.621
Base-Backbone interact. energy: 0.556
local terms energy: -323.489689
where:
bonds (distance) C4'-P energy: -59.530
bonds (distance) P-C4' energy: -75.267
flat angles C4'-P-C4' energy: -73.835
flat angles P-C4'-P energy: -35.069
tors. eta vs tors. theta energy: -79.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -881.138410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.138410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.138410 (E_RNA)
where:
Base-Base interactions energy: -560.109
where: short stacking energy: -246.958
Base-Backbone interact. energy: 0.044
local terms energy: -321.073407
where:
bonds (distance) C4'-P energy: -69.967
bonds (distance) P-C4' energy: -88.073
flat angles C4'-P-C4' energy: -82.631
flat angles P-C4'-P energy: -34.159
tors. eta vs tors. theta energy: -46.244
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: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1862.534247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.534247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.534247 (E_RNA)
where:
Base-Base interactions energy: -1309.894
where: short stacking energy: -543.086
Base-Backbone interact. energy: -4.819
local terms energy: -547.821671
where:
bonds (distance) C4'-P energy: -98.498
bonds (distance) P-C4' energy: -99.877
flat angles C4'-P-C4' energy: -109.952
flat angles P-C4'-P energy: -79.410
tors. eta vs tors. theta energy: -160.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1789.671022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.671022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.671022 (E_RNA)
where:
Base-Base interactions energy: -1261.611
where: short stacking energy: -525.399
Base-Backbone interact. energy: -3.118
local terms energy: -524.942194
where:
bonds (distance) C4'-P energy: -99.471
bonds (distance) P-C4' energy: -95.194
flat angles C4'-P-C4' energy: -104.765
flat angles P-C4'-P energy: -72.724
tors. eta vs tors. theta energy: -152.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1731.848208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.848208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.848208 (E_RNA)
where:
Base-Base interactions energy: -1228.789
where: short stacking energy: -514.807
Base-Backbone interact. energy: -0.988
local terms energy: -502.071765
where:
bonds (distance) C4'-P energy: -96.869
bonds (distance) P-C4' energy: -86.040
flat angles C4'-P-C4' energy: -107.537
flat angles P-C4'-P energy: -73.803
tors. eta vs tors. theta energy: -137.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1714.862780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.862780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.862780 (E_RNA)
where:
Base-Base interactions energy: -1203.132
where: short stacking energy: -497.200
Base-Backbone interact. energy: -0.843
local terms energy: -510.888063
where:
bonds (distance) C4'-P energy: -88.003
bonds (distance) P-C4' energy: -102.441
flat angles C4'-P-C4' energy: -105.831
flat angles P-C4'-P energy: -70.019
tors. eta vs tors. theta energy: -144.593
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: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1600.727774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.727774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.727774 (E_RNA)
where:
Base-Base interactions energy: -1120.963
where: short stacking energy: -482.878
Base-Backbone interact. energy: -0.675
local terms energy: -479.089869
where:
bonds (distance) C4'-P energy: -81.864
bonds (distance) P-C4' energy: -97.945
flat angles C4'-P-C4' energy: -98.174
flat angles P-C4'-P energy: -67.270
tors. eta vs tors. theta energy: -133.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1531.906971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.906971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.906971 (E_RNA)
where:
Base-Base interactions energy: -1054.616
where: short stacking energy: -423.315
Base-Backbone interact. energy: -1.344
local terms energy: -475.946787
where:
bonds (distance) C4'-P energy: -98.873
bonds (distance) P-C4' energy: -76.810
flat angles C4'-P-C4' energy: -99.585
flat angles P-C4'-P energy: -70.776
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: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1539.960155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.960155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.960155 (E_RNA)
where:
Base-Base interactions energy: -1083.803
where: short stacking energy: -440.275
Base-Backbone interact. energy: -0.816
local terms energy: -455.340964
where:
bonds (distance) C4'-P energy: -88.376
bonds (distance) P-C4' energy: -67.170
flat angles C4'-P-C4' energy: -95.104
flat angles P-C4'-P energy: -68.916
tors. eta vs tors. theta energy: -135.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1311.263867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.263867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.263867 (E_RNA)
where:
Base-Base interactions energy: -899.359
where: short stacking energy: -386.631
Base-Backbone interact. energy: 3.284
local terms energy: -415.188563
where:
bonds (distance) C4'-P energy: -81.478
bonds (distance) P-C4' energy: -83.263
flat angles C4'-P-C4' energy: -90.747
flat angles P-C4'-P energy: -65.577
tors. eta vs tors. theta energy: -94.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1160.571315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.571315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.571315 (E_RNA)
where:
Base-Base interactions energy: -817.790
where: short stacking energy: -342.424
Base-Backbone interact. energy: -0.355
local terms energy: -342.426951
where:
bonds (distance) C4'-P energy: -57.304
bonds (distance) P-C4' energy: -73.905
flat angles C4'-P-C4' energy: -81.333
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: -86.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -868.848646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.848646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.848646 (E_RNA)
where:
Base-Base interactions energy: -544.045
where: short stacking energy: -226.905
Base-Backbone interact. energy: -0.372
local terms energy: -324.431130
where:
bonds (distance) C4'-P energy: -77.688
bonds (distance) P-C4' energy: -82.431
flat angles C4'-P-C4' energy: -74.173
flat angles P-C4'-P energy: -50.400
tors. eta vs tors. theta energy: -39.739
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: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1826.290038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.290038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.290038 (E_RNA)
where:
Base-Base interactions energy: -1277.873
where: short stacking energy: -540.376
Base-Backbone interact. energy: 1.221
local terms energy: -549.637768
where:
bonds (distance) C4'-P energy: -96.402
bonds (distance) P-C4' energy: -91.875
flat angles C4'-P-C4' energy: -115.162
flat angles P-C4'-P energy: -86.628
tors. eta vs tors. theta energy: -159.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1785.449028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.449028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.449028 (E_RNA)
where:
Base-Base interactions energy: -1262.897
where: short stacking energy: -514.145
Base-Backbone interact. energy: -0.327
local terms energy: -522.224563
where:
bonds (distance) C4'-P energy: -86.621
bonds (distance) P-C4' energy: -88.912
flat angles C4'-P-C4' energy: -111.997
flat angles P-C4'-P energy: -84.515
tors. eta vs tors. theta energy: -150.180
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: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1748.474018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.474018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.474018 (E_RNA)
where:
Base-Base interactions energy: -1225.829
where: short stacking energy: -512.368
Base-Backbone interact. energy: -1.011
local terms energy: -521.633656
where:
bonds (distance) C4'-P energy: -92.311
bonds (distance) P-C4' energy: -90.534
flat angles C4'-P-C4' energy: -110.930
flat angles P-C4'-P energy: -76.998
tors. eta vs tors. theta energy: -150.861
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: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1720.404529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.404529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.404529 (E_RNA)
where:
Base-Base interactions energy: -1226.234
where: short stacking energy: -502.095
Base-Backbone interact. energy: -0.902
local terms energy: -493.269001
where:
bonds (distance) C4'-P energy: -70.797
bonds (distance) P-C4' energy: -93.129
flat angles C4'-P-C4' energy: -101.888
flat angles P-C4'-P energy: -85.968
tors. eta vs tors. theta energy: -141.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1581.886974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.886974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.886974 (E_RNA)
where:
Base-Base interactions energy: -1108.421
where: short stacking energy: -455.910
Base-Backbone interact. energy: -1.935
local terms energy: -471.531349
where:
bonds (distance) C4'-P energy: -89.898
bonds (distance) P-C4' energy: -78.781
flat angles C4'-P-C4' energy: -110.565
flat angles P-C4'-P energy: -60.342
tors. eta vs tors. theta energy: -131.945
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: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1548.414346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.414346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.414346 (E_RNA)
where:
Base-Base interactions energy: -1100.007
where: short stacking energy: -453.288
Base-Backbone interact. energy: -1.756
local terms energy: -446.651084
where:
bonds (distance) C4'-P energy: -82.958
bonds (distance) P-C4' energy: -77.571
flat angles C4'-P-C4' energy: -90.710
flat angles P-C4'-P energy: -71.586
tors. eta vs tors. theta energy: -123.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1431.911049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.911049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.911049 (E_RNA)
where:
Base-Base interactions energy: -1000.004
where: short stacking energy: -409.817
Base-Backbone interact. energy: 0.953
local terms energy: -432.859885
where:
bonds (distance) C4'-P energy: -69.170
bonds (distance) P-C4' energy: -72.554
flat angles C4'-P-C4' energy: -98.904
flat angles P-C4'-P energy: -76.967
tors. eta vs tors. theta energy: -115.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1316.979875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.979875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.979875 (E_RNA)
where:
Base-Base interactions energy: -902.912
where: short stacking energy: -381.176
Base-Backbone interact. energy: -2.157
local terms energy: -411.910644
where:
bonds (distance) C4'-P energy: -81.156
bonds (distance) P-C4' energy: -70.065
flat angles C4'-P-C4' energy: -90.340
flat angles P-C4'-P energy: -56.204
tors. eta vs tors. theta energy: -114.146
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: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1138.304137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.304137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.304137 (E_RNA)
where:
Base-Base interactions energy: -769.943
where: short stacking energy: -322.200
Base-Backbone interact. energy: -0.820
local terms energy: -367.541462
where:
bonds (distance) C4'-P energy: -70.901
bonds (distance) P-C4' energy: -85.985
flat angles C4'-P-C4' energy: -80.917
flat angles P-C4'-P energy: -53.857
tors. eta vs tors. theta energy: -75.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -838.701111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.701111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.701111 (E_RNA)
where:
Base-Base interactions energy: -547.784
where: short stacking energy: -247.494
Base-Backbone interact. energy: -1.244
local terms energy: -289.672323
where:
bonds (distance) C4'-P energy: -63.442
bonds (distance) P-C4' energy: -87.853
flat angles C4'-P-C4' energy: -57.375
flat angles P-C4'-P energy: -45.473
tors. eta vs tors. theta energy: -35.529
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: 1, replica: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1825.097184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.097184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.097184 (E_RNA)
where:
Base-Base interactions energy: -1303.387
where: short stacking energy: -546.985
Base-Backbone interact. energy: -0.229
local terms energy: -521.481409
where:
bonds (distance) C4'-P energy: -79.769
bonds (distance) P-C4' energy: -97.640
flat angles C4'-P-C4' energy: -103.986
flat angles P-C4'-P energy: -80.690
tors. eta vs tors. theta energy: -159.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1800.177315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.177315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.177315 (E_RNA)
where:
Base-Base interactions energy: -1259.388
where: short stacking energy: -527.609
Base-Backbone interact. energy: -2.273
local terms energy: -538.517034
where:
bonds (distance) C4'-P energy: -102.639
bonds (distance) P-C4' energy: -97.327
flat angles C4'-P-C4' energy: -105.335
flat angles P-C4'-P energy: -80.875
tors. eta vs tors. theta energy: -152.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1760.186844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.186844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.186844 (E_RNA)
where:
Base-Base interactions energy: -1235.248
where: short stacking energy: -506.947
Base-Backbone interact. energy: -1.447
local terms energy: -523.491685
where:
bonds (distance) C4'-P energy: -92.418
bonds (distance) P-C4' energy: -91.092
flat angles C4'-P-C4' energy: -112.436
flat angles P-C4'-P energy: -75.695
tors. eta vs tors. theta energy: -151.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1730.451193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.451193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.451193 (E_RNA)
where:
Base-Base interactions energy: -1243.350
where: short stacking energy: -507.749
Base-Backbone interact. energy: -1.015
local terms energy: -486.086503
where:
bonds (distance) C4'-P energy: -63.101
bonds (distance) P-C4' energy: -92.162
flat angles C4'-P-C4' energy: -109.043
flat angles P-C4'-P energy: -66.956
tors. eta vs tors. theta energy: -154.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1594.540063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.540063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.540063 (E_RNA)
where:
Base-Base interactions energy: -1120.300
where: short stacking energy: -470.386
Base-Backbone interact. energy: -0.459
local terms energy: -473.781311
where:
bonds (distance) C4'-P energy: -88.578
bonds (distance) P-C4' energy: -95.930
flat angles C4'-P-C4' energy: -92.782
flat angles P-C4'-P energy: -64.949
tors. eta vs tors. theta energy: -131.543
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: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1537.229531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.229531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.229531 (E_RNA)
where:
Base-Base interactions energy: -1095.848
where: short stacking energy: -448.641
Base-Backbone interact. energy: 0.361
local terms energy: -441.742917
where:
bonds (distance) C4'-P energy: -73.132
bonds (distance) P-C4' energy: -84.291
flat angles C4'-P-C4' energy: -93.366
flat angles P-C4'-P energy: -62.106
tors. eta vs tors. theta energy: -128.848
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: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1429.791397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.791397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.791397 (E_RNA)
where:
Base-Base interactions energy: -993.077
where: short stacking energy: -417.173
Base-Backbone interact. energy: -0.832
local terms energy: -435.881938
where:
bonds (distance) C4'-P energy: -87.429
bonds (distance) P-C4' energy: -87.985
flat angles C4'-P-C4' energy: -94.762
flat angles P-C4'-P energy: -56.318
tors. eta vs tors. theta energy: -109.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1307.605897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.605897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.605897 (E_RNA)
where:
Base-Base interactions energy: -905.898
where: short stacking energy: -372.093
Base-Backbone interact. energy: 1.457
local terms energy: -403.164139
where:
bonds (distance) C4'-P energy: -61.443
bonds (distance) P-C4' energy: -81.142
flat angles C4'-P-C4' energy: -101.773
flat angles P-C4'-P energy: -56.970
tors. eta vs tors. theta energy: -101.836
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: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1066.849333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.849333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.849333 (E_RNA)
where:
Base-Base interactions energy: -719.588
where: short stacking energy: -313.184
Base-Backbone interact. energy: -0.301
local terms energy: -346.959524
where:
bonds (distance) C4'-P energy: -67.381
bonds (distance) P-C4' energy: -87.620
flat angles C4'-P-C4' energy: -75.677
flat angles P-C4'-P energy: -49.716
tors. eta vs tors. theta energy: -66.566
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: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -878.553567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.553567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.553567 (E_RNA)
where:
Base-Base interactions energy: -550.599
where: short stacking energy: -251.926
Base-Backbone interact. energy: -3.196
local terms energy: -324.758514
where:
bonds (distance) C4'-P energy: -67.054
bonds (distance) P-C4' energy: -89.470
flat angles C4'-P-C4' energy: -77.833
flat angles P-C4'-P energy: -44.938
tors. eta vs tors. theta energy: -45.463
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: 1, replica: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1852.392360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.392360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.392360 (E_RNA)
where:
Base-Base interactions energy: -1315.816
where: short stacking energy: -531.692
Base-Backbone interact. energy: -2.118
local terms energy: -534.458692
where:
bonds (distance) C4'-P energy: -86.473
bonds (distance) P-C4' energy: -102.765
flat angles C4'-P-C4' energy: -108.109
flat angles P-C4'-P energy: -77.281
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: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1815.355484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.355484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.355484 (E_RNA)
where:
Base-Base interactions energy: -1267.501
where: short stacking energy: -541.494
Base-Backbone interact. energy: -2.755
local terms energy: -545.099502
where:
bonds (distance) C4'-P energy: -87.056
bonds (distance) P-C4' energy: -100.368
flat angles C4'-P-C4' energy: -116.979
flat angles P-C4'-P energy: -84.648
tors. eta vs tors. theta energy: -156.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1768.790585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.790585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.790585 (E_RNA)
where:
Base-Base interactions energy: -1249.028
where: short stacking energy: -522.063
Base-Backbone interact. energy: -0.359
local terms energy: -519.403319
where:
bonds (distance) C4'-P energy: -83.877
bonds (distance) P-C4' energy: -102.713
flat angles C4'-P-C4' energy: -108.545
flat angles P-C4'-P energy: -73.475
tors. eta vs tors. theta energy: -150.794
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: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1763.813070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.813070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.813070 (E_RNA)
where:
Base-Base interactions energy: -1253.144
where: short stacking energy: -493.741
Base-Backbone interact. energy: -0.983
local terms energy: -509.686548
where:
bonds (distance) C4'-P energy: -87.275
bonds (distance) P-C4' energy: -85.147
flat angles C4'-P-C4' energy: -115.694
flat angles P-C4'-P energy: -80.342
tors. eta vs tors. theta energy: -141.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1589.952440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.952440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.952440 (E_RNA)
where:
Base-Base interactions energy: -1125.363
where: short stacking energy: -467.082
Base-Backbone interact. energy: 0.842
local terms energy: -465.430942
where:
bonds (distance) C4'-P energy: -89.627
bonds (distance) P-C4' energy: -90.733
flat angles C4'-P-C4' energy: -95.598
flat angles P-C4'-P energy: -55.864
tors. eta vs tors. theta energy: -133.609
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: 5
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1547.838445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.838445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.838445 (E_RNA)
where:
Base-Base interactions energy: -1081.395
where: short stacking energy: -439.729
Base-Backbone interact. energy: -2.255
local terms energy: -464.188504
where:
bonds (distance) C4'-P energy: -94.595
bonds (distance) P-C4' energy: -89.625
flat angles C4'-P-C4' energy: -96.847
flat angles P-C4'-P energy: -64.652
tors. eta vs tors. theta energy: -118.470
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: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1432.625543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.625543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.625543 (E_RNA)
where:
Base-Base interactions energy: -1003.614
where: short stacking energy: -439.879
Base-Backbone interact. energy: -2.099
local terms energy: -426.913109
where:
bonds (distance) C4'-P energy: -69.321
bonds (distance) P-C4' energy: -87.003
flat angles C4'-P-C4' energy: -89.251
flat angles P-C4'-P energy: -59.438
tors. eta vs tors. theta energy: -121.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1255.982826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.982826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.982826 (E_RNA)
where:
Base-Base interactions energy: -888.660
where: short stacking energy: -350.620
Base-Backbone interact. energy: -3.026
local terms energy: -364.296188
where:
bonds (distance) C4'-P energy: -61.007
bonds (distance) P-C4' energy: -79.910
flat angles C4'-P-C4' energy: -83.451
flat angles P-C4'-P energy: -46.299
tors. eta vs tors. theta energy: -93.628
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: 3
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1056.533597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.533597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.533597 (E_RNA)
where:
Base-Base interactions energy: -700.628
where: short stacking energy: -278.393
Base-Backbone interact. energy: -2.399
local terms energy: -353.506257
where:
bonds (distance) C4'-P energy: -73.636
bonds (distance) P-C4' energy: -89.877
flat angles C4'-P-C4' energy: -81.168
flat angles P-C4'-P energy: -47.450
tors. eta vs tors. theta energy: -61.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -845.653863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.653863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.653863 (E_RNA)
where:
Base-Base interactions energy: -545.797
where: short stacking energy: -238.993
Base-Backbone interact. energy: 0.403
local terms energy: -300.259891
where:
bonds (distance) C4'-P energy: -68.644
bonds (distance) P-C4' energy: -83.229
flat angles C4'-P-C4' energy: -63.162
flat angles P-C4'-P energy: -55.660
tors. eta vs tors. theta energy: -29.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1849.547387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.547387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.547387 (E_RNA)
where:
Base-Base interactions energy: -1300.014
where: short stacking energy: -534.433
Base-Backbone interact. energy: -6.106
local terms energy: -543.428044
where:
bonds (distance) C4'-P energy: -97.210
bonds (distance) P-C4' energy: -98.598
flat angles C4'-P-C4' energy: -114.935
flat angles P-C4'-P energy: -77.675
tors. eta vs tors. theta energy: -155.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1789.336938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.336938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.336938 (E_RNA)
where:
Base-Base interactions energy: -1268.704
where: short stacking energy: -533.441
Base-Backbone interact. energy: -0.482
local terms energy: -520.150657
where:
bonds (distance) C4'-P energy: -95.184
bonds (distance) P-C4' energy: -94.097
flat angles C4'-P-C4' energy: -105.534
flat angles P-C4'-P energy: -76.198
tors. eta vs tors. theta energy: -149.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1780.120692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.120692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.120692 (E_RNA)
where:
Base-Base interactions energy: -1270.115
where: short stacking energy: -524.163
Base-Backbone interact. energy: -1.542
local terms energy: -508.464274
where:
bonds (distance) C4'-P energy: -89.477
bonds (distance) P-C4' energy: -92.312
flat angles C4'-P-C4' energy: -107.859
flat angles P-C4'-P energy: -71.380
tors. eta vs tors. theta energy: -147.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1704.699360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.699360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.699360 (E_RNA)
where:
Base-Base interactions energy: -1211.253
where: short stacking energy: -486.406
Base-Backbone interact. energy: -2.637
local terms energy: -490.809964
where:
bonds (distance) C4'-P energy: -82.844
bonds (distance) P-C4' energy: -87.335
flat angles C4'-P-C4' energy: -108.849
flat angles P-C4'-P energy: -67.343
tors. eta vs tors. theta energy: -144.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1620.450518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.450518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.450518 (E_RNA)
where:
Base-Base interactions energy: -1104.189
where: short stacking energy: -473.899
Base-Backbone interact. energy: -2.393
local terms energy: -513.868599
where:
bonds (distance) C4'-P energy: -88.355
bonds (distance) P-C4' energy: -104.757
flat angles C4'-P-C4' energy: -114.301
flat angles P-C4'-P energy: -66.485
tors. eta vs tors. theta energy: -139.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1553.295983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.295983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.295983 (E_RNA)
where:
Base-Base interactions energy: -1113.083
where: short stacking energy: -456.191
Base-Backbone interact. energy: -0.809
local terms energy: -439.404118
where:
bonds (distance) C4'-P energy: -81.025
bonds (distance) P-C4' energy: -77.305
flat angles C4'-P-C4' energy: -92.646
flat angles P-C4'-P energy: -60.830
tors. eta vs tors. theta energy: -127.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1440.584355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.584355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.584355 (E_RNA)
where:
Base-Base interactions energy: -1006.847
where: short stacking energy: -412.381
Base-Backbone interact. energy: -0.646
local terms energy: -433.091279
where:
bonds (distance) C4'-P energy: -92.004
bonds (distance) P-C4' energy: -83.649
flat angles C4'-P-C4' energy: -85.856
flat angles P-C4'-P energy: -68.140
tors. eta vs tors. theta energy: -103.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1241.730084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.730084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.730084 (E_RNA)
where:
Base-Base interactions energy: -848.814
where: short stacking energy: -356.881
Base-Backbone interact. energy: -3.807
local terms energy: -389.109015
where:
bonds (distance) C4'-P energy: -84.254
bonds (distance) P-C4' energy: -79.986
flat angles C4'-P-C4' energy: -80.932
flat angles P-C4'-P energy: -54.474
tors. eta vs tors. theta energy: -89.463
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: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1084.504160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.504160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.504160 (E_RNA)
where:
Base-Base interactions energy: -728.649
where: short stacking energy: -330.940
Base-Backbone interact. energy: -0.909
local terms energy: -354.946222
where:
bonds (distance) C4'-P energy: -71.297
bonds (distance) P-C4' energy: -73.584
flat angles C4'-P-C4' energy: -82.765
flat angles P-C4'-P energy: -47.805
tors. eta vs tors. theta energy: -79.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -838.459799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.459799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.459799 (E_RNA)
where:
Base-Base interactions energy: -528.982
where: short stacking energy: -225.355
Base-Backbone interact. energy: 0.307
local terms energy: -309.785252
where:
bonds (distance) C4'-P energy: -85.137
bonds (distance) P-C4' energy: -82.344
flat angles C4'-P-C4' energy: -61.447
flat angles P-C4'-P energy: -46.832
tors. eta vs tors. theta energy: -34.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1831.749122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.749122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.749122 (E_RNA)
where:
Base-Base interactions energy: -1289.937
where: short stacking energy: -536.198
Base-Backbone interact. energy: 0.500
local terms energy: -542.312526
where:
bonds (distance) C4'-P energy: -98.758
bonds (distance) P-C4' energy: -97.786
flat angles C4'-P-C4' energy: -109.631
flat angles P-C4'-P energy: -81.684
tors. eta vs tors. theta energy: -154.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1798.226924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.226924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.226924 (E_RNA)
where:
Base-Base interactions energy: -1281.385
where: short stacking energy: -531.838
Base-Backbone interact. energy: -0.702
local terms energy: -516.139849
where:
bonds (distance) C4'-P energy: -86.566
bonds (distance) P-C4' energy: -95.265
flat angles C4'-P-C4' energy: -118.025
flat angles P-C4'-P energy: -67.398
tors. eta vs tors. theta energy: -148.886
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: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1776.471454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.471454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.471454 (E_RNA)
where:
Base-Base interactions energy: -1251.423
where: short stacking energy: -524.091
Base-Backbone interact. energy: -0.993
local terms energy: -524.055191
where:
bonds (distance) C4'-P energy: -98.996
bonds (distance) P-C4' energy: -91.582
flat angles C4'-P-C4' energy: -113.894
flat angles P-C4'-P energy: -76.832
tors. eta vs tors. theta energy: -142.751
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: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1712.094243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.094243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.094243 (E_RNA)
where:
Base-Base interactions energy: -1237.053
where: short stacking energy: -508.127
Base-Backbone interact. energy: -0.608
local terms energy: -474.433389
where:
bonds (distance) C4'-P energy: -81.691
bonds (distance) P-C4' energy: -86.324
flat angles C4'-P-C4' energy: -97.732
flat angles P-C4'-P energy: -61.027
tors. eta vs tors. theta energy: -147.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1598.376765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.376765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.376765 (E_RNA)
where:
Base-Base interactions energy: -1120.980
where: short stacking energy: -482.308
Base-Backbone interact. energy: -0.685
local terms energy: -476.711935
where:
bonds (distance) C4'-P energy: -89.517
bonds (distance) P-C4' energy: -87.951
flat angles C4'-P-C4' energy: -94.085
flat angles P-C4'-P energy: -65.870
tors. eta vs tors. theta energy: -139.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1574.186773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.186773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.186773 (E_RNA)
where:
Base-Base interactions energy: -1107.229
where: short stacking energy: -462.129
Base-Backbone interact. energy: 2.267
local terms energy: -469.224062
where:
bonds (distance) C4'-P energy: -88.322
bonds (distance) P-C4' energy: -84.874
flat angles C4'-P-C4' energy: -98.597
flat angles P-C4'-P energy: -66.864
tors. eta vs tors. theta energy: -130.568
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: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1452.003631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.003631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.003631 (E_RNA)
where:
Base-Base interactions energy: -1020.329
where: short stacking energy: -415.395
Base-Backbone interact. energy: -2.533
local terms energy: -429.141341
where:
bonds (distance) C4'-P energy: -75.533
bonds (distance) P-C4' energy: -82.013
flat angles C4'-P-C4' energy: -102.890
flat angles P-C4'-P energy: -58.105
tors. eta vs tors. theta energy: -110.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1199.555948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.555948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.555948 (E_RNA)
where:
Base-Base interactions energy: -803.282
where: short stacking energy: -341.911
Base-Backbone interact. energy: -1.698
local terms energy: -394.576037
where:
bonds (distance) C4'-P energy: -80.687
bonds (distance) P-C4' energy: -81.693
flat angles C4'-P-C4' energy: -91.865
flat angles P-C4'-P energy: -52.713
tors. eta vs tors. theta energy: -87.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -1070.286834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.286834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.286834 (E_RNA)
where:
Base-Base interactions energy: -720.956
where: short stacking energy: -303.006
Base-Backbone interact. energy: 1.047
local terms energy: -350.377729
where:
bonds (distance) C4'-P energy: -79.875
bonds (distance) P-C4' energy: -72.018
flat angles C4'-P-C4' energy: -82.600
flat angles P-C4'-P energy: -56.093
tors. eta vs tors. theta energy: -59.792
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: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -884.365917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.365917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.365917 (E_RNA)
where:
Base-Base interactions energy: -578.941
where: short stacking energy: -239.903
Base-Backbone interact. energy: -1.008
local terms energy: -304.416995
where:
bonds (distance) C4'-P energy: -81.970
bonds (distance) P-C4' energy: -67.181
flat angles C4'-P-C4' energy: -78.129
flat angles P-C4'-P energy: -43.157
tors. eta vs tors. theta energy: -33.980
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: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1846.416234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.416234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.416234 (E_RNA)
where:
Base-Base interactions energy: -1297.855
where: short stacking energy: -539.332
Base-Backbone interact. energy: -3.132
local terms energy: -545.429154
where:
bonds (distance) C4'-P energy: -91.632
bonds (distance) P-C4' energy: -101.729
flat angles C4'-P-C4' energy: -115.619
flat angles P-C4'-P energy: -83.884
tors. eta vs tors. theta energy: -152.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1807.200959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.200959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.200959 (E_RNA)
where:
Base-Base interactions energy: -1283.631
where: short stacking energy: -527.928
Base-Backbone interact. energy: -1.910
local terms energy: -521.659931
where:
bonds (distance) C4'-P energy: -81.997
bonds (distance) P-C4' energy: -106.115
flat angles C4'-P-C4' energy: -112.497
flat angles P-C4'-P energy: -71.980
tors. eta vs tors. theta energy: -149.072
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: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1771.291511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.291511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.291511 (E_RNA)
where:
Base-Base interactions energy: -1231.999
where: short stacking energy: -515.139
Base-Backbone interact. energy: -1.507
local terms energy: -537.785389
where:
bonds (distance) C4'-P energy: -98.158
bonds (distance) P-C4' energy: -102.718
flat angles C4'-P-C4' energy: -108.674
flat angles P-C4'-P energy: -79.527
tors. eta vs tors. theta energy: -148.709
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: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1698.663921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.663921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.663921 (E_RNA)
where:
Base-Base interactions energy: -1212.284
where: short stacking energy: -516.784
Base-Backbone interact. energy: -2.198
local terms energy: -484.182337
where:
bonds (distance) C4'-P energy: -82.163
bonds (distance) P-C4' energy: -76.974
flat angles C4'-P-C4' energy: -100.520
flat angles P-C4'-P energy: -74.040
tors. eta vs tors. theta energy: -150.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1585.468336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.468336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.468336 (E_RNA)
where:
Base-Base interactions energy: -1126.115
where: short stacking energy: -456.489
Base-Backbone interact. energy: -1.483
local terms energy: -457.870524
where:
bonds (distance) C4'-P energy: -73.996
bonds (distance) P-C4' energy: -83.763
flat angles C4'-P-C4' energy: -104.954
flat angles P-C4'-P energy: -60.657
tors. eta vs tors. theta energy: -134.500
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: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1555.750236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.750236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.750236 (E_RNA)
where:
Base-Base interactions energy: -1089.133
where: short stacking energy: -454.940
Base-Backbone interact. energy: -0.976
local terms energy: -465.641718
where:
bonds (distance) C4'-P energy: -82.948
bonds (distance) P-C4' energy: -88.067
flat angles C4'-P-C4' energy: -107.108
flat angles P-C4'-P energy: -65.713
tors. eta vs tors. theta energy: -121.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1443.320978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.320978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.320978 (E_RNA)
where:
Base-Base interactions energy: -991.051
where: short stacking energy: -421.894
Base-Backbone interact. energy: -1.804
local terms energy: -450.465719
where:
bonds (distance) C4'-P energy: -90.526
bonds (distance) P-C4' energy: -90.076
flat angles C4'-P-C4' energy: -91.829
flat angles P-C4'-P energy: -54.925
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: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1239.653577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.653577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.653577 (E_RNA)
where:
Base-Base interactions energy: -872.196
where: short stacking energy: -352.291
Base-Backbone interact. energy: 3.535
local terms energy: -370.991933
where:
bonds (distance) C4'-P energy: -68.288
bonds (distance) P-C4' energy: -78.937
flat angles C4'-P-C4' energy: -82.419
flat angles P-C4'-P energy: -50.569
tors. eta vs tors. theta energy: -90.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1078.420060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.420060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.420060 (E_RNA)
where:
Base-Base interactions energy: -715.410
where: short stacking energy: -316.933
Base-Backbone interact. energy: -0.580
local terms energy: -362.430388
where:
bonds (distance) C4'-P energy: -69.262
bonds (distance) P-C4' energy: -85.843
flat angles C4'-P-C4' energy: -77.705
flat angles P-C4'-P energy: -54.394
tors. eta vs tors. theta energy: -75.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -896.552531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.552531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.552531 (E_RNA)
where:
Base-Base interactions energy: -585.509
where: short stacking energy: -263.930
Base-Backbone interact. energy: -0.981
local terms energy: -310.062390
where:
bonds (distance) C4'-P energy: -75.968
bonds (distance) P-C4' energy: -62.224
flat angles C4'-P-C4' energy: -79.906
flat angles P-C4'-P energy: -45.210
tors. eta vs tors. theta energy: -46.754
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: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1798.928563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.928563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.928563 (E_RNA)
where:
Base-Base interactions energy: -1259.614
where: short stacking energy: -526.800
Base-Backbone interact. energy: -2.765
local terms energy: -536.549430
where:
bonds (distance) C4'-P energy: -90.815
bonds (distance) P-C4' energy: -97.821
flat angles C4'-P-C4' energy: -110.235
flat angles P-C4'-P energy: -88.648
tors. eta vs tors. theta energy: -149.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1825.517168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.517168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.517168 (E_RNA)
where:
Base-Base interactions energy: -1272.798
where: short stacking energy: -550.279
Base-Backbone interact. energy: 3.327
local terms energy: -556.046342
where:
bonds (distance) C4'-P energy: -102.736
bonds (distance) P-C4' energy: -104.514
flat angles C4'-P-C4' energy: -105.599
flat angles P-C4'-P energy: -82.831
tors. eta vs tors. theta energy: -160.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1770.787106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.787106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.787106 (E_RNA)
where:
Base-Base interactions energy: -1274.652
where: short stacking energy: -522.956
Base-Backbone interact. energy: -1.425
local terms energy: -494.709776
where:
bonds (distance) C4'-P energy: -90.453
bonds (distance) P-C4' energy: -94.853
flat angles C4'-P-C4' energy: -100.491
flat angles P-C4'-P energy: -60.440
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: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1704.126484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.126484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.126484 (E_RNA)
where:
Base-Base interactions energy: -1194.298
where: short stacking energy: -501.249
Base-Backbone interact. energy: 0.921
local terms energy: -510.749530
where:
bonds (distance) C4'-P energy: -104.289
bonds (distance) P-C4' energy: -80.627
flat angles C4'-P-C4' energy: -107.822
flat angles P-C4'-P energy: -75.141
tors. eta vs tors. theta energy: -142.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1603.414426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.414426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.414426 (E_RNA)
where:
Base-Base interactions energy: -1124.892
where: short stacking energy: -459.479
Base-Backbone interact. energy: 1.707
local terms energy: -480.229306
where:
bonds (distance) C4'-P energy: -95.812
bonds (distance) P-C4' energy: -79.896
flat angles C4'-P-C4' energy: -107.455
flat angles P-C4'-P energy: -61.563
tors. eta vs tors. theta energy: -135.504
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: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1560.890557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.890557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.890557 (E_RNA)
where:
Base-Base interactions energy: -1105.325
where: short stacking energy: -456.259
Base-Backbone interact. energy: -0.855
local terms energy: -454.710312
where:
bonds (distance) C4'-P energy: -69.916
bonds (distance) P-C4' energy: -85.514
flat angles C4'-P-C4' energy: -101.231
flat angles P-C4'-P energy: -70.720
tors. eta vs tors. theta energy: -127.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1421.947207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.947207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.947207 (E_RNA)
where:
Base-Base interactions energy: -1012.541
where: short stacking energy: -432.658
Base-Backbone interact. energy: -0.240
local terms energy: -409.166862
where:
bonds (distance) C4'-P energy: -65.690
bonds (distance) P-C4' energy: -87.501
flat angles C4'-P-C4' energy: -92.533
flat angles P-C4'-P energy: -47.137
tors. eta vs tors. theta energy: -116.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1206.052181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.052181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.052181 (E_RNA)
where:
Base-Base interactions energy: -807.806
where: short stacking energy: -344.714
Base-Backbone interact. energy: -0.939
local terms energy: -397.306750
where:
bonds (distance) C4'-P energy: -75.183
bonds (distance) P-C4' energy: -84.097
flat angles C4'-P-C4' energy: -92.282
flat angles P-C4'-P energy: -51.927
tors. eta vs tors. theta energy: -93.818
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: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -1097.307003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.307003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.307003 (E_RNA)
where:
Base-Base interactions energy: -723.558
where: short stacking energy: -293.582
Base-Backbone interact. energy: 3.355
local terms energy: -377.104565
where:
bonds (distance) C4'-P energy: -90.960
bonds (distance) P-C4' energy: -83.460
flat angles C4'-P-C4' energy: -85.332
flat angles P-C4'-P energy: -57.301
tors. eta vs tors. theta energy: -60.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -870.649552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.649552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.649552 (E_RNA)
where:
Base-Base interactions energy: -547.873
where: short stacking energy: -241.250
Base-Backbone interact. energy: 1.485
local terms energy: -324.261045
where:
bonds (distance) C4'-P energy: -75.944
bonds (distance) P-C4' energy: -87.945
flat angles C4'-P-C4' energy: -83.342
flat angles P-C4'-P energy: -44.695
tors. eta vs tors. theta energy: -32.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1813.098563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.098563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.098563 (E_RNA)
where:
Base-Base interactions energy: -1268.534
where: short stacking energy: -519.998
Base-Backbone interact. energy: -3.176
local terms energy: -541.388011
where:
bonds (distance) C4'-P energy: -104.206
bonds (distance) P-C4' energy: -101.407
flat angles C4'-P-C4' energy: -103.809
flat angles P-C4'-P energy: -86.985
tors. eta vs tors. theta energy: -144.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1807.828352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.828352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.828352 (E_RNA)
where:
Base-Base interactions energy: -1280.702
where: short stacking energy: -547.024
Base-Backbone interact. energy: -0.230
local terms energy: -526.896402
where:
bonds (distance) C4'-P energy: -99.273
bonds (distance) P-C4' energy: -87.416
flat angles C4'-P-C4' energy: -107.673
flat angles P-C4'-P energy: -82.321
tors. eta vs tors. theta energy: -150.214
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: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1770.749984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.749984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.749984 (E_RNA)
where:
Base-Base interactions energy: -1231.395
where: short stacking energy: -524.081
Base-Backbone interact. energy: 1.050
local terms energy: -540.405079
where:
bonds (distance) C4'-P energy: -100.194
bonds (distance) P-C4' energy: -89.688
flat angles C4'-P-C4' energy: -114.908
flat angles P-C4'-P energy: -80.512
tors. eta vs tors. theta energy: -155.104
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: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1679.487977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.487977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.487977 (E_RNA)
where:
Base-Base interactions energy: -1202.930
where: short stacking energy: -480.791
Base-Backbone interact. energy: -1.812
local terms energy: -474.746270
where:
bonds (distance) C4'-P energy: -72.766
bonds (distance) P-C4' energy: -90.329
flat angles C4'-P-C4' energy: -100.367
flat angles P-C4'-P energy: -70.171
tors. eta vs tors. theta energy: -141.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1578.570433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.570433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.570433 (E_RNA)
where:
Base-Base interactions energy: -1101.106
where: short stacking energy: -466.042
Base-Backbone interact. energy: -3.974
local terms energy: -473.489791
where:
bonds (distance) C4'-P energy: -83.593
bonds (distance) P-C4' energy: -85.818
flat angles C4'-P-C4' energy: -104.292
flat angles P-C4'-P energy: -64.580
tors. eta vs tors. theta energy: -135.207
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: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1565.880811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.880811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.880811 (E_RNA)
where:
Base-Base interactions energy: -1084.926
where: short stacking energy: -445.258
Base-Backbone interact. energy: -2.148
local terms energy: -478.806168
where:
bonds (distance) C4'-P energy: -77.018
bonds (distance) P-C4' energy: -80.003
flat angles C4'-P-C4' energy: -102.572
flat angles P-C4'-P energy: -78.579
tors. eta vs tors. theta energy: -140.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1440.368631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.368631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.368631 (E_RNA)
where:
Base-Base interactions energy: -1011.740
where: short stacking energy: -423.037
Base-Backbone interact. energy: -2.294
local terms energy: -426.334352
where:
bonds (distance) C4'-P energy: -66.494
bonds (distance) P-C4' energy: -103.550
flat angles C4'-P-C4' energy: -73.314
flat angles P-C4'-P energy: -61.891
tors. eta vs tors. theta energy: -121.086
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: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1249.197939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.197939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.197939 (E_RNA)
where:
Base-Base interactions energy: -852.167
where: short stacking energy: -353.822
Base-Backbone interact. energy: -2.892
local terms energy: -394.138963
where:
bonds (distance) C4'-P energy: -85.893
bonds (distance) P-C4' energy: -77.068
flat angles C4'-P-C4' energy: -80.268
flat angles P-C4'-P energy: -64.543
tors. eta vs tors. theta energy: -86.368
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: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1045.819773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.819773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.819773 (E_RNA)
where:
Base-Base interactions energy: -669.483
where: short stacking energy: -311.728
Base-Backbone interact. energy: -0.690
local terms energy: -375.646670
where:
bonds (distance) C4'-P energy: -80.246
bonds (distance) P-C4' energy: -82.224
flat angles C4'-P-C4' energy: -87.026
flat angles P-C4'-P energy: -55.902
tors. eta vs tors. theta energy: -70.249
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: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -903.412092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.412092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.412092 (E_RNA)
where:
Base-Base interactions energy: -608.964
where: short stacking energy: -257.999
Base-Backbone interact. energy: 2.466
local terms energy: -296.914652
where:
bonds (distance) C4'-P energy: -76.083
bonds (distance) P-C4' energy: -73.427
flat angles C4'-P-C4' energy: -79.460
flat angles P-C4'-P energy: -35.931
tors. eta vs tors. theta energy: -32.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1809.556429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.556429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.556429 (E_RNA)
where:
Base-Base interactions energy: -1277.303
where: short stacking energy: -520.132
Base-Backbone interact. energy: -0.972
local terms energy: -531.281004
where:
bonds (distance) C4'-P energy: -95.957
bonds (distance) P-C4' energy: -97.212
flat angles C4'-P-C4' energy: -108.967
flat angles P-C4'-P energy: -78.861
tors. eta vs tors. theta energy: -150.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1814.915593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.915593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.915593 (E_RNA)
where:
Base-Base interactions energy: -1278.960
where: short stacking energy: -533.526
Base-Backbone interact. energy: -0.150
local terms energy: -535.805873
where:
bonds (distance) C4'-P energy: -89.388
bonds (distance) P-C4' energy: -91.977
flat angles C4'-P-C4' energy: -123.162
flat angles P-C4'-P energy: -73.378
tors. eta vs tors. theta energy: -157.901
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: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1756.371301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.371301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.371301 (E_RNA)
where:
Base-Base interactions energy: -1235.288
where: short stacking energy: -524.297
Base-Backbone interact. energy: -1.715
local terms energy: -519.368463
where:
bonds (distance) C4'-P energy: -98.801
bonds (distance) P-C4' energy: -85.972
flat angles C4'-P-C4' energy: -108.771
flat angles P-C4'-P energy: -75.998
tors. eta vs tors. theta energy: -149.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1602.506931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.506931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.506931 (E_RNA)
where:
Base-Base interactions energy: -1141.981
where: short stacking energy: -453.090
Base-Backbone interact. energy: -1.114
local terms energy: -459.412094
where:
bonds (distance) C4'-P energy: -72.158
bonds (distance) P-C4' energy: -84.699
flat angles C4'-P-C4' energy: -108.557
flat angles P-C4'-P energy: -70.568
tors. eta vs tors. theta energy: -123.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1620.123192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.123192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.123192 (E_RNA)
where:
Base-Base interactions energy: -1144.732
where: short stacking energy: -483.900
Base-Backbone interact. energy: -3.884
local terms energy: -471.507111
where:
bonds (distance) C4'-P energy: -81.825
bonds (distance) P-C4' energy: -87.470
flat angles C4'-P-C4' energy: -109.570
flat angles P-C4'-P energy: -64.179
tors. eta vs tors. theta energy: -128.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1525.594560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.594560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.594560 (E_RNA)
where:
Base-Base interactions energy: -1062.647
where: short stacking energy: -459.509
Base-Backbone interact. energy: -2.965
local terms energy: -459.982533
where:
bonds (distance) C4'-P energy: -61.459
bonds (distance) P-C4' energy: -94.093
flat angles C4'-P-C4' energy: -104.552
flat angles P-C4'-P energy: -68.611
tors. eta vs tors. theta energy: -131.268
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: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1523.399053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.399053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.399053 (E_RNA)
where:
Base-Base interactions energy: -1061.887
where: short stacking energy: -441.250
Base-Backbone interact. energy: -2.900
local terms energy: -458.612195
where:
bonds (distance) C4'-P energy: -83.526
bonds (distance) P-C4' energy: -82.267
flat angles C4'-P-C4' energy: -103.945
flat angles P-C4'-P energy: -63.924
tors. eta vs tors. theta energy: -124.951
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: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1250.017845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.017845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.017845 (E_RNA)
where:
Base-Base interactions energy: -832.871
where: short stacking energy: -340.350
Base-Backbone interact. energy: -1.077
local terms energy: -416.070607
where:
bonds (distance) C4'-P energy: -83.699
bonds (distance) P-C4' energy: -95.538
flat angles C4'-P-C4' energy: -93.088
flat angles P-C4'-P energy: -53.112
tors. eta vs tors. theta energy: -90.633
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: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -973.130369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.130369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.130369 (E_RNA)
where:
Base-Base interactions energy: -644.758
where: short stacking energy: -296.419
Base-Backbone interact. energy: -1.933
local terms energy: -326.439796
where:
bonds (distance) C4'-P energy: -68.421
bonds (distance) P-C4' energy: -68.919
flat angles C4'-P-C4' energy: -74.862
flat angles P-C4'-P energy: -56.461
tors. eta vs tors. theta energy: -57.777
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: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -890.738492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.738492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.738492 (E_RNA)
where:
Base-Base interactions energy: -581.977
where: short stacking energy: -257.998
Base-Backbone interact. energy: 0.333
local terms energy: -309.094745
where:
bonds (distance) C4'-P energy: -66.099
bonds (distance) P-C4' energy: -77.508
flat angles C4'-P-C4' energy: -78.764
flat angles P-C4'-P energy: -35.645
tors. eta vs tors. theta energy: -51.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1841.132927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.132927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.132927 (E_RNA)
where:
Base-Base interactions energy: -1283.683
where: short stacking energy: -548.198
Base-Backbone interact. energy: -1.231
local terms energy: -556.219035
where:
bonds (distance) C4'-P energy: -100.894
bonds (distance) P-C4' energy: -98.453
flat angles C4'-P-C4' energy: -122.541
flat angles P-C4'-P energy: -78.976
tors. eta vs tors. theta energy: -155.356
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: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1792.165965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.165965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.165965 (E_RNA)
where:
Base-Base interactions energy: -1266.730
where: short stacking energy: -528.739
Base-Backbone interact. energy: -0.099
local terms energy: -525.336327
where:
bonds (distance) C4'-P energy: -104.492
bonds (distance) P-C4' energy: -91.767
flat angles C4'-P-C4' energy: -112.772
flat angles P-C4'-P energy: -68.866
tors. eta vs tors. theta energy: -147.439
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: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1760.359659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.359659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.359659 (E_RNA)
where:
Base-Base interactions energy: -1217.469
where: short stacking energy: -528.612
Base-Backbone interact. energy: -2.180
local terms energy: -540.710317
where:
bonds (distance) C4'-P energy: -90.429
bonds (distance) P-C4' energy: -100.240
flat angles C4'-P-C4' energy: -114.409
flat angles P-C4'-P energy: -81.686
tors. eta vs tors. theta energy: -153.946
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: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1673.935967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.935967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.935967 (E_RNA)
where:
Base-Base interactions energy: -1196.973
where: short stacking energy: -508.244
Base-Backbone interact. energy: 2.834
local terms energy: -479.797149
where:
bonds (distance) C4'-P energy: -90.758
bonds (distance) P-C4' energy: -78.469
flat angles C4'-P-C4' energy: -103.755
flat angles P-C4'-P energy: -69.023
tors. eta vs tors. theta energy: -137.793
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: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1664.351925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.351925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.351925 (E_RNA)
where:
Base-Base interactions energy: -1174.517
where: short stacking energy: -504.185
Base-Backbone interact. energy: -0.305
local terms energy: -489.529296
where:
bonds (distance) C4'-P energy: -83.575
bonds (distance) P-C4' energy: -93.019
flat angles C4'-P-C4' energy: -107.152
flat angles P-C4'-P energy: -58.319
tors. eta vs tors. theta energy: -147.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1486.717307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.717307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.717307 (E_RNA)
where:
Base-Base interactions energy: -1022.363
where: short stacking energy: -429.830
Base-Backbone interact. energy: 0.207
local terms energy: -464.561419
where:
bonds (distance) C4'-P energy: -65.559
bonds (distance) P-C4' energy: -76.897
flat angles C4'-P-C4' energy: -113.291
flat angles P-C4'-P energy: -83.381
tors. eta vs tors. theta energy: -125.434
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: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1461.397751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.397751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.397751 (E_RNA)
where:
Base-Base interactions energy: -1007.062
where: short stacking energy: -410.095
Base-Backbone interact. energy: -0.010
local terms energy: -454.325776
where:
bonds (distance) C4'-P energy: -81.199
bonds (distance) P-C4' energy: -93.321
flat angles C4'-P-C4' energy: -104.681
flat angles P-C4'-P energy: -60.419
tors. eta vs tors. theta energy: -114.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1253.753764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.753764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.753764 (E_RNA)
where:
Base-Base interactions energy: -843.329
where: short stacking energy: -364.001
Base-Backbone interact. energy: 3.766
local terms energy: -414.190086
where:
bonds (distance) C4'-P energy: -75.592
bonds (distance) P-C4' energy: -106.782
flat angles C4'-P-C4' energy: -94.114
flat angles P-C4'-P energy: -45.149
tors. eta vs tors. theta energy: -92.553
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: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1064.181202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.181202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.181202 (E_RNA)
where:
Base-Base interactions energy: -701.018
where: short stacking energy: -291.933
Base-Backbone interact. energy: -0.987
local terms energy: -362.176263
where:
bonds (distance) C4'-P energy: -94.783
bonds (distance) P-C4' energy: -63.699
flat angles C4'-P-C4' energy: -84.442
flat angles P-C4'-P energy: -55.310
tors. eta vs tors. theta energy: -63.941
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: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -849.099434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.099434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.099434 (E_RNA)
where:
Base-Base interactions energy: -558.685
where: short stacking energy: -229.494
Base-Backbone interact. energy: 2.907
local terms energy: -293.321194
where:
bonds (distance) C4'-P energy: -68.083
bonds (distance) P-C4' energy: -80.534
flat angles C4'-P-C4' energy: -77.119
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: -33.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1842.226393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.226393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.226393 (E_RNA)
where:
Base-Base interactions energy: -1284.835
where: short stacking energy: -547.012
Base-Backbone interact. energy: -0.973
local terms energy: -556.418469
where:
bonds (distance) C4'-P energy: -98.276
bonds (distance) P-C4' energy: -99.766
flat angles C4'-P-C4' energy: -112.216
flat angles P-C4'-P energy: -77.240
tors. eta vs tors. theta energy: -168.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1806.086372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.086372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.086372 (E_RNA)
where:
Base-Base interactions energy: -1283.010
where: short stacking energy: -519.887
Base-Backbone interact. energy: -0.766
local terms energy: -522.310648
where:
bonds (distance) C4'-P energy: -89.173
bonds (distance) P-C4' energy: -87.410
flat angles C4'-P-C4' energy: -110.796
flat angles P-C4'-P energy: -83.577
tors. eta vs tors. theta energy: -151.355
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: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1787.638076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.638076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.638076 (E_RNA)
where:
Base-Base interactions energy: -1259.542
where: short stacking energy: -542.538
Base-Backbone interact. energy: -3.614
local terms energy: -524.481762
where:
bonds (distance) C4'-P energy: -90.230
bonds (distance) P-C4' energy: -89.000
flat angles C4'-P-C4' energy: -106.298
flat angles P-C4'-P energy: -79.539
tors. eta vs tors. theta energy: -159.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1714.453115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.453115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.453115 (E_RNA)
where:
Base-Base interactions energy: -1219.427
where: short stacking energy: -511.324
Base-Backbone interact. energy: 0.876
local terms energy: -495.902150
where:
bonds (distance) C4'-P energy: -87.661
bonds (distance) P-C4' energy: -72.586
flat angles C4'-P-C4' energy: -112.352
flat angles P-C4'-P energy: -71.215
tors. eta vs tors. theta energy: -152.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1589.321127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.321127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.321127 (E_RNA)
where:
Base-Base interactions energy: -1119.417
where: short stacking energy: -471.151
Base-Backbone interact. energy: 0.171
local terms energy: -470.074774
where:
bonds (distance) C4'-P energy: -70.520
bonds (distance) P-C4' energy: -92.471
flat angles C4'-P-C4' energy: -101.056
flat angles P-C4'-P energy: -75.127
tors. eta vs tors. theta energy: -130.900
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: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1495.429391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.429391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.429391 (E_RNA)
where:
Base-Base interactions energy: -1062.092
where: short stacking energy: -427.784
Base-Backbone interact. energy: -2.204
local terms energy: -431.133455
where:
bonds (distance) C4'-P energy: -77.592
bonds (distance) P-C4' energy: -81.776
flat angles C4'-P-C4' energy: -88.594
flat angles P-C4'-P energy: -64.907
tors. eta vs tors. theta energy: -118.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1409.720451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.720451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.720451 (E_RNA)
where:
Base-Base interactions energy: -963.217
where: short stacking energy: -386.312
Base-Backbone interact. energy: 1.095
local terms energy: -447.598333
where:
bonds (distance) C4'-P energy: -85.017
bonds (distance) P-C4' energy: -87.279
flat angles C4'-P-C4' energy: -97.932
flat angles P-C4'-P energy: -64.289
tors. eta vs tors. theta energy: -113.082
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: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1211.419883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.419883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.419883 (E_RNA)
where:
Base-Base interactions energy: -829.022
where: short stacking energy: -341.415
Base-Backbone interact. energy: 1.679
local terms energy: -384.076180
where:
bonds (distance) C4'-P energy: -66.248
bonds (distance) P-C4' energy: -82.950
flat angles C4'-P-C4' energy: -96.741
flat angles P-C4'-P energy: -47.631
tors. eta vs tors. theta energy: -90.506
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: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1022.395583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.395583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.395583 (E_RNA)
where:
Base-Base interactions energy: -659.403
where: short stacking energy: -296.696
Base-Backbone interact. energy: -1.341
local terms energy: -361.651753
where:
bonds (distance) C4'-P energy: -75.546
bonds (distance) P-C4' energy: -94.064
flat angles C4'-P-C4' energy: -86.026
flat angles P-C4'-P energy: -44.114
tors. eta vs tors. theta energy: -61.902
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: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -800.171626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.171626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.171626 (E_RNA)
where:
Base-Base interactions energy: -481.322
where: short stacking energy: -230.412
Base-Backbone interact. energy: -1.458
local terms energy: -317.391501
where:
bonds (distance) C4'-P energy: -69.423
bonds (distance) P-C4' energy: -94.309
flat angles C4'-P-C4' energy: -68.979
flat angles P-C4'-P energy: -45.641
tors. eta vs tors. theta energy: -39.040
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: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1812.140247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.140247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.140247 (E_RNA)
where:
Base-Base interactions energy: -1287.878
where: short stacking energy: -529.671
Base-Backbone interact. energy: -2.135
local terms energy: -522.127566
where:
bonds (distance) C4'-P energy: -94.142
bonds (distance) P-C4' energy: -94.378
flat angles C4'-P-C4' energy: -111.665
flat angles P-C4'-P energy: -71.535
tors. eta vs tors. theta energy: -150.407
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: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1824.020385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.020385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.020385 (E_RNA)
where:
Base-Base interactions energy: -1257.606
where: short stacking energy: -535.586
Base-Backbone interact. energy: -1.283
local terms energy: -565.132072
where:
bonds (distance) C4'-P energy: -95.191
bonds (distance) P-C4' energy: -104.515
flat angles C4'-P-C4' energy: -115.408
flat angles P-C4'-P energy: -86.977
tors. eta vs tors. theta energy: -163.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1769.515343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.515343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.515343 (E_RNA)
where:
Base-Base interactions energy: -1239.867
where: short stacking energy: -513.621
Base-Backbone interact. energy: -1.342
local terms energy: -528.307094
where:
bonds (distance) C4'-P energy: -99.249
bonds (distance) P-C4' energy: -84.620
flat angles C4'-P-C4' energy: -113.307
flat angles P-C4'-P energy: -75.530
tors. eta vs tors. theta energy: -155.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1729.640055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.640055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.640055 (E_RNA)
where:
Base-Base interactions energy: -1212.582
where: short stacking energy: -507.893
Base-Backbone interact. energy: -1.698
local terms energy: -515.360406
where:
bonds (distance) C4'-P energy: -88.175
bonds (distance) P-C4' energy: -94.617
flat angles C4'-P-C4' energy: -114.381
flat angles P-C4'-P energy: -71.360
tors. eta vs tors. theta energy: -146.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1573.085249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.085249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.085249 (E_RNA)
where:
Base-Base interactions energy: -1109.633
where: short stacking energy: -465.147
Base-Backbone interact. energy: 0.194
local terms energy: -463.645996
where:
bonds (distance) C4'-P energy: -91.387
bonds (distance) P-C4' energy: -71.098
flat angles C4'-P-C4' energy: -99.823
flat angles P-C4'-P energy: -68.235
tors. eta vs tors. theta energy: -133.102
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: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1546.369815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.369815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.369815 (E_RNA)
where:
Base-Base interactions energy: -1076.639
where: short stacking energy: -445.285
Base-Backbone interact. energy: -0.309
local terms energy: -469.422161
where:
bonds (distance) C4'-P energy: -85.179
bonds (distance) P-C4' energy: -91.520
flat angles C4'-P-C4' energy: -92.677
flat angles P-C4'-P energy: -71.119
tors. eta vs tors. theta energy: -128.927
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: 7, replica: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1436.058203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.058203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.058203 (E_RNA)
where:
Base-Base interactions energy: -1006.189
where: short stacking energy: -415.917
Base-Backbone interact. energy: -2.691
local terms energy: -427.178990
where:
bonds (distance) C4'-P energy: -94.470
bonds (distance) P-C4' energy: -74.964
flat angles C4'-P-C4' energy: -95.875
flat angles P-C4'-P energy: -54.515
tors. eta vs tors. theta energy: -107.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1273.749522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.749522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.749522 (E_RNA)
where:
Base-Base interactions energy: -900.895
where: short stacking energy: -386.081
Base-Backbone interact. energy: -1.359
local terms energy: -371.494725
where:
bonds (distance) C4'-P energy: -65.264
bonds (distance) P-C4' energy: -71.100
flat angles C4'-P-C4' energy: -89.950
flat angles P-C4'-P energy: -50.387
tors. eta vs tors. theta energy: -94.794
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: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -1051.905102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.905102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.905102 (E_RNA)
where:
Base-Base interactions energy: -679.443
where: short stacking energy: -292.577
Base-Backbone interact. energy: 7.260
local terms energy: -379.722198
where:
bonds (distance) C4'-P energy: -93.812
bonds (distance) P-C4' energy: -90.584
flat angles C4'-P-C4' energy: -84.751
flat angles P-C4'-P energy: -56.593
tors. eta vs tors. theta energy: -53.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -941.603328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.603328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.603328 (E_RNA)
where:
Base-Base interactions energy: -600.997
where: short stacking energy: -267.359
Base-Backbone interact. energy: -2.083
local terms energy: -338.522831
where:
bonds (distance) C4'-P energy: -69.992
bonds (distance) P-C4' energy: -75.304
flat angles C4'-P-C4' energy: -73.448
flat angles P-C4'-P energy: -48.142
tors. eta vs tors. theta energy: -71.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1833.303643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.303643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.303643 (E_RNA)
where:
Base-Base interactions energy: -1287.358
where: short stacking energy: -536.875
Base-Backbone interact. energy: 0.160
local terms energy: -546.106281
where:
bonds (distance) C4'-P energy: -103.357
bonds (distance) P-C4' energy: -100.685
flat angles C4'-P-C4' energy: -111.552
flat angles P-C4'-P energy: -74.296
tors. eta vs tors. theta energy: -156.217
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: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1813.295173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.295173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.295173 (E_RNA)
where:
Base-Base interactions energy: -1282.649
where: short stacking energy: -538.910
Base-Backbone interact. energy: -3.810
local terms energy: -526.835587
where:
bonds (distance) C4'-P energy: -83.248
bonds (distance) P-C4' energy: -104.793
flat angles C4'-P-C4' energy: -108.171
flat angles P-C4'-P energy: -76.028
tors. eta vs tors. theta energy: -154.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1777.434172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.434172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.434172 (E_RNA)
where:
Base-Base interactions energy: -1267.226
where: short stacking energy: -530.842
Base-Backbone interact. energy: -0.418
local terms energy: -509.790560
where:
bonds (distance) C4'-P energy: -87.641
bonds (distance) P-C4' energy: -97.404
flat angles C4'-P-C4' energy: -97.393
flat angles P-C4'-P energy: -71.759
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: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1704.924296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.924296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.924296 (E_RNA)
where:
Base-Base interactions energy: -1199.946
where: short stacking energy: -505.696
Base-Backbone interact. energy: -2.179
local terms energy: -502.799016
where:
bonds (distance) C4'-P energy: -91.616
bonds (distance) P-C4' energy: -97.410
flat angles C4'-P-C4' energy: -95.502
flat angles P-C4'-P energy: -68.382
tors. eta vs tors. theta energy: -149.889
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: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1565.784009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.784009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.784009 (E_RNA)
where:
Base-Base interactions energy: -1114.854
where: short stacking energy: -465.274
Base-Backbone interact. energy: -0.869
local terms energy: -450.060118
where:
bonds (distance) C4'-P energy: -70.690
bonds (distance) P-C4' energy: -93.719
flat angles C4'-P-C4' energy: -101.977
flat angles P-C4'-P energy: -64.290
tors. eta vs tors. theta energy: -119.384
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: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1519.366867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.366867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.366867 (E_RNA)
where:
Base-Base interactions energy: -1080.787
where: short stacking energy: -451.018
Base-Backbone interact. energy: 1.622
local terms energy: -440.201779
where:
bonds (distance) C4'-P energy: -71.710
bonds (distance) P-C4' energy: -75.251
flat angles C4'-P-C4' energy: -97.913
flat angles P-C4'-P energy: -65.113
tors. eta vs tors. theta energy: -130.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1448.075051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.075051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.075051 (E_RNA)
where:
Base-Base interactions energy: -1011.667
where: short stacking energy: -423.404
Base-Backbone interact. energy: 1.167
local terms energy: -437.575340
where:
bonds (distance) C4'-P energy: -77.525
bonds (distance) P-C4' energy: -78.345
flat angles C4'-P-C4' energy: -95.301
flat angles P-C4'-P energy: -68.882
tors. eta vs tors. theta energy: -117.523
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: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1314.878182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.878182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.878182 (E_RNA)
where:
Base-Base interactions energy: -907.470
where: short stacking energy: -399.213
Base-Backbone interact. energy: -0.486
local terms energy: -406.922682
where:
bonds (distance) C4'-P energy: -74.870
bonds (distance) P-C4' energy: -78.186
flat angles C4'-P-C4' energy: -90.180
flat angles P-C4'-P energy: -55.064
tors. eta vs tors. theta energy: -108.623
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: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -975.872760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.872760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.872760 (E_RNA)
where:
Base-Base interactions energy: -636.919
where: short stacking energy: -264.740
Base-Backbone interact. energy: 12.273
local terms energy: -351.226203
where:
bonds (distance) C4'-P energy: -81.447
bonds (distance) P-C4' energy: -96.621
flat angles C4'-P-C4' energy: -69.795
flat angles P-C4'-P energy: -43.584
tors. eta vs tors. theta energy: -59.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -879.404000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.404000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.404000 (E_RNA)
where:
Base-Base interactions energy: -568.784
where: short stacking energy: -229.175
Base-Backbone interact. energy: -2.850
local terms energy: -307.770199
where:
bonds (distance) C4'-P energy: -71.203
bonds (distance) P-C4' energy: -81.157
flat angles C4'-P-C4' energy: -76.242
flat angles P-C4'-P energy: -30.356
tors. eta vs tors. theta energy: -48.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1838.870818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.870818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.870818 (E_RNA)
where:
Base-Base interactions energy: -1295.159
where: short stacking energy: -539.104
Base-Backbone interact. energy: -1.751
local terms energy: -541.960549
where:
bonds (distance) C4'-P energy: -103.598
bonds (distance) P-C4' energy: -92.676
flat angles C4'-P-C4' energy: -114.671
flat angles P-C4'-P energy: -74.704
tors. eta vs tors. theta energy: -156.312
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: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1795.547631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.547631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.547631 (E_RNA)
where:
Base-Base interactions energy: -1284.365
where: short stacking energy: -527.571
Base-Backbone interact. energy: -0.539
local terms energy: -510.642765
where:
bonds (distance) C4'-P energy: -79.307
bonds (distance) P-C4' energy: -89.643
flat angles C4'-P-C4' energy: -113.685
flat angles P-C4'-P energy: -78.302
tors. eta vs tors. theta energy: -149.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1780.776538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.776538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.776538 (E_RNA)
where:
Base-Base interactions energy: -1260.118
where: short stacking energy: -528.998
Base-Backbone interact. energy: -0.804
local terms energy: -519.854196
where:
bonds (distance) C4'-P energy: -97.206
bonds (distance) P-C4' energy: -86.025
flat angles C4'-P-C4' energy: -103.145
flat angles P-C4'-P energy: -70.553
tors. eta vs tors. theta energy: -162.925
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: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1694.849618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.849618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.849618 (E_RNA)
where:
Base-Base interactions energy: -1186.031
where: short stacking energy: -501.545
Base-Backbone interact. energy: -0.769
local terms energy: -508.049541
where:
bonds (distance) C4'-P energy: -80.223
bonds (distance) P-C4' energy: -102.353
flat angles C4'-P-C4' energy: -112.579
flat angles P-C4'-P energy: -61.672
tors. eta vs tors. theta energy: -151.223
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: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1580.425890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.425890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.425890 (E_RNA)
where:
Base-Base interactions energy: -1105.184
where: short stacking energy: -460.102
Base-Backbone interact. energy: -2.056
local terms energy: -473.185539
where:
bonds (distance) C4'-P energy: -78.957
bonds (distance) P-C4' energy: -89.956
flat angles C4'-P-C4' energy: -102.380
flat angles P-C4'-P energy: -72.712
tors. eta vs tors. theta energy: -129.179
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: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1557.020935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.020935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.020935 (E_RNA)
where:
Base-Base interactions energy: -1073.914
where: short stacking energy: -451.636
Base-Backbone interact. energy: 0.084
local terms energy: -483.190506
where:
bonds (distance) C4'-P energy: -83.716
bonds (distance) P-C4' energy: -71.042
flat angles C4'-P-C4' energy: -105.052
flat angles P-C4'-P energy: -73.724
tors. eta vs tors. theta energy: -149.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1462.505501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.505501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.505501 (E_RNA)
where:
Base-Base interactions energy: -1018.751
where: short stacking energy: -422.252
Base-Backbone interact. energy: -2.709
local terms energy: -441.045840
where:
bonds (distance) C4'-P energy: -74.372
bonds (distance) P-C4' energy: -90.845
flat angles C4'-P-C4' energy: -92.718
flat angles P-C4'-P energy: -74.030
tors. eta vs tors. theta energy: -109.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1342.059702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.059702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.059702 (E_RNA)
where:
Base-Base interactions energy: -934.360
where: short stacking energy: -378.270
Base-Backbone interact. energy: -2.163
local terms energy: -405.536304
where:
bonds (distance) C4'-P energy: -78.601
bonds (distance) P-C4' energy: -80.617
flat angles C4'-P-C4' energy: -71.555
flat angles P-C4'-P energy: -61.564
tors. eta vs tors. theta energy: -113.200
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: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1078.066697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.066697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.066697 (E_RNA)
where:
Base-Base interactions energy: -701.727
where: short stacking energy: -310.910
Base-Backbone interact. energy: -1.655
local terms energy: -374.685536
where:
bonds (distance) C4'-P energy: -60.838
bonds (distance) P-C4' energy: -85.935
flat angles C4'-P-C4' energy: -81.600
flat angles P-C4'-P energy: -64.628
tors. eta vs tors. theta energy: -81.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -786.164588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.164588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.164588 (E_RNA)
where:
Base-Base interactions energy: -477.722
where: short stacking energy: -227.054
Base-Backbone interact. energy: -1.905
local terms energy: -306.537930
where:
bonds (distance) C4'-P energy: -77.807
bonds (distance) P-C4' energy: -82.018
flat angles C4'-P-C4' energy: -71.771
flat angles P-C4'-P energy: -40.213
tors. eta vs tors. theta energy: -34.729
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: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1815.721945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.721945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.721945 (E_RNA)
where:
Base-Base interactions energy: -1281.532
where: short stacking energy: -543.930
Base-Backbone interact. energy: -2.516
local terms energy: -531.673781
where:
bonds (distance) C4'-P energy: -93.395
bonds (distance) P-C4' energy: -102.413
flat angles C4'-P-C4' energy: -103.848
flat angles P-C4'-P energy: -70.395
tors. eta vs tors. theta energy: -161.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1805.257550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.257550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.257550 (E_RNA)
where:
Base-Base interactions energy: -1267.698
where: short stacking energy: -541.678
Base-Backbone interact. energy: -2.973
local terms energy: -534.586700
where:
bonds (distance) C4'-P energy: -87.567
bonds (distance) P-C4' energy: -92.199
flat angles C4'-P-C4' energy: -115.919
flat angles P-C4'-P energy: -73.254
tors. eta vs tors. theta energy: -165.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1757.759807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.759807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.759807 (E_RNA)
where:
Base-Base interactions energy: -1247.111
where: short stacking energy: -502.626
Base-Backbone interact. energy: -2.334
local terms energy: -508.315040
where:
bonds (distance) C4'-P energy: -90.521
bonds (distance) P-C4' energy: -83.258
flat angles C4'-P-C4' energy: -108.102
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -147.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1715.382163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.382163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.382163 (E_RNA)
where:
Base-Base interactions energy: -1201.776
where: short stacking energy: -508.908
Base-Backbone interact. energy: -1.035
local terms energy: -512.571008
where:
bonds (distance) C4'-P energy: -98.460
bonds (distance) P-C4' energy: -91.546
flat angles C4'-P-C4' energy: -110.362
flat angles P-C4'-P energy: -71.534
tors. eta vs tors. theta energy: -140.668
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: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1593.312421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.312421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.312421 (E_RNA)
where:
Base-Base interactions energy: -1126.096
where: short stacking energy: -472.341
Base-Backbone interact. energy: 1.039
local terms energy: -468.255859
where:
bonds (distance) C4'-P energy: -79.401
bonds (distance) P-C4' energy: -79.187
flat angles C4'-P-C4' energy: -100.686
flat angles P-C4'-P energy: -68.972
tors. eta vs tors. theta energy: -140.010
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: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1580.615364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.615364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.615364 (E_RNA)
where:
Base-Base interactions energy: -1084.377
where: short stacking energy: -464.387
Base-Backbone interact. energy: -0.856
local terms energy: -495.382368
where:
bonds (distance) C4'-P energy: -87.471
bonds (distance) P-C4' energy: -90.912
flat angles C4'-P-C4' energy: -102.910
flat angles P-C4'-P energy: -68.702
tors. eta vs tors. theta energy: -145.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1488.302271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.302271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.302271 (E_RNA)
where:
Base-Base interactions energy: -1017.065
where: short stacking energy: -407.681
Base-Backbone interact. energy: 1.182
local terms energy: -472.419618
where:
bonds (distance) C4'-P energy: -100.295
bonds (distance) P-C4' energy: -90.534
flat angles C4'-P-C4' energy: -99.855
flat angles P-C4'-P energy: -72.742
tors. eta vs tors. theta energy: -108.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1261.420349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.420349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.420349 (E_RNA)
where:
Base-Base interactions energy: -838.407
where: short stacking energy: -369.861
Base-Backbone interact. energy: -1.887
local terms energy: -421.125928
where:
bonds (distance) C4'-P energy: -91.274
bonds (distance) P-C4' energy: -90.215
flat angles C4'-P-C4' energy: -88.158
flat angles P-C4'-P energy: -48.821
tors. eta vs tors. theta energy: -102.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1085.476750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.476750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.476750 (E_RNA)
where:
Base-Base interactions energy: -762.507
where: short stacking energy: -333.069
Base-Backbone interact. energy: 5.657
local terms energy: -328.627534
where:
bonds (distance) C4'-P energy: -69.269
bonds (distance) P-C4' energy: -68.922
flat angles C4'-P-C4' energy: -73.313
flat angles P-C4'-P energy: -51.823
tors. eta vs tors. theta energy: -65.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -723.528202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.528202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.528202 (E_RNA)
where:
Base-Base interactions energy: -446.027
where: short stacking energy: -217.775
Base-Backbone interact. energy: -0.695
local terms energy: -276.806962
where:
bonds (distance) C4'-P energy: -84.725
bonds (distance) P-C4' energy: -79.647
flat angles C4'-P-C4' energy: -57.940
flat angles P-C4'-P energy: -35.059
tors. eta vs tors. theta energy: -19.437
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: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1829.067853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.067853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.067853 (E_RNA)
where:
Base-Base interactions energy: -1290.374
where: short stacking energy: -527.804
Base-Backbone interact. energy: -1.883
local terms energy: -536.811606
where:
bonds (distance) C4'-P energy: -98.100
bonds (distance) P-C4' energy: -102.434
flat angles C4'-P-C4' energy: -112.194
flat angles P-C4'-P energy: -72.800
tors. eta vs tors. theta energy: -151.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1784.778234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.778234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.778234 (E_RNA)
where:
Base-Base interactions energy: -1260.176
where: short stacking energy: -526.424
Base-Backbone interact. energy: -1.251
local terms energy: -523.351219
where:
bonds (distance) C4'-P energy: -91.150
bonds (distance) P-C4' energy: -89.152
flat angles C4'-P-C4' energy: -116.996
flat angles P-C4'-P energy: -75.846
tors. eta vs tors. theta energy: -150.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1731.158106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.158106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.158106 (E_RNA)
where:
Base-Base interactions energy: -1218.106
where: short stacking energy: -526.792
Base-Backbone interact. energy: 0.291
local terms energy: -513.343190
where:
bonds (distance) C4'-P energy: -84.274
bonds (distance) P-C4' energy: -96.079
flat angles C4'-P-C4' energy: -104.535
flat angles P-C4'-P energy: -75.463
tors. eta vs tors. theta energy: -152.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1708.304355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.304355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.304355 (E_RNA)
where:
Base-Base interactions energy: -1203.251
where: short stacking energy: -505.779
Base-Backbone interact. energy: 1.312
local terms energy: -506.366058
where:
bonds (distance) C4'-P energy: -98.729
bonds (distance) P-C4' energy: -79.040
flat angles C4'-P-C4' energy: -110.745
flat angles P-C4'-P energy: -75.200
tors. eta vs tors. theta energy: -142.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1619.675897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.675897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.675897 (E_RNA)
where:
Base-Base interactions energy: -1133.841
where: short stacking energy: -471.645
Base-Backbone interact. energy: -1.083
local terms energy: -484.751731
where:
bonds (distance) C4'-P energy: -86.431
bonds (distance) P-C4' energy: -92.188
flat angles C4'-P-C4' energy: -99.034
flat angles P-C4'-P energy: -69.367
tors. eta vs tors. theta energy: -137.731
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: 264
Temperature: 1.150000
Total energy: -1577.269184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.269184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.269184 (E_RNA)
where:
Base-Base interactions energy: -1081.510
where: short stacking energy: -451.434
Base-Backbone interact. energy: 1.359
local terms energy: -497.117324
where:
bonds (distance) C4'-P energy: -82.011
bonds (distance) P-C4' energy: -103.300
flat angles C4'-P-C4' energy: -104.534
flat angles P-C4'-P energy: -72.860
tors. eta vs tors. theta energy: -134.413
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: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1427.474914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.474914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.474914 (E_RNA)
where:
Base-Base interactions energy: -998.642
where: short stacking energy: -403.371
Base-Backbone interact. energy: -2.946
local terms energy: -425.887717
where:
bonds (distance) C4'-P energy: -82.269
bonds (distance) P-C4' energy: -74.771
flat angles C4'-P-C4' energy: -106.156
flat angles P-C4'-P energy: -50.829
tors. eta vs tors. theta energy: -111.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1213.362632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.362632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.362632 (E_RNA)
where:
Base-Base interactions energy: -840.728
where: short stacking energy: -351.541
Base-Backbone interact. energy: -1.648
local terms energy: -370.986628
where:
bonds (distance) C4'-P energy: -83.503
bonds (distance) P-C4' energy: -52.292
flat angles C4'-P-C4' energy: -84.345
flat angles P-C4'-P energy: -62.871
tors. eta vs tors. theta energy: -87.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1087.192275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.192275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.192275 (E_RNA)
where:
Base-Base interactions energy: -731.374
where: short stacking energy: -306.893
Base-Backbone interact. energy: -4.137
local terms energy: -351.680944
where:
bonds (distance) C4'-P energy: -74.177
bonds (distance) P-C4' energy: -91.747
flat angles C4'-P-C4' energy: -69.511
flat angles P-C4'-P energy: -46.948
tors. eta vs tors. theta energy: -69.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -790.751291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.751291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.751291 (E_RNA)
where:
Base-Base interactions energy: -473.111
where: short stacking energy: -233.212
Base-Backbone interact. energy: -0.846
local terms energy: -316.793929
where:
bonds (distance) C4'-P energy: -65.401
bonds (distance) P-C4' energy: -89.063
flat angles C4'-P-C4' energy: -66.058
flat angles P-C4'-P energy: -59.012
tors. eta vs tors. theta energy: -37.260
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: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1847.081186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.081186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.081186 (E_RNA)
where:
Base-Base interactions energy: -1309.020
where: short stacking energy: -540.862
Base-Backbone interact. energy: -3.627
local terms energy: -534.434058
where:
bonds (distance) C4'-P energy: -96.408
bonds (distance) P-C4' energy: -88.876
flat angles C4'-P-C4' energy: -109.790
flat angles P-C4'-P energy: -80.266
tors. eta vs tors. theta energy: -159.094
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: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1789.858530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.858530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.858530 (E_RNA)
where:
Base-Base interactions energy: -1261.019
where: short stacking energy: -523.636
Base-Backbone interact. energy: -1.989
local terms energy: -526.850195
where:
bonds (distance) C4'-P energy: -96.650
bonds (distance) P-C4' energy: -84.675
flat angles C4'-P-C4' energy: -116.931
flat angles P-C4'-P energy: -80.201
tors. eta vs tors. theta energy: -148.393
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: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1761.278515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.278515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.278515 (E_RNA)
where:
Base-Base interactions energy: -1252.659
where: short stacking energy: -539.098
Base-Backbone interact. energy: -3.813
local terms energy: -504.806618
where:
bonds (distance) C4'-P energy: -82.927
bonds (distance) P-C4' energy: -92.043
flat angles C4'-P-C4' energy: -105.004
flat angles P-C4'-P energy: -73.186
tors. eta vs tors. theta energy: -151.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1723.586056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.586056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.586056 (E_RNA)
where:
Base-Base interactions energy: -1198.344
where: short stacking energy: -495.122
Base-Backbone interact. energy: -2.369
local terms energy: -522.872944
where:
bonds (distance) C4'-P energy: -97.792
bonds (distance) P-C4' energy: -84.847
flat angles C4'-P-C4' energy: -109.718
flat angles P-C4'-P energy: -79.395
tors. eta vs tors. theta energy: -151.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1614.807173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.807173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.807173 (E_RNA)
where:
Base-Base interactions energy: -1143.687
where: short stacking energy: -478.641
Base-Backbone interact. energy: -0.663
local terms energy: -470.457199
where:
bonds (distance) C4'-P energy: -66.573
bonds (distance) P-C4' energy: -75.999
flat angles C4'-P-C4' energy: -111.812
flat angles P-C4'-P energy: -78.845
tors. eta vs tors. theta energy: -137.228
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: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1572.775292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.775292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.775292 (E_RNA)
where:
Base-Base interactions energy: -1099.667
where: short stacking energy: -453.145
Base-Backbone interact. energy: -0.807
local terms energy: -472.300986
where:
bonds (distance) C4'-P energy: -81.776
bonds (distance) P-C4' energy: -96.561
flat angles C4'-P-C4' energy: -100.937
flat angles P-C4'-P energy: -57.278
tors. eta vs tors. theta energy: -135.749
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: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1415.814162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.814162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.814162 (E_RNA)
where:
Base-Base interactions energy: -983.193
where: short stacking energy: -418.383
Base-Backbone interact. energy: 0.757
local terms energy: -433.378554
where:
bonds (distance) C4'-P energy: -82.062
bonds (distance) P-C4' energy: -83.438
flat angles C4'-P-C4' energy: -98.368
flat angles P-C4'-P energy: -61.477
tors. eta vs tors. theta energy: -108.033
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: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1290.414758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.414758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.414758 (E_RNA)
where:
Base-Base interactions energy: -877.455
where: short stacking energy: -371.486
Base-Backbone interact. energy: -3.143
local terms energy: -409.815936
where:
bonds (distance) C4'-P energy: -82.303
bonds (distance) P-C4' energy: -87.180
flat angles C4'-P-C4' energy: -92.999
flat angles P-C4'-P energy: -42.616
tors. eta vs tors. theta energy: -104.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1140.715302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.715302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.715302 (E_RNA)
where:
Base-Base interactions energy: -764.629
where: short stacking energy: -340.692
Base-Backbone interact. energy: -1.213
local terms energy: -374.872629
where:
bonds (distance) C4'-P energy: -81.823
bonds (distance) P-C4' energy: -84.494
flat angles C4'-P-C4' energy: -74.123
flat angles P-C4'-P energy: -57.409
tors. eta vs tors. theta energy: -77.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -801.363316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.363316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.363316 (E_RNA)
where:
Base-Base interactions energy: -486.213
where: short stacking energy: -231.368
Base-Backbone interact. energy: -2.355
local terms energy: -312.796237
where:
bonds (distance) C4'-P energy: -72.112
bonds (distance) P-C4' energy: -84.246
flat angles C4'-P-C4' energy: -82.205
flat angles P-C4'-P energy: -50.006
tors. eta vs tors. theta energy: -24.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1853.784884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.784884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.784884 (E_RNA)
where:
Base-Base interactions energy: -1314.946
where: short stacking energy: -521.931
Base-Backbone interact. energy: -0.919
local terms energy: -537.919953
where:
bonds (distance) C4'-P energy: -98.470
bonds (distance) P-C4' energy: -90.968
flat angles C4'-P-C4' energy: -120.589
flat angles P-C4'-P energy: -74.770
tors. eta vs tors. theta energy: -153.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1789.990947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.990947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.990947 (E_RNA)
where:
Base-Base interactions energy: -1254.815
where: short stacking energy: -505.619
Base-Backbone interact. energy: 0.084
local terms energy: -535.259985
where:
bonds (distance) C4'-P energy: -88.698
bonds (distance) P-C4' energy: -106.464
flat angles C4'-P-C4' energy: -111.262
flat angles P-C4'-P energy: -80.148
tors. eta vs tors. theta energy: -148.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1765.438243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.438243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.438243 (E_RNA)
where:
Base-Base interactions energy: -1226.025
where: short stacking energy: -497.937
Base-Backbone interact. energy: -1.807
local terms energy: -537.606210
where:
bonds (distance) C4'-P energy: -97.567
bonds (distance) P-C4' energy: -91.015
flat angles C4'-P-C4' energy: -113.338
flat angles P-C4'-P energy: -83.923
tors. eta vs tors. theta energy: -151.764
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: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1734.094618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.094618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.094618 (E_RNA)
where:
Base-Base interactions energy: -1241.050
where: short stacking energy: -527.508
Base-Backbone interact. energy: -1.110
local terms energy: -491.934027
where:
bonds (distance) C4'-P energy: -82.842
bonds (distance) P-C4' energy: -91.222
flat angles C4'-P-C4' energy: -101.957
flat angles P-C4'-P energy: -61.911
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: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1596.541223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.541223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.541223 (E_RNA)
where:
Base-Base interactions energy: -1115.464
where: short stacking energy: -453.026
Base-Backbone interact. energy: 0.848
local terms energy: -481.924882
where:
bonds (distance) C4'-P energy: -85.853
bonds (distance) P-C4' energy: -93.805
flat angles C4'-P-C4' energy: -93.516
flat angles P-C4'-P energy: -70.356
tors. eta vs tors. theta energy: -138.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1550.382929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.382929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.382929 (E_RNA)
where:
Base-Base interactions energy: -1098.364
where: short stacking energy: -458.902
Base-Backbone interact. energy: -2.193
local terms energy: -449.825875
where:
bonds (distance) C4'-P energy: -71.579
bonds (distance) P-C4' energy: -79.032
flat angles C4'-P-C4' energy: -110.942
flat angles P-C4'-P energy: -56.120
tors. eta vs tors. theta energy: -132.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1437.183824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.183824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.183824 (E_RNA)
where:
Base-Base interactions energy: -1037.192
where: short stacking energy: -425.761
Base-Backbone interact. energy: -0.581
local terms energy: -399.411360
where:
bonds (distance) C4'-P energy: -78.199
bonds (distance) P-C4' energy: -79.306
flat angles C4'-P-C4' energy: -96.724
flat angles P-C4'-P energy: -32.769
tors. eta vs tors. theta energy: -112.414
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: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1260.876222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.876222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.876222 (E_RNA)
where:
Base-Base interactions energy: -866.333
where: short stacking energy: -354.657
Base-Backbone interact. energy: 0.290
local terms energy: -394.832805
where:
bonds (distance) C4'-P energy: -72.369
bonds (distance) P-C4' energy: -92.905
flat angles C4'-P-C4' energy: -76.336
flat angles P-C4'-P energy: -52.650
tors. eta vs tors. theta energy: -100.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1078.513495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.513495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.513495 (E_RNA)
where:
Base-Base interactions energy: -743.372
where: short stacking energy: -301.424
Base-Backbone interact. energy: 3.702
local terms energy: -338.843505
where:
bonds (distance) C4'-P energy: -78.267
bonds (distance) P-C4' energy: -71.466
flat angles C4'-P-C4' energy: -76.997
flat angles P-C4'-P energy: -47.272
tors. eta vs tors. theta energy: -64.842
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: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -815.808983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.808983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.808983 (E_RNA)
where:
Base-Base interactions energy: -508.321
where: short stacking energy: -222.959
Base-Backbone interact. energy: -1.858
local terms energy: -305.629266
where:
bonds (distance) C4'-P energy: -74.667
bonds (distance) P-C4' energy: -71.718
flat angles C4'-P-C4' energy: -85.617
flat angles P-C4'-P energy: -44.904
tors. eta vs tors. theta energy: -28.724
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: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1855.047964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.047964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.047964 (E_RNA)
where:
Base-Base interactions energy: -1292.850
where: short stacking energy: -531.580
Base-Backbone interact. energy: -0.623
local terms energy: -561.575005
where:
bonds (distance) C4'-P energy: -102.710
bonds (distance) P-C4' energy: -103.075
flat angles C4'-P-C4' energy: -117.743
flat angles P-C4'-P energy: -80.016
tors. eta vs tors. theta energy: -158.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1799.957179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.957179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.957179 (E_RNA)
where:
Base-Base interactions energy: -1261.769
where: short stacking energy: -509.532
Base-Backbone interact. energy: -0.215
local terms energy: -537.973148
where:
bonds (distance) C4'-P energy: -105.829
bonds (distance) P-C4' energy: -95.925
flat angles C4'-P-C4' energy: -110.954
flat angles P-C4'-P energy: -78.965
tors. eta vs tors. theta energy: -146.300
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: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1768.004037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.004037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.004037 (E_RNA)
where:
Base-Base interactions energy: -1262.836
where: short stacking energy: -531.631
Base-Backbone interact. energy: 0.148
local terms energy: -505.316513
where:
bonds (distance) C4'-P energy: -87.926
bonds (distance) P-C4' energy: -91.405
flat angles C4'-P-C4' energy: -106.322
flat angles P-C4'-P energy: -65.367
tors. eta vs tors. theta energy: -154.297
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: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1758.433242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.433242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.433242 (E_RNA)
where:
Base-Base interactions energy: -1239.138
where: short stacking energy: -515.913
Base-Backbone interact. energy: -0.742
local terms energy: -518.552701
where:
bonds (distance) C4'-P energy: -87.315
bonds (distance) P-C4' energy: -93.342
flat angles C4'-P-C4' energy: -114.308
flat angles P-C4'-P energy: -71.019
tors. eta vs tors. theta energy: -152.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1577.744184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.744184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.744184 (E_RNA)
where:
Base-Base interactions energy: -1100.423
where: short stacking energy: -450.949
Base-Backbone interact. energy: -0.178
local terms energy: -477.143518
where:
bonds (distance) C4'-P energy: -93.675
bonds (distance) P-C4' energy: -95.278
flat angles C4'-P-C4' energy: -99.355
flat angles P-C4'-P energy: -66.149
tors. eta vs tors. theta energy: -122.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1475.308478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.308478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.308478 (E_RNA)
where:
Base-Base interactions energy: -1059.725
where: short stacking energy: -441.851
Base-Backbone interact. energy: -0.781
local terms energy: -414.802970
where:
bonds (distance) C4'-P energy: -70.783
bonds (distance) P-C4' energy: -75.373
flat angles C4'-P-C4' energy: -101.447
flat angles P-C4'-P energy: -49.271
tors. eta vs tors. theta energy: -117.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1508.086765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.086765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.086765 (E_RNA)
where:
Base-Base interactions energy: -1069.471
where: short stacking energy: -430.705
Base-Backbone interact. energy: -2.425
local terms energy: -436.191326
where:
bonds (distance) C4'-P energy: -87.029
bonds (distance) P-C4' energy: -76.116
flat angles C4'-P-C4' energy: -95.924
flat angles P-C4'-P energy: -58.215
tors. eta vs tors. theta energy: -118.907
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: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1328.814985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.814985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.814985 (E_RNA)
where:
Base-Base interactions energy: -929.009
where: short stacking energy: -401.661
Base-Backbone interact. energy: 0.869
local terms energy: -400.674084
where:
bonds (distance) C4'-P energy: -83.862
bonds (distance) P-C4' energy: -65.023
flat angles C4'-P-C4' energy: -92.178
flat angles P-C4'-P energy: -49.322
tors. eta vs tors. theta energy: -110.288
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: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1039.290815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.290815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.290815 (E_RNA)
where:
Base-Base interactions energy: -679.918
where: short stacking energy: -285.258
Base-Backbone interact. energy: -1.784
local terms energy: -357.588459
where:
bonds (distance) C4'-P energy: -93.586
bonds (distance) P-C4' energy: -82.917
flat angles C4'-P-C4' energy: -80.042
flat angles P-C4'-P energy: -48.993
tors. eta vs tors. theta energy: -52.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -855.842166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.842166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.842166 (E_RNA)
where:
Base-Base interactions energy: -544.615
where: short stacking energy: -239.662
Base-Backbone interact. energy: 1.956
local terms energy: -313.183528
where:
bonds (distance) C4'-P energy: -82.882
bonds (distance) P-C4' energy: -85.287
flat angles C4'-P-C4' energy: -77.215
flat angles P-C4'-P energy: -32.104
tors. eta vs tors. theta energy: -35.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1849.156070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.156070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.156070 (E_RNA)
where:
Base-Base interactions energy: -1295.803
where: short stacking energy: -532.643
Base-Backbone interact. energy: 0.129
local terms energy: -553.482788
where:
bonds (distance) C4'-P energy: -100.273
bonds (distance) P-C4' energy: -94.599
flat angles C4'-P-C4' energy: -118.370
flat angles P-C4'-P energy: -81.335
tors. eta vs tors. theta energy: -158.906
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: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1814.546759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.546759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.546759 (E_RNA)
where:
Base-Base interactions energy: -1276.789
where: short stacking energy: -536.162
Base-Backbone interact. energy: 0.426
local terms energy: -538.184354
where:
bonds (distance) C4'-P energy: -91.193
bonds (distance) P-C4' energy: -98.204
flat angles C4'-P-C4' energy: -113.775
flat angles P-C4'-P energy: -84.097
tors. eta vs tors. theta energy: -150.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1774.629359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.629359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.629359 (E_RNA)
where:
Base-Base interactions energy: -1240.339
where: short stacking energy: -527.658
Base-Backbone interact. energy: -1.719
local terms energy: -532.571337
where:
bonds (distance) C4'-P energy: -85.297
bonds (distance) P-C4' energy: -97.805
flat angles C4'-P-C4' energy: -114.325
flat angles P-C4'-P energy: -80.036
tors. eta vs tors. theta energy: -155.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1722.593536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.593536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.593536 (E_RNA)
where:
Base-Base interactions energy: -1228.642
where: short stacking energy: -509.520
Base-Backbone interact. energy: -0.511
local terms energy: -493.440529
where:
bonds (distance) C4'-P energy: -87.513
bonds (distance) P-C4' energy: -80.002
flat angles C4'-P-C4' energy: -103.210
flat angles P-C4'-P energy: -79.096
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: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1582.542366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.542366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.542366 (E_RNA)
where:
Base-Base interactions energy: -1113.505
where: short stacking energy: -455.337
Base-Backbone interact. energy: -1.781
local terms energy: -467.256256
where:
bonds (distance) C4'-P energy: -88.205
bonds (distance) P-C4' energy: -90.533
flat angles C4'-P-C4' energy: -100.546
flat angles P-C4'-P energy: -58.987
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: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1434.564181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.564181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.564181 (E_RNA)
where:
Base-Base interactions energy: -1001.014
where: short stacking energy: -406.823
Base-Backbone interact. energy: -1.282
local terms energy: -432.268078
where:
bonds (distance) C4'-P energy: -84.538
bonds (distance) P-C4' energy: -85.519
flat angles C4'-P-C4' energy: -95.623
flat angles P-C4'-P energy: -54.211
tors. eta vs tors. theta energy: -112.378
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: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1462.141639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.141639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.141639 (E_RNA)
where:
Base-Base interactions energy: -1010.484
where: short stacking energy: -429.018
Base-Backbone interact. energy: -2.583
local terms energy: -449.074557
where:
bonds (distance) C4'-P energy: -82.129
bonds (distance) P-C4' energy: -72.606
flat angles C4'-P-C4' energy: -106.348
flat angles P-C4'-P energy: -60.086
tors. eta vs tors. theta energy: -127.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1262.965907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.965907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.965907 (E_RNA)
where:
Base-Base interactions energy: -857.608
where: short stacking energy: -369.963
Base-Backbone interact. energy: 2.562
local terms energy: -407.919694
where:
bonds (distance) C4'-P energy: -85.966
bonds (distance) P-C4' energy: -86.690
flat angles C4'-P-C4' energy: -91.060
flat angles P-C4'-P energy: -48.886
tors. eta vs tors. theta energy: -95.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1046.241234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.241234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.241234 (E_RNA)
where:
Base-Base interactions energy: -697.024
where: short stacking energy: -302.437
Base-Backbone interact. energy: -2.445
local terms energy: -346.772534
where:
bonds (distance) C4'-P energy: -92.750
bonds (distance) P-C4' energy: -81.256
flat angles C4'-P-C4' energy: -76.827
flat angles P-C4'-P energy: -39.612
tors. eta vs tors. theta energy: -56.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -879.213921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.213921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.213921 (E_RNA)
where:
Base-Base interactions energy: -559.555
where: short stacking energy: -252.004
Base-Backbone interact. energy: -0.685
local terms energy: -318.974460
where:
bonds (distance) C4'-P energy: -82.734
bonds (distance) P-C4' energy: -90.294
flat angles C4'-P-C4' energy: -73.667
flat angles P-C4'-P energy: -33.753
tors. eta vs tors. theta energy: -38.526
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: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1860.295030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.295030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.295030 (E_RNA)
where:
Base-Base interactions energy: -1323.504
where: short stacking energy: -559.762
Base-Backbone interact. energy: -2.208
local terms energy: -534.583127
where:
bonds (distance) C4'-P energy: -96.491
bonds (distance) P-C4' energy: -94.549
flat angles C4'-P-C4' energy: -119.441
flat angles P-C4'-P energy: -65.158
tors. eta vs tors. theta energy: -158.944
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: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1801.272133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.272133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.272133 (E_RNA)
where:
Base-Base interactions energy: -1253.334
where: short stacking energy: -541.578
Base-Backbone interact. energy: -1.002
local terms energy: -546.936165
where:
bonds (distance) C4'-P energy: -97.998
bonds (distance) P-C4' energy: -107.198
flat angles C4'-P-C4' energy: -104.142
flat angles P-C4'-P energy: -78.531
tors. eta vs tors. theta energy: -159.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1768.722663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.722663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.722663 (E_RNA)
where:
Base-Base interactions energy: -1236.946
where: short stacking energy: -526.810
Base-Backbone interact. energy: -1.604
local terms energy: -530.172866
where:
bonds (distance) C4'-P energy: -100.303
bonds (distance) P-C4' energy: -100.657
flat angles C4'-P-C4' energy: -109.540
flat angles P-C4'-P energy: -71.118
tors. eta vs tors. theta energy: -148.554
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: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1740.886196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.886196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.886196 (E_RNA)
where:
Base-Base interactions energy: -1208.809
where: short stacking energy: -521.829
Base-Backbone interact. energy: -2.864
local terms energy: -529.213661
where:
bonds (distance) C4'-P energy: -98.584
bonds (distance) P-C4' energy: -88.277
flat angles C4'-P-C4' energy: -109.228
flat angles P-C4'-P energy: -76.970
tors. eta vs tors. theta energy: -156.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1567.273082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.273082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.273082 (E_RNA)
where:
Base-Base interactions energy: -1110.222
where: short stacking energy: -465.788
Base-Backbone interact. energy: -0.924
local terms energy: -456.127017
where:
bonds (distance) C4'-P energy: -71.873
bonds (distance) P-C4' energy: -77.399
flat angles C4'-P-C4' energy: -101.197
flat angles P-C4'-P energy: -69.172
tors. eta vs tors. theta energy: -136.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1507.718927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.718927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.718927 (E_RNA)
where:
Base-Base interactions energy: -1052.921
where: short stacking energy: -445.428
Base-Backbone interact. energy: 1.199
local terms energy: -455.996871
where:
bonds (distance) C4'-P energy: -84.111
bonds (distance) P-C4' energy: -80.761
flat angles C4'-P-C4' energy: -93.296
flat angles P-C4'-P energy: -69.969
tors. eta vs tors. theta energy: -127.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1451.632544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.632544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.632544 (E_RNA)
where:
Base-Base interactions energy: -1016.189
where: short stacking energy: -425.886
Base-Backbone interact. energy: -1.598
local terms energy: -433.845038
where:
bonds (distance) C4'-P energy: -83.144
bonds (distance) P-C4' energy: -78.289
flat angles C4'-P-C4' energy: -95.691
flat angles P-C4'-P energy: -61.652
tors. eta vs tors. theta energy: -115.070
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: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1254.735542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.735542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.735542 (E_RNA)
where:
Base-Base interactions energy: -818.937
where: short stacking energy: -354.640
Base-Backbone interact. energy: -3.167
local terms energy: -432.632219
where:
bonds (distance) C4'-P energy: -85.460
bonds (distance) P-C4' energy: -87.542
flat angles C4'-P-C4' energy: -98.575
flat angles P-C4'-P energy: -71.356
tors. eta vs tors. theta energy: -89.699
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: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1020.309016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.309016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.309016 (E_RNA)
where:
Base-Base interactions energy: -680.598
where: short stacking energy: -303.916
Base-Backbone interact. energy: -1.408
local terms energy: -338.303559
where:
bonds (distance) C4'-P energy: -63.583
bonds (distance) P-C4' energy: -63.753
flat angles C4'-P-C4' energy: -83.094
flat angles P-C4'-P energy: -62.425
tors. eta vs tors. theta energy: -65.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -839.418725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.418725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.418725 (E_RNA)
where:
Base-Base interactions energy: -485.558
where: short stacking energy: -210.891
Base-Backbone interact. energy: -2.657
local terms energy: -351.203167
where:
bonds (distance) C4'-P energy: -92.071
bonds (distance) P-C4' energy: -87.838
flat angles C4'-P-C4' energy: -85.544
flat angles P-C4'-P energy: -51.007
tors. eta vs tors. theta energy: -34.743
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: 8
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1852.009804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.009804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.009804 (E_RNA)
where:
Base-Base interactions energy: -1294.603
where: short stacking energy: -531.947
Base-Backbone interact. energy: 3.751
local terms energy: -561.157166
where:
bonds (distance) C4'-P energy: -94.697
bonds (distance) P-C4' energy: -100.569
flat angles C4'-P-C4' energy: -118.116
flat angles P-C4'-P energy: -87.482
tors. eta vs tors. theta energy: -160.293
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: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1785.331512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.331512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.331512 (E_RNA)
where:
Base-Base interactions energy: -1243.264
where: short stacking energy: -513.683
Base-Backbone interact. energy: 0.801
local terms energy: -542.868884
where:
bonds (distance) C4'-P energy: -106.428
bonds (distance) P-C4' energy: -104.230
flat angles C4'-P-C4' energy: -109.144
flat angles P-C4'-P energy: -69.830
tors. eta vs tors. theta energy: -153.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1783.665506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.665506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.665506 (E_RNA)
where:
Base-Base interactions energy: -1266.348
where: short stacking energy: -541.575
Base-Backbone interact. energy: -1.557
local terms energy: -515.760884
where:
bonds (distance) C4'-P energy: -87.378
bonds (distance) P-C4' energy: -91.664
flat angles C4'-P-C4' energy: -109.339
flat angles P-C4'-P energy: -73.657
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: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1711.648242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.648242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.648242 (E_RNA)
where:
Base-Base interactions energy: -1207.686
where: short stacking energy: -510.865
Base-Backbone interact. energy: -0.505
local terms energy: -503.456500
where:
bonds (distance) C4'-P energy: -84.207
bonds (distance) P-C4' energy: -84.510
flat angles C4'-P-C4' energy: -108.620
flat angles P-C4'-P energy: -68.964
tors. eta vs tors. theta energy: -157.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1549.660926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.660926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.660926 (E_RNA)
where:
Base-Base interactions energy: -1078.885
where: short stacking energy: -450.056
Base-Backbone interact. energy: -2.060
local terms energy: -468.715869
where:
bonds (distance) C4'-P energy: -92.603
bonds (distance) P-C4' energy: -81.856
flat angles C4'-P-C4' energy: -94.629
flat angles P-C4'-P energy: -72.709
tors. eta vs tors. theta energy: -126.919
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: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1525.004613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.004613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.004613 (E_RNA)
where:
Base-Base interactions energy: -1036.177
where: short stacking energy: -430.620
Base-Backbone interact. energy: -0.785
local terms energy: -488.042924
where:
bonds (distance) C4'-P energy: -98.171
bonds (distance) P-C4' energy: -85.194
flat angles C4'-P-C4' energy: -103.118
flat angles P-C4'-P energy: -65.340
tors. eta vs tors. theta energy: -136.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1483.482963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.482963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.482963 (E_RNA)
where:
Base-Base interactions energy: -1054.722
where: short stacking energy: -453.696
Base-Backbone interact. energy: -1.125
local terms energy: -427.635918
where:
bonds (distance) C4'-P energy: -66.647
bonds (distance) P-C4' energy: -78.923
flat angles C4'-P-C4' energy: -98.347
flat angles P-C4'-P energy: -66.274
tors. eta vs tors. theta energy: -117.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1166.557980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.557980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.557980 (E_RNA)
where:
Base-Base interactions energy: -781.309
where: short stacking energy: -333.053
Base-Backbone interact. energy: 2.067
local terms energy: -387.315656
where:
bonds (distance) C4'-P energy: -89.801
bonds (distance) P-C4' energy: -68.144
flat angles C4'-P-C4' energy: -93.152
flat angles P-C4'-P energy: -56.025
tors. eta vs tors. theta energy: -80.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1083.864585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.864585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.864585 (E_RNA)
where:
Base-Base interactions energy: -721.021
where: short stacking energy: -306.981
Base-Backbone interact. energy: 1.023
local terms energy: -363.866124
where:
bonds (distance) C4'-P energy: -85.811
bonds (distance) P-C4' energy: -77.010
flat angles C4'-P-C4' energy: -87.862
flat angles P-C4'-P energy: -50.405
tors. eta vs tors. theta energy: -62.777
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: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -905.466195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.466195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.466195 (E_RNA)
where:
Base-Base interactions energy: -586.915
where: short stacking energy: -258.663
Base-Backbone interact. energy: 1.471
local terms energy: -320.022531
where:
bonds (distance) C4'-P energy: -70.008
bonds (distance) P-C4' energy: -87.658
flat angles C4'-P-C4' energy: -84.966
flat angles P-C4'-P energy: -38.910
tors. eta vs tors. theta energy: -38.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1861.800039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.800039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.800039 (E_RNA)
where:
Base-Base interactions energy: -1318.186
where: short stacking energy: -547.866
Base-Backbone interact. energy: -2.367
local terms energy: -541.246736
where:
bonds (distance) C4'-P energy: -89.577
bonds (distance) P-C4' energy: -99.306
flat angles C4'-P-C4' energy: -113.990
flat angles P-C4'-P energy: -77.195
tors. eta vs tors. theta energy: -161.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1823.548008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.548008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.548008 (E_RNA)
where:
Base-Base interactions energy: -1314.469
where: short stacking energy: -529.122
Base-Backbone interact. energy: -1.399
local terms energy: -507.680289
where:
bonds (distance) C4'-P energy: -92.742
bonds (distance) P-C4' energy: -83.746
flat angles C4'-P-C4' energy: -107.386
flat angles P-C4'-P energy: -77.846
tors. eta vs tors. theta energy: -145.961
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: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1754.777244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.777244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.777244 (E_RNA)
where:
Base-Base interactions energy: -1226.596
where: short stacking energy: -500.905
Base-Backbone interact. energy: -3.612
local terms energy: -524.568477
where:
bonds (distance) C4'-P energy: -89.516
bonds (distance) P-C4' energy: -97.889
flat angles C4'-P-C4' energy: -104.489
flat angles P-C4'-P energy: -72.922
tors. eta vs tors. theta energy: -159.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1724.141915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.141915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.141915 (E_RNA)
where:
Base-Base interactions energy: -1228.310
where: short stacking energy: -510.368
Base-Backbone interact. energy: -0.730
local terms energy: -495.102047
where:
bonds (distance) C4'-P energy: -71.454
bonds (distance) P-C4' energy: -85.267
flat angles C4'-P-C4' energy: -116.453
flat angles P-C4'-P energy: -77.647
tors. eta vs tors. theta energy: -144.281
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: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1599.545821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.545821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.545821 (E_RNA)
where:
Base-Base interactions energy: -1133.591
where: short stacking energy: -466.218
Base-Backbone interact. energy: 3.288
local terms energy: -469.242415
where:
bonds (distance) C4'-P energy: -85.522
bonds (distance) P-C4' energy: -85.308
flat angles C4'-P-C4' energy: -101.140
flat angles P-C4'-P energy: -70.326
tors. eta vs tors. theta energy: -126.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1549.842742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.842742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.842742 (E_RNA)
where:
Base-Base interactions energy: -1095.071
where: short stacking energy: -459.155
Base-Backbone interact. energy: -0.038
local terms energy: -454.733094
where:
bonds (distance) C4'-P energy: -72.877
bonds (distance) P-C4' energy: -84.945
flat angles C4'-P-C4' energy: -100.680
flat angles P-C4'-P energy: -58.499
tors. eta vs tors. theta energy: -137.731
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: 271
Temperature: 1.200000
Total energy: -1482.337752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.337752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.337752 (E_RNA)
where:
Base-Base interactions energy: -1044.081
where: short stacking energy: -422.502
Base-Backbone interact. energy: 0.066
local terms energy: -438.322714
where:
bonds (distance) C4'-P energy: -81.581
bonds (distance) P-C4' energy: -80.541
flat angles C4'-P-C4' energy: -97.960
flat angles P-C4'-P energy: -55.144
tors. eta vs tors. theta energy: -123.097
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: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1225.351453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.351453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.351453 (E_RNA)
where:
Base-Base interactions energy: -828.215
where: short stacking energy: -367.238
Base-Backbone interact. energy: -0.295
local terms energy: -396.841063
where:
bonds (distance) C4'-P energy: -76.700
bonds (distance) P-C4' energy: -87.008
flat angles C4'-P-C4' energy: -72.416
flat angles P-C4'-P energy: -67.393
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: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1027.749197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.749197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.749197 (E_RNA)
where:
Base-Base interactions energy: -656.433
where: short stacking energy: -298.950
Base-Backbone interact. energy: -3.132
local terms energy: -368.184460
where:
bonds (distance) C4'-P energy: -83.341
bonds (distance) P-C4' energy: -90.147
flat angles C4'-P-C4' energy: -76.084
flat angles P-C4'-P energy: -51.953
tors. eta vs tors. theta energy: -66.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -860.562367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.562367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.562367 (E_RNA)
where:
Base-Base interactions energy: -535.269
where: short stacking energy: -240.122
Base-Backbone interact. energy: 1.249
local terms energy: -326.542991
where:
bonds (distance) C4'-P energy: -86.108
bonds (distance) P-C4' energy: -77.153
flat angles C4'-P-C4' energy: -68.310
flat angles P-C4'-P energy: -41.369
tors. eta vs tors. theta energy: -53.604
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: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1844.813442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.813442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.813442 (E_RNA)
where:
Base-Base interactions energy: -1284.685
where: short stacking energy: -552.183
Base-Backbone interact. energy: -0.679
local terms energy: -559.449585
where:
bonds (distance) C4'-P energy: -107.951
bonds (distance) P-C4' energy: -95.721
flat angles C4'-P-C4' energy: -118.173
flat angles P-C4'-P energy: -79.614
tors. eta vs tors. theta energy: -157.989
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: 2, replica: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1825.342749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.342749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.342749 (E_RNA)
where:
Base-Base interactions energy: -1294.959
where: short stacking energy: -544.557
Base-Backbone interact. energy: -2.760
local terms energy: -527.624567
where:
bonds (distance) C4'-P energy: -99.632
bonds (distance) P-C4' energy: -87.472
flat angles C4'-P-C4' energy: -111.899
flat angles P-C4'-P energy: -78.757
tors. eta vs tors. theta energy: -149.865
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: 272
Temperature: 1.000000
Total energy: -1771.816223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.816223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.816223 (E_RNA)
where:
Base-Base interactions energy: -1252.931
where: short stacking energy: -535.365
Base-Backbone interact. energy: -1.662
local terms energy: -517.223380
where:
bonds (distance) C4'-P energy: -87.136
bonds (distance) P-C4' energy: -95.651
flat angles C4'-P-C4' energy: -100.731
flat angles P-C4'-P energy: -75.007
tors. eta vs tors. theta energy: -158.698
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: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1712.647382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.647382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.647382 (E_RNA)
where:
Base-Base interactions energy: -1206.116
where: short stacking energy: -496.560
Base-Backbone interact. energy: -0.371
local terms energy: -506.160066
where:
bonds (distance) C4'-P energy: -85.246
bonds (distance) P-C4' energy: -100.621
flat angles C4'-P-C4' energy: -101.340
flat angles P-C4'-P energy: -69.857
tors. eta vs tors. theta energy: -149.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1535.911647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.911647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.911647 (E_RNA)
where:
Base-Base interactions energy: -1060.719
where: short stacking energy: -449.079
Base-Backbone interact. energy: -1.827
local terms energy: -473.365612
where:
bonds (distance) C4'-P energy: -78.104
bonds (distance) P-C4' energy: -85.387
flat angles C4'-P-C4' energy: -103.876
flat angles P-C4'-P energy: -72.689
tors. eta vs tors. theta energy: -133.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1596.140125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.140125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.140125 (E_RNA)
where:
Base-Base interactions energy: -1137.296
where: short stacking energy: -460.625
Base-Backbone interact. energy: -3.344
local terms energy: -455.500084
where:
bonds (distance) C4'-P energy: -67.408
bonds (distance) P-C4' energy: -91.715
flat angles C4'-P-C4' energy: -96.335
flat angles P-C4'-P energy: -68.243
tors. eta vs tors. theta energy: -131.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1470.106907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.106907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.106907 (E_RNA)
where:
Base-Base interactions energy: -993.417
where: short stacking energy: -419.810
Base-Backbone interact. energy: -1.446
local terms energy: -475.244799
where:
bonds (distance) C4'-P energy: -95.457
bonds (distance) P-C4' energy: -79.392
flat angles C4'-P-C4' energy: -113.284
flat angles P-C4'-P energy: -63.678
tors. eta vs tors. theta energy: -123.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1218.682467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.682467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.682467 (E_RNA)
where:
Base-Base interactions energy: -820.295
where: short stacking energy: -360.031
Base-Backbone interact. energy: -3.052
local terms energy: -395.335405
where:
bonds (distance) C4'-P energy: -65.984
bonds (distance) P-C4' energy: -89.194
flat angles C4'-P-C4' energy: -87.843
flat angles P-C4'-P energy: -66.624
tors. eta vs tors. theta energy: -85.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1066.198134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.198134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.198134 (E_RNA)
where:
Base-Base interactions energy: -680.851
where: short stacking energy: -312.090
Base-Backbone interact. energy: -2.931
local terms energy: -382.415666
where:
bonds (distance) C4'-P energy: -87.150
bonds (distance) P-C4' energy: -78.970
flat angles C4'-P-C4' energy: -94.761
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -70.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -916.030964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.030964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.030964 (E_RNA)
where:
Base-Base interactions energy: -614.734
where: short stacking energy: -259.309
Base-Backbone interact. energy: -0.790
local terms energy: -300.506683
where:
bonds (distance) C4'-P energy: -63.586
bonds (distance) P-C4' energy: -95.526
flat angles C4'-P-C4' energy: -59.549
flat angles P-C4'-P energy: -34.712
tors. eta vs tors. theta energy: -47.133
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: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1862.792471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.792471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.792471 (E_RNA)
where:
Base-Base interactions energy: -1316.919
where: short stacking energy: -558.293
Base-Backbone interact. energy: 0.288
local terms energy: -546.161218
where:
bonds (distance) C4'-P energy: -99.386
bonds (distance) P-C4' energy: -94.046
flat angles C4'-P-C4' energy: -114.318
flat angles P-C4'-P energy: -82.127
tors. eta vs tors. theta energy: -156.285
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: 6
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1819.133904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.133904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.133904 (E_RNA)
where:
Base-Base interactions energy: -1311.781
where: short stacking energy: -537.236
Base-Backbone interact. energy: -0.922
local terms energy: -506.431139
where:
bonds (distance) C4'-P energy: -89.689
bonds (distance) P-C4' energy: -80.243
flat angles C4'-P-C4' energy: -106.601
flat angles P-C4'-P energy: -79.975
tors. eta vs tors. theta energy: -149.924
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: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1770.523081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.523081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.523081 (E_RNA)
where:
Base-Base interactions energy: -1237.024
where: short stacking energy: -516.256
Base-Backbone interact. energy: 1.780
local terms energy: -535.278991
where:
bonds (distance) C4'-P energy: -96.339
bonds (distance) P-C4' energy: -99.806
flat angles C4'-P-C4' energy: -103.660
flat angles P-C4'-P energy: -82.360
tors. eta vs tors. theta energy: -153.114
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: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1717.887446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.887446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.887446 (E_RNA)
where:
Base-Base interactions energy: -1224.552
where: short stacking energy: -507.727
Base-Backbone interact. energy: -0.408
local terms energy: -492.926721
where:
bonds (distance) C4'-P energy: -73.745
bonds (distance) P-C4' energy: -97.102
flat angles C4'-P-C4' energy: -98.105
flat angles P-C4'-P energy: -70.725
tors. eta vs tors. theta energy: -153.250
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: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1587.675937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.675937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.675937 (E_RNA)
where:
Base-Base interactions energy: -1099.400
where: short stacking energy: -448.354
Base-Backbone interact. energy: -3.173
local terms energy: -485.102857
where:
bonds (distance) C4'-P energy: -86.423
bonds (distance) P-C4' energy: -93.119
flat angles C4'-P-C4' energy: -111.700
flat angles P-C4'-P energy: -72.449
tors. eta vs tors. theta energy: -121.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1562.431039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.431039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.431039 (E_RNA)
where:
Base-Base interactions energy: -1103.726
where: short stacking energy: -465.011
Base-Backbone interact. energy: -1.553
local terms energy: -457.151301
where:
bonds (distance) C4'-P energy: -91.896
bonds (distance) P-C4' energy: -81.929
flat angles C4'-P-C4' energy: -92.388
flat angles P-C4'-P energy: -57.863
tors. eta vs tors. theta energy: -133.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1426.971502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.971502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.971502 (E_RNA)
where:
Base-Base interactions energy: -1013.431
where: short stacking energy: -427.564
Base-Backbone interact. energy: -1.122
local terms energy: -412.418089
where:
bonds (distance) C4'-P energy: -70.062
bonds (distance) P-C4' energy: -85.646
flat angles C4'-P-C4' energy: -91.727
flat angles P-C4'-P energy: -52.807
tors. eta vs tors. theta energy: -112.176
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: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1281.868644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.868644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.868644 (E_RNA)
where:
Base-Base interactions energy: -857.669
where: short stacking energy: -373.594
Base-Backbone interact. energy: -2.328
local terms energy: -421.872061
where:
bonds (distance) C4'-P energy: -72.464
bonds (distance) P-C4' energy: -99.004
flat angles C4'-P-C4' energy: -95.639
flat angles P-C4'-P energy: -56.595
tors. eta vs tors. theta energy: -98.170
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: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1142.808546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.808546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.808546 (E_RNA)
where:
Base-Base interactions energy: -747.572
where: short stacking energy: -329.649
Base-Backbone interact. energy: -0.085
local terms energy: -395.151856
where:
bonds (distance) C4'-P energy: -87.616
bonds (distance) P-C4' energy: -85.866
flat angles C4'-P-C4' energy: -92.881
flat angles P-C4'-P energy: -54.422
tors. eta vs tors. theta energy: -74.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -927.647861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.647861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.647861 (E_RNA)
where:
Base-Base interactions energy: -608.942
where: short stacking energy: -265.839
Base-Backbone interact. energy: -1.588
local terms energy: -317.117452
where:
bonds (distance) C4'-P energy: -76.479
bonds (distance) P-C4' energy: -73.923
flat angles C4'-P-C4' energy: -83.060
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: -47.409
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: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1843.427587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.427587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.427587 (E_RNA)
where:
Base-Base interactions energy: -1273.027
where: short stacking energy: -556.168
Base-Backbone interact. energy: -2.753
local terms energy: -567.647215
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -104.271
flat angles C4'-P-C4' energy: -116.270
flat angles P-C4'-P energy: -83.282
tors. eta vs tors. theta energy: -160.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1826.412737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.412737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.412737 (E_RNA)
where:
Base-Base interactions energy: -1286.040
where: short stacking energy: -544.206
Base-Backbone interact. energy: 0.225
local terms energy: -540.597485
where:
bonds (distance) C4'-P energy: -100.804
bonds (distance) P-C4' energy: -84.521
flat angles C4'-P-C4' energy: -112.857
flat angles P-C4'-P energy: -78.358
tors. eta vs tors. theta energy: -164.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1771.996633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.996633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.996633 (E_RNA)
where:
Base-Base interactions energy: -1247.039
where: short stacking energy: -512.437
Base-Backbone interact. energy: -2.728
local terms energy: -522.229059
where:
bonds (distance) C4'-P energy: -93.999
bonds (distance) P-C4' energy: -96.958
flat angles C4'-P-C4' energy: -109.517
flat angles P-C4'-P energy: -73.452
tors. eta vs tors. theta energy: -148.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1767.386016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.386016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.386016 (E_RNA)
where:
Base-Base interactions energy: -1241.687
where: short stacking energy: -515.912
Base-Backbone interact. energy: -1.487
local terms energy: -524.212457
where:
bonds (distance) C4'-P energy: -80.413
bonds (distance) P-C4' energy: -101.139
flat angles C4'-P-C4' energy: -105.074
flat angles P-C4'-P energy: -75.369
tors. eta vs tors. theta energy: -162.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1622.255576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.255576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.255576 (E_RNA)
where:
Base-Base interactions energy: -1142.341
where: short stacking energy: -482.857
Base-Backbone interact. energy: 2.573
local terms energy: -482.487312
where:
bonds (distance) C4'-P energy: -91.761
bonds (distance) P-C4' energy: -77.833
flat angles C4'-P-C4' energy: -106.640
flat angles P-C4'-P energy: -76.826
tors. eta vs tors. theta energy: -129.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1536.769915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.769915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.769915 (E_RNA)
where:
Base-Base interactions energy: -1058.637
where: short stacking energy: -442.980
Base-Backbone interact. energy: -2.548
local terms energy: -475.584467
where:
bonds (distance) C4'-P energy: -72.866
bonds (distance) P-C4' energy: -89.447
flat angles C4'-P-C4' energy: -110.178
flat angles P-C4'-P energy: -77.394
tors. eta vs tors. theta energy: -125.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1416.240144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.240144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.240144 (E_RNA)
where:
Base-Base interactions energy: -971.909
where: short stacking energy: -410.607
Base-Backbone interact. energy: 1.140
local terms energy: -445.471924
where:
bonds (distance) C4'-P energy: -84.437
bonds (distance) P-C4' energy: -98.085
flat angles C4'-P-C4' energy: -91.676
flat angles P-C4'-P energy: -62.142
tors. eta vs tors. theta energy: -109.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1230.665742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.665742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.665742 (E_RNA)
where:
Base-Base interactions energy: -839.700
where: short stacking energy: -342.805
Base-Backbone interact. energy: -1.548
local terms energy: -389.417498
where:
bonds (distance) C4'-P energy: -69.286
bonds (distance) P-C4' energy: -82.742
flat angles C4'-P-C4' energy: -81.145
flat angles P-C4'-P energy: -62.928
tors. eta vs tors. theta energy: -93.316
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: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1040.522326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.522326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.522326 (E_RNA)
where:
Base-Base interactions energy: -711.935
where: short stacking energy: -302.625
Base-Backbone interact. energy: 2.880
local terms energy: -331.467686
where:
bonds (distance) C4'-P energy: -84.112
bonds (distance) P-C4' energy: -81.833
flat angles C4'-P-C4' energy: -68.646
flat angles P-C4'-P energy: -45.163
tors. eta vs tors. theta energy: -51.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -908.690335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.690335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.690335 (E_RNA)
where:
Base-Base interactions energy: -563.629
where: short stacking energy: -243.128
Base-Backbone interact. energy: -1.396
local terms energy: -343.665055
where:
bonds (distance) C4'-P energy: -73.966
bonds (distance) P-C4' energy: -94.194
flat angles C4'-P-C4' energy: -88.737
flat angles P-C4'-P energy: -47.895
tors. eta vs tors. theta energy: -38.873
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: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1876.266199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.266199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.266199 (E_RNA)
where:
Base-Base interactions energy: -1319.330
where: short stacking energy: -567.916
Base-Backbone interact. energy: -2.347
local terms energy: -554.588892
where:
bonds (distance) C4'-P energy: -93.624
bonds (distance) P-C4' energy: -101.569
flat angles C4'-P-C4' energy: -116.198
flat angles P-C4'-P energy: -84.226
tors. eta vs tors. theta energy: -158.971
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: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1824.269635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.269635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.269635 (E_RNA)
where:
Base-Base interactions energy: -1278.482
where: short stacking energy: -545.704
Base-Backbone interact. energy: -0.243
local terms energy: -545.544059
where:
bonds (distance) C4'-P energy: -102.926
bonds (distance) P-C4' energy: -99.989
flat angles C4'-P-C4' energy: -106.873
flat angles P-C4'-P energy: -79.194
tors. eta vs tors. theta energy: -156.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1757.708161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.708161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.708161 (E_RNA)
where:
Base-Base interactions energy: -1224.762
where: short stacking energy: -504.072
Base-Backbone interact. energy: -4.843
local terms energy: -528.102932
where:
bonds (distance) C4'-P energy: -90.611
bonds (distance) P-C4' energy: -98.063
flat angles C4'-P-C4' energy: -112.520
flat angles P-C4'-P energy: -78.378
tors. eta vs tors. theta energy: -148.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1734.987669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.987669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.987669 (E_RNA)
where:
Base-Base interactions energy: -1222.652
where: short stacking energy: -529.926
Base-Backbone interact. energy: -0.587
local terms energy: -511.749325
where:
bonds (distance) C4'-P energy: -87.878
bonds (distance) P-C4' energy: -86.502
flat angles C4'-P-C4' energy: -106.724
flat angles P-C4'-P energy: -78.638
tors. eta vs tors. theta energy: -152.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1583.236399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.236399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.236399 (E_RNA)
where:
Base-Base interactions energy: -1110.332
where: short stacking energy: -453.297
Base-Backbone interact. energy: -0.682
local terms energy: -472.222606
where:
bonds (distance) C4'-P energy: -87.419
bonds (distance) P-C4' energy: -83.845
flat angles C4'-P-C4' energy: -108.362
flat angles P-C4'-P energy: -59.609
tors. eta vs tors. theta energy: -132.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1469.699211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.699211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.699211 (E_RNA)
where:
Base-Base interactions energy: -1012.602
where: short stacking energy: -412.726
Base-Backbone interact. energy: -1.653
local terms energy: -455.444900
where:
bonds (distance) C4'-P energy: -80.350
bonds (distance) P-C4' energy: -81.721
flat angles C4'-P-C4' energy: -106.842
flat angles P-C4'-P energy: -71.832
tors. eta vs tors. theta energy: -114.699
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: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1405.486550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.486550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.486550 (E_RNA)
where:
Base-Base interactions energy: -993.223
where: short stacking energy: -423.198
Base-Backbone interact. energy: -0.703
local terms energy: -411.561200
where:
bonds (distance) C4'-P energy: -67.072
bonds (distance) P-C4' energy: -76.427
flat angles C4'-P-C4' energy: -97.593
flat angles P-C4'-P energy: -55.391
tors. eta vs tors. theta energy: -115.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1214.119308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.119308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.119308 (E_RNA)
where:
Base-Base interactions energy: -833.443
where: short stacking energy: -361.960
Base-Backbone interact. energy: -1.591
local terms energy: -379.085214
where:
bonds (distance) C4'-P energy: -70.851
bonds (distance) P-C4' energy: -73.957
flat angles C4'-P-C4' energy: -91.684
flat angles P-C4'-P energy: -50.232
tors. eta vs tors. theta energy: -92.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1056.006829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.006829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.006829 (E_RNA)
where:
Base-Base interactions energy: -698.521
where: short stacking energy: -307.902
Base-Backbone interact. energy: -0.837
local terms energy: -356.649443
where:
bonds (distance) C4'-P energy: -68.162
bonds (distance) P-C4' energy: -84.059
flat angles C4'-P-C4' energy: -100.480
flat angles P-C4'-P energy: -41.113
tors. eta vs tors. theta energy: -62.836
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: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -925.342692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.342692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.342692 (E_RNA)
where:
Base-Base interactions energy: -601.616
where: short stacking energy: -263.949
Base-Backbone interact. energy: -3.179
local terms energy: -320.547099
where:
bonds (distance) C4'-P energy: -70.791
bonds (distance) P-C4' energy: -64.978
flat angles C4'-P-C4' energy: -73.664
flat angles P-C4'-P energy: -62.289
tors. eta vs tors. theta energy: -48.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1857.836047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.836047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.836047 (E_RNA)
where:
Base-Base interactions energy: -1326.276
where: short stacking energy: -546.844
Base-Backbone interact. energy: -1.172
local terms energy: -530.387464
where:
bonds (distance) C4'-P energy: -93.128
bonds (distance) P-C4' energy: -92.955
flat angles C4'-P-C4' energy: -106.528
flat angles P-C4'-P energy: -80.857
tors. eta vs tors. theta energy: -156.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1805.463308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.463308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.463308 (E_RNA)
where:
Base-Base interactions energy: -1262.556
where: short stacking energy: -535.827
Base-Backbone interact. energy: -3.725
local terms energy: -539.182030
where:
bonds (distance) C4'-P energy: -88.158
bonds (distance) P-C4' energy: -106.714
flat angles C4'-P-C4' energy: -113.011
flat angles P-C4'-P energy: -71.702
tors. eta vs tors. theta energy: -159.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1759.384430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.384430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.384430 (E_RNA)
where:
Base-Base interactions energy: -1244.960
where: short stacking energy: -514.885
Base-Backbone interact. energy: -0.556
local terms energy: -513.867889
where:
bonds (distance) C4'-P energy: -89.899
bonds (distance) P-C4' energy: -92.898
flat angles C4'-P-C4' energy: -104.885
flat angles P-C4'-P energy: -74.857
tors. eta vs tors. theta energy: -151.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1740.135647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.135647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.135647 (E_RNA)
where:
Base-Base interactions energy: -1214.733
where: short stacking energy: -506.433
Base-Backbone interact. energy: -1.153
local terms energy: -524.249045
where:
bonds (distance) C4'-P energy: -81.795
bonds (distance) P-C4' energy: -92.911
flat angles C4'-P-C4' energy: -109.525
flat angles P-C4'-P energy: -83.990
tors. eta vs tors. theta energy: -156.027
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: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1620.004290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.004290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.004290 (E_RNA)
where:
Base-Base interactions energy: -1128.835
where: short stacking energy: -480.291
Base-Backbone interact. energy: 1.335
local terms energy: -492.503882
where:
bonds (distance) C4'-P energy: -97.325
bonds (distance) P-C4' energy: -95.443
flat angles C4'-P-C4' energy: -96.348
flat angles P-C4'-P energy: -60.304
tors. eta vs tors. theta energy: -143.083
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: 276
Temperature: 1.150000
Total energy: -1463.483233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.483233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.483233 (E_RNA)
where:
Base-Base interactions energy: -1007.709
where: short stacking energy: -426.421
Base-Backbone interact. energy: 0.566
local terms energy: -456.339891
where:
bonds (distance) C4'-P energy: -92.694
bonds (distance) P-C4' energy: -92.929
flat angles C4'-P-C4' energy: -95.047
flat angles P-C4'-P energy: -55.410
tors. eta vs tors. theta energy: -120.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1425.479571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.479571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.479571 (E_RNA)
where:
Base-Base interactions energy: -995.048
where: short stacking energy: -392.922
Base-Backbone interact. energy: -2.045
local terms energy: -428.387229
where:
bonds (distance) C4'-P energy: -68.330
bonds (distance) P-C4' energy: -90.092
flat angles C4'-P-C4' energy: -98.406
flat angles P-C4'-P energy: -63.572
tors. eta vs tors. theta energy: -107.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1276.148843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.148843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.148843 (E_RNA)
where:
Base-Base interactions energy: -872.123
where: short stacking energy: -362.754
Base-Backbone interact. energy: -2.735
local terms energy: -401.291307
where:
bonds (distance) C4'-P energy: -79.502
bonds (distance) P-C4' energy: -87.418
flat angles C4'-P-C4' energy: -93.481
flat angles P-C4'-P energy: -53.801
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: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1009.718917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.718917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.718917 (E_RNA)
where:
Base-Base interactions energy: -686.838
where: short stacking energy: -322.016
Base-Backbone interact. energy: -4.477
local terms energy: -318.404244
where:
bonds (distance) C4'-P energy: -70.573
bonds (distance) P-C4' energy: -81.445
flat angles C4'-P-C4' energy: -77.901
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -49.134
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: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -978.861574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.861574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.861574 (E_RNA)
where:
Base-Base interactions energy: -636.437
where: short stacking energy: -279.034
Base-Backbone interact. energy: 1.098
local terms energy: -343.522961
where:
bonds (distance) C4'-P energy: -82.961
bonds (distance) P-C4' energy: -77.966
flat angles C4'-P-C4' energy: -79.254
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: -56.961
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: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1836.758737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.758737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.758737 (E_RNA)
where:
Base-Base interactions energy: -1304.047
where: short stacking energy: -523.668
Base-Backbone interact. energy: -3.976
local terms energy: -528.735290
where:
bonds (distance) C4'-P energy: -88.644
bonds (distance) P-C4' energy: -90.341
flat angles C4'-P-C4' energy: -122.818
flat angles P-C4'-P energy: -73.187
tors. eta vs tors. theta energy: -153.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1827.853485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.853485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.853485 (E_RNA)
where:
Base-Base interactions energy: -1281.221
where: short stacking energy: -520.756
Base-Backbone interact. energy: -0.678
local terms energy: -545.954232
where:
bonds (distance) C4'-P energy: -103.874
bonds (distance) P-C4' energy: -85.720
flat angles C4'-P-C4' energy: -110.011
flat angles P-C4'-P energy: -87.016
tors. eta vs tors. theta energy: -159.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1740.714340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.714340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.714340 (E_RNA)
where:
Base-Base interactions energy: -1231.653
where: short stacking energy: -516.281
Base-Backbone interact. energy: -1.242
local terms energy: -507.819102
where:
bonds (distance) C4'-P energy: -94.046
bonds (distance) P-C4' energy: -89.264
flat angles C4'-P-C4' energy: -100.433
flat angles P-C4'-P energy: -76.635
tors. eta vs tors. theta energy: -147.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1742.146042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.146042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.146042 (E_RNA)
where:
Base-Base interactions energy: -1234.441
where: short stacking energy: -509.879
Base-Backbone interact. energy: -2.234
local terms energy: -505.470964
where:
bonds (distance) C4'-P energy: -81.378
bonds (distance) P-C4' energy: -96.067
flat angles C4'-P-C4' energy: -106.980
flat angles P-C4'-P energy: -69.407
tors. eta vs tors. theta energy: -151.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1638.717991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.717991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.717991 (E_RNA)
where:
Base-Base interactions energy: -1157.052
where: short stacking energy: -497.819
Base-Backbone interact. energy: -1.984
local terms energy: -479.681341
where:
bonds (distance) C4'-P energy: -91.295
bonds (distance) P-C4' energy: -85.071
flat angles C4'-P-C4' energy: -97.233
flat angles P-C4'-P energy: -64.597
tors. eta vs tors. theta energy: -141.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1477.133265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.133265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.133265 (E_RNA)
where:
Base-Base interactions energy: -1041.585
where: short stacking energy: -424.660
Base-Backbone interact. energy: -0.013
local terms energy: -435.535296
where:
bonds (distance) C4'-P energy: -73.251
bonds (distance) P-C4' energy: -77.593
flat angles C4'-P-C4' energy: -100.471
flat angles P-C4'-P energy: -65.619
tors. eta vs tors. theta energy: -118.602
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: 277
Temperature: 1.200000
Total energy: -1459.281949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.281949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.281949 (E_RNA)
where:
Base-Base interactions energy: -1022.563
where: short stacking energy: -418.302
Base-Backbone interact. energy: -1.974
local terms energy: -434.745566
where:
bonds (distance) C4'-P energy: -79.554
bonds (distance) P-C4' energy: -83.450
flat angles C4'-P-C4' energy: -94.892
flat angles P-C4'-P energy: -55.413
tors. eta vs tors. theta energy: -121.436
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: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1263.215038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.215038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.215038 (E_RNA)
where:
Base-Base interactions energy: -859.318
where: short stacking energy: -370.275
Base-Backbone interact. energy: -1.999
local terms energy: -401.898655
where:
bonds (distance) C4'-P energy: -71.185
bonds (distance) P-C4' energy: -85.140
flat angles C4'-P-C4' energy: -97.316
flat angles P-C4'-P energy: -60.722
tors. eta vs tors. theta energy: -87.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1004.857605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.857605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.857605 (E_RNA)
where:
Base-Base interactions energy: -671.352
where: short stacking energy: -303.242
Base-Backbone interact. energy: 1.672
local terms energy: -335.177537
where:
bonds (distance) C4'-P energy: -76.430
bonds (distance) P-C4' energy: -77.839
flat angles C4'-P-C4' energy: -71.710
flat angles P-C4'-P energy: -43.858
tors. eta vs tors. theta energy: -65.340
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: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -908.382992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.382992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.382992 (E_RNA)
where:
Base-Base interactions energy: -578.138
where: short stacking energy: -255.171
Base-Backbone interact. energy: -3.597
local terms energy: -326.647408
where:
bonds (distance) C4'-P energy: -83.155
bonds (distance) P-C4' energy: -83.413
flat angles C4'-P-C4' energy: -69.357
flat angles P-C4'-P energy: -60.934
tors. eta vs tors. theta energy: -29.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1834.183234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.183234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.183234 (E_RNA)
where:
Base-Base interactions energy: -1296.283
where: short stacking energy: -547.760
Base-Backbone interact. energy: -2.350
local terms energy: -535.549994
where:
bonds (distance) C4'-P energy: -98.292
bonds (distance) P-C4' energy: -89.908
flat angles C4'-P-C4' energy: -108.651
flat angles P-C4'-P energy: -77.371
tors. eta vs tors. theta energy: -161.328
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: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1826.246781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.246781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.246781 (E_RNA)
where:
Base-Base interactions energy: -1299.069
where: short stacking energy: -552.587
Base-Backbone interact. energy: -4.519
local terms energy: -522.658615
where:
bonds (distance) C4'-P energy: -87.696
bonds (distance) P-C4' energy: -94.823
flat angles C4'-P-C4' energy: -108.543
flat angles P-C4'-P energy: -76.617
tors. eta vs tors. theta energy: -154.978
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: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1779.536600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.536600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.536600 (E_RNA)
where:
Base-Base interactions energy: -1269.946
where: short stacking energy: -533.441
Base-Backbone interact. energy: -2.141
local terms energy: -507.449749
where:
bonds (distance) C4'-P energy: -83.915
bonds (distance) P-C4' energy: -87.852
flat angles C4'-P-C4' energy: -104.528
flat angles P-C4'-P energy: -79.528
tors. eta vs tors. theta energy: -151.627
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: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1712.830602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.830602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.830602 (E_RNA)
where:
Base-Base interactions energy: -1213.622
where: short stacking energy: -497.978
Base-Backbone interact. energy: -2.508
local terms energy: -496.700549
where:
bonds (distance) C4'-P energy: -80.121
bonds (distance) P-C4' energy: -82.846
flat angles C4'-P-C4' energy: -105.933
flat angles P-C4'-P energy: -81.403
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: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1647.261544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.261544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.261544 (E_RNA)
where:
Base-Base interactions energy: -1159.843
where: short stacking energy: -493.213
Base-Backbone interact. energy: 0.865
local terms energy: -488.283385
where:
bonds (distance) C4'-P energy: -92.010
bonds (distance) P-C4' energy: -96.109
flat angles C4'-P-C4' energy: -103.149
flat angles P-C4'-P energy: -57.015
tors. eta vs tors. theta energy: -140.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1487.969858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.969858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.969858 (E_RNA)
where:
Base-Base interactions energy: -1039.911
where: short stacking energy: -432.500
Base-Backbone interact. energy: -1.996
local terms energy: -446.063183
where:
bonds (distance) C4'-P energy: -83.439
bonds (distance) P-C4' energy: -91.830
flat angles C4'-P-C4' energy: -95.266
flat angles P-C4'-P energy: -62.850
tors. eta vs tors. theta energy: -112.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1495.401028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.401028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.401028 (E_RNA)
where:
Base-Base interactions energy: -1057.877
where: short stacking energy: -428.768
Base-Backbone interact. energy: -1.105
local terms energy: -436.419515
where:
bonds (distance) C4'-P energy: -69.365
bonds (distance) P-C4' energy: -77.970
flat angles C4'-P-C4' energy: -102.151
flat angles P-C4'-P energy: -68.789
tors. eta vs tors. theta energy: -118.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1232.113029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.113029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.113029 (E_RNA)
where:
Base-Base interactions energy: -849.190
where: short stacking energy: -348.484
Base-Backbone interact. energy: 0.057
local terms energy: -382.980412
where:
bonds (distance) C4'-P energy: -69.068
bonds (distance) P-C4' energy: -76.978
flat angles C4'-P-C4' energy: -83.816
flat angles P-C4'-P energy: -73.471
tors. eta vs tors. theta energy: -79.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -942.092320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.092320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.092320 (E_RNA)
where:
Base-Base interactions energy: -578.666
where: short stacking energy: -266.112
Base-Backbone interact. energy: -4.816
local terms energy: -358.610000
where:
bonds (distance) C4'-P energy: -91.867
bonds (distance) P-C4' energy: -85.008
flat angles C4'-P-C4' energy: -74.757
flat angles P-C4'-P energy: -50.781
tors. eta vs tors. theta energy: -56.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -839.909185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.909185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.909185 (E_RNA)
where:
Base-Base interactions energy: -522.752
where: short stacking energy: -225.886
Base-Backbone interact. energy: 0.023
local terms energy: -317.180733
where:
bonds (distance) C4'-P energy: -68.258
bonds (distance) P-C4' energy: -86.388
flat angles C4'-P-C4' energy: -75.840
flat angles P-C4'-P energy: -51.113
tors. eta vs tors. theta energy: -35.581
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: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1826.489376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.489376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.489376 (E_RNA)
where:
Base-Base interactions energy: -1294.754
where: short stacking energy: -542.802
Base-Backbone interact. energy: -1.270
local terms energy: -530.465136
where:
bonds (distance) C4'-P energy: -97.553
bonds (distance) P-C4' energy: -87.279
flat angles C4'-P-C4' energy: -110.469
flat angles P-C4'-P energy: -76.278
tors. eta vs tors. theta energy: -158.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1804.712330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.712330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.712330 (E_RNA)
where:
Base-Base interactions energy: -1260.394
where: short stacking energy: -519.191
Base-Backbone interact. energy: -2.493
local terms energy: -541.824900
where:
bonds (distance) C4'-P energy: -92.437
bonds (distance) P-C4' energy: -102.125
flat angles C4'-P-C4' energy: -112.066
flat angles P-C4'-P energy: -75.700
tors. eta vs tors. theta energy: -159.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1795.393895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.393895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.393895 (E_RNA)
where:
Base-Base interactions energy: -1256.161
where: short stacking energy: -531.008
Base-Backbone interact. energy: -2.409
local terms energy: -536.823889
where:
bonds (distance) C4'-P energy: -94.923
bonds (distance) P-C4' energy: -94.574
flat angles C4'-P-C4' energy: -115.587
flat angles P-C4'-P energy: -77.157
tors. eta vs tors. theta energy: -154.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1679.450698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.450698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.450698 (E_RNA)
where:
Base-Base interactions energy: -1181.313
where: short stacking energy: -492.761
Base-Backbone interact. energy: -0.819
local terms energy: -497.318390
where:
bonds (distance) C4'-P energy: -98.516
bonds (distance) P-C4' energy: -85.678
flat angles C4'-P-C4' energy: -103.825
flat angles P-C4'-P energy: -64.677
tors. eta vs tors. theta energy: -144.623
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: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1660.811470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.811470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.811470 (E_RNA)
where:
Base-Base interactions energy: -1177.891
where: short stacking energy: -489.204
Base-Backbone interact. energy: -1.640
local terms energy: -481.280030
where:
bonds (distance) C4'-P energy: -83.296
bonds (distance) P-C4' energy: -96.044
flat angles C4'-P-C4' energy: -95.415
flat angles P-C4'-P energy: -55.497
tors. eta vs tors. theta energy: -151.028
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: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1547.721745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.721745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.721745 (E_RNA)
where:
Base-Base interactions energy: -1081.098
where: short stacking energy: -446.779
Base-Backbone interact. energy: 1.258
local terms energy: -467.882279
where:
bonds (distance) C4'-P energy: -81.273
bonds (distance) P-C4' energy: -95.262
flat angles C4'-P-C4' energy: -96.494
flat angles P-C4'-P energy: -65.687
tors. eta vs tors. theta energy: -129.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1476.274619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.274619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.274619 (E_RNA)
where:
Base-Base interactions energy: -1030.733
where: short stacking energy: -428.267
Base-Backbone interact. energy: 0.908
local terms energy: -446.449145
where:
bonds (distance) C4'-P energy: -96.753
bonds (distance) P-C4' energy: -68.762
flat angles C4'-P-C4' energy: -109.625
flat angles P-C4'-P energy: -53.164
tors. eta vs tors. theta energy: -118.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1251.921445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.921445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.921445 (E_RNA)
where:
Base-Base interactions energy: -850.638
where: short stacking energy: -388.494
Base-Backbone interact. energy: -1.901
local terms energy: -399.382688
where:
bonds (distance) C4'-P energy: -66.473
bonds (distance) P-C4' energy: -89.154
flat angles C4'-P-C4' energy: -88.020
flat angles P-C4'-P energy: -47.835
tors. eta vs tors. theta energy: -107.902
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: 9, replica: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -921.895153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.895153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.895153 (E_RNA)
where:
Base-Base interactions energy: -580.557
where: short stacking energy: -266.840
Base-Backbone interact. energy: -1.847
local terms energy: -339.490632
where:
bonds (distance) C4'-P energy: -100.243
bonds (distance) P-C4' energy: -63.787
flat angles C4'-P-C4' energy: -84.507
flat angles P-C4'-P energy: -44.816
tors. eta vs tors. theta energy: -46.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -890.881549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.881549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.881549 (E_RNA)
where:
Base-Base interactions energy: -547.759
where: short stacking energy: -223.491
Base-Backbone interact. energy: -2.349
local terms energy: -340.773679
where:
bonds (distance) C4'-P energy: -87.052
bonds (distance) P-C4' energy: -84.560
flat angles C4'-P-C4' energy: -73.620
flat angles P-C4'-P energy: -53.363
tors. eta vs tors. theta energy: -42.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1864.382961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.382961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.382961 (E_RNA)
where:
Base-Base interactions energy: -1333.687
where: short stacking energy: -548.393
Base-Backbone interact. energy: -4.185
local terms energy: -526.510702
where:
bonds (distance) C4'-P energy: -83.468
bonds (distance) P-C4' energy: -95.027
flat angles C4'-P-C4' energy: -111.635
flat angles P-C4'-P energy: -84.114
tors. eta vs tors. theta energy: -152.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1760.749203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.749203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.749203 (E_RNA)
where:
Base-Base interactions energy: -1229.515
where: short stacking energy: -535.931
Base-Backbone interact. energy: -0.940
local terms energy: -530.294151
where:
bonds (distance) C4'-P energy: -85.521
bonds (distance) P-C4' energy: -95.520
flat angles C4'-P-C4' energy: -113.491
flat angles P-C4'-P energy: -79.030
tors. eta vs tors. theta energy: -156.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1773.172921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.172921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.172921 (E_RNA)
where:
Base-Base interactions energy: -1241.057
where: short stacking energy: -530.612
Base-Backbone interact. energy: 0.371
local terms energy: -532.487058
where:
bonds (distance) C4'-P energy: -100.399
bonds (distance) P-C4' energy: -90.190
flat angles C4'-P-C4' energy: -109.702
flat angles P-C4'-P energy: -73.441
tors. eta vs tors. theta energy: -158.756
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: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1687.152660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.152660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.152660 (E_RNA)
where:
Base-Base interactions energy: -1193.424
where: short stacking energy: -497.429
Base-Backbone interact. energy: -1.489
local terms energy: -492.239720
where:
bonds (distance) C4'-P energy: -79.618
bonds (distance) P-C4' energy: -82.194
flat angles C4'-P-C4' energy: -108.233
flat angles P-C4'-P energy: -67.118
tors. eta vs tors. theta energy: -155.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1685.517687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.517687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.517687 (E_RNA)
where:
Base-Base interactions energy: -1161.741
where: short stacking energy: -473.727
Base-Backbone interact. energy: -0.701
local terms energy: -523.075541
where:
bonds (distance) C4'-P energy: -96.748
bonds (distance) P-C4' energy: -98.947
flat angles C4'-P-C4' energy: -111.748
flat angles P-C4'-P energy: -76.493
tors. eta vs tors. theta energy: -139.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1566.134285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.134285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.134285 (E_RNA)
where:
Base-Base interactions energy: -1088.997
where: short stacking energy: -445.627
Base-Backbone interact. energy: 0.470
local terms energy: -477.607108
where:
bonds (distance) C4'-P energy: -80.435
bonds (distance) P-C4' energy: -99.754
flat angles C4'-P-C4' energy: -94.330
flat angles P-C4'-P energy: -71.178
tors. eta vs tors. theta energy: -131.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1447.890008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.890008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.890008 (E_RNA)
where:
Base-Base interactions energy: -1004.778
where: short stacking energy: -432.140
Base-Backbone interact. energy: -0.761
local terms energy: -442.350958
where:
bonds (distance) C4'-P energy: -72.624
bonds (distance) P-C4' energy: -82.109
flat angles C4'-P-C4' energy: -103.434
flat angles P-C4'-P energy: -66.045
tors. eta vs tors. theta energy: -118.140
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: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1206.410363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.410363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.410363 (E_RNA)
where:
Base-Base interactions energy: -816.747
where: short stacking energy: -338.964
Base-Backbone interact. energy: -0.313
local terms energy: -389.349649
where:
bonds (distance) C4'-P energy: -67.251
bonds (distance) P-C4' energy: -93.658
flat angles C4'-P-C4' energy: -90.542
flat angles P-C4'-P energy: -62.885
tors. eta vs tors. theta energy: -75.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -903.124611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.124611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.124611 (E_RNA)
where:
Base-Base interactions energy: -576.315
where: short stacking energy: -255.578
Base-Backbone interact. energy: -1.064
local terms energy: -325.745573
where:
bonds (distance) C4'-P energy: -62.381
bonds (distance) P-C4' energy: -86.891
flat angles C4'-P-C4' energy: -63.744
flat angles P-C4'-P energy: -65.947
tors. eta vs tors. theta energy: -46.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -876.825675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.825675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.825675 (E_RNA)
where:
Base-Base interactions energy: -567.469
where: short stacking energy: -225.705
Base-Backbone interact. energy: -1.665
local terms energy: -307.691566
where:
bonds (distance) C4'-P energy: -79.496
bonds (distance) P-C4' energy: -83.389
flat angles C4'-P-C4' energy: -74.136
flat angles P-C4'-P energy: -39.878
tors. eta vs tors. theta energy: -30.792
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: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1866.913087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.913087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.913087 (E_RNA)
where:
Base-Base interactions energy: -1312.407
where: short stacking energy: -521.820
Base-Backbone interact. energy: -4.185
local terms energy: -550.320701
where:
bonds (distance) C4'-P energy: -100.155
bonds (distance) P-C4' energy: -101.815
flat angles C4'-P-C4' energy: -114.222
flat angles P-C4'-P energy: -82.173
tors. eta vs tors. theta energy: -151.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1769.545309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.545309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.545309 (E_RNA)
where:
Base-Base interactions energy: -1225.897
where: short stacking energy: -521.632
Base-Backbone interact. energy: -1.413
local terms energy: -542.234897
where:
bonds (distance) C4'-P energy: -92.338
bonds (distance) P-C4' energy: -100.638
flat angles C4'-P-C4' energy: -117.497
flat angles P-C4'-P energy: -77.096
tors. eta vs tors. theta energy: -154.667
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: 7
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1767.194210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.194210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.194210 (E_RNA)
where:
Base-Base interactions energy: -1255.234
where: short stacking energy: -525.252
Base-Backbone interact. energy: -2.004
local terms energy: -509.956485
where:
bonds (distance) C4'-P energy: -85.791
bonds (distance) P-C4' energy: -86.655
flat angles C4'-P-C4' energy: -105.427
flat angles P-C4'-P energy: -72.328
tors. eta vs tors. theta energy: -159.755
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: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1693.593780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.593780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.593780 (E_RNA)
where:
Base-Base interactions energy: -1182.046
where: short stacking energy: -487.257
Base-Backbone interact. energy: -2.013
local terms energy: -509.534640
where:
bonds (distance) C4'-P energy: -94.195
bonds (distance) P-C4' energy: -90.242
flat angles C4'-P-C4' energy: -104.379
flat angles P-C4'-P energy: -81.519
tors. eta vs tors. theta energy: -139.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1710.298448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.298448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.298448 (E_RNA)
where:
Base-Base interactions energy: -1205.150
where: short stacking energy: -497.839
Base-Backbone interact. energy: 0.474
local terms energy: -505.622438
where:
bonds (distance) C4'-P energy: -76.190
bonds (distance) P-C4' energy: -93.469
flat angles C4'-P-C4' energy: -111.409
flat angles P-C4'-P energy: -75.392
tors. eta vs tors. theta energy: -149.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1544.974696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.974696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.974696 (E_RNA)
where:
Base-Base interactions energy: -1082.089
where: short stacking energy: -441.244
Base-Backbone interact. energy: -1.554
local terms energy: -461.331603
where:
bonds (distance) C4'-P energy: -76.613
bonds (distance) P-C4' energy: -83.160
flat angles C4'-P-C4' energy: -98.681
flat angles P-C4'-P energy: -73.636
tors. eta vs tors. theta energy: -129.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1472.135046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.135046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.135046 (E_RNA)
where:
Base-Base interactions energy: -1034.976
where: short stacking energy: -415.489
Base-Backbone interact. energy: -2.431
local terms energy: -434.728876
where:
bonds (distance) C4'-P energy: -81.833
bonds (distance) P-C4' energy: -85.740
flat angles C4'-P-C4' energy: -93.966
flat angles P-C4'-P energy: -58.622
tors. eta vs tors. theta energy: -114.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1317.442451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.442451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.442451 (E_RNA)
where:
Base-Base interactions energy: -937.302
where: short stacking energy: -369.918
Base-Backbone interact. energy: -3.993
local terms energy: -376.146722
where:
bonds (distance) C4'-P energy: -70.459
bonds (distance) P-C4' energy: -68.913
flat angles C4'-P-C4' energy: -86.480
flat angles P-C4'-P energy: -56.903
tors. eta vs tors. theta energy: -93.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -897.864353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.864353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.864353 (E_RNA)
where:
Base-Base interactions energy: -567.865
where: short stacking energy: -259.638
Base-Backbone interact. energy: -2.100
local terms energy: -327.899727
where:
bonds (distance) C4'-P energy: -67.382
bonds (distance) P-C4' energy: -83.861
flat angles C4'-P-C4' energy: -82.577
flat angles P-C4'-P energy: -41.890
tors. eta vs tors. theta energy: -52.191
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: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -961.260669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.260669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.260669 (E_RNA)
where:
Base-Base interactions energy: -621.730
where: short stacking energy: -281.713
Base-Backbone interact. energy: 3.210
local terms energy: -342.740913
where:
bonds (distance) C4'-P energy: -78.162
bonds (distance) P-C4' energy: -80.939
flat angles C4'-P-C4' energy: -88.852
flat angles P-C4'-P energy: -39.888
tors. eta vs tors. theta energy: -54.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1869.727486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.727486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.727486 (E_RNA)
where:
Base-Base interactions energy: -1329.435
where: short stacking energy: -554.495
Base-Backbone interact. energy: -3.575
local terms energy: -536.717272
where:
bonds (distance) C4'-P energy: -96.323
bonds (distance) P-C4' energy: -98.639
flat angles C4'-P-C4' energy: -108.904
flat angles P-C4'-P energy: -77.672
tors. eta vs tors. theta energy: -155.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1770.430826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.430826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.430826 (E_RNA)
where:
Base-Base interactions energy: -1223.832
where: short stacking energy: -512.784
Base-Backbone interact. energy: -3.211
local terms energy: -543.387206
where:
bonds (distance) C4'-P energy: -102.240
bonds (distance) P-C4' energy: -99.751
flat angles C4'-P-C4' energy: -107.965
flat angles P-C4'-P energy: -80.102
tors. eta vs tors. theta energy: -153.330
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: 3, replica: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1758.890797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.890797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.890797 (E_RNA)
where:
Base-Base interactions energy: -1224.707
where: short stacking energy: -529.992
Base-Backbone interact. energy: -0.680
local terms energy: -533.503440
where:
bonds (distance) C4'-P energy: -97.343
bonds (distance) P-C4' energy: -89.603
flat angles C4'-P-C4' energy: -108.866
flat angles P-C4'-P energy: -75.883
tors. eta vs tors. theta energy: -161.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1705.827673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.827673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.827673 (E_RNA)
where:
Base-Base interactions energy: -1204.646
where: short stacking energy: -481.191
Base-Backbone interact. energy: -2.657
local terms energy: -498.524683
where:
bonds (distance) C4'-P energy: -78.950
bonds (distance) P-C4' energy: -84.684
flat angles C4'-P-C4' energy: -110.151
flat angles P-C4'-P energy: -80.698
tors. eta vs tors. theta energy: -144.042
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: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1687.339921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.339921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.339921 (E_RNA)
where:
Base-Base interactions energy: -1180.006
where: short stacking energy: -516.414
Base-Backbone interact. energy: -1.718
local terms energy: -505.616444
where:
bonds (distance) C4'-P energy: -82.317
bonds (distance) P-C4' energy: -106.515
flat angles C4'-P-C4' energy: -113.787
flat angles P-C4'-P energy: -55.502
tors. eta vs tors. theta energy: -147.495
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: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1537.086511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.086511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.086511 (E_RNA)
where:
Base-Base interactions energy: -1073.160
where: short stacking energy: -461.415
Base-Backbone interact. energy: -3.169
local terms energy: -460.757116
where:
bonds (distance) C4'-P energy: -79.531
bonds (distance) P-C4' energy: -95.766
flat angles C4'-P-C4' energy: -97.464
flat angles P-C4'-P energy: -63.474
tors. eta vs tors. theta energy: -124.523
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: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1423.331163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.331163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.331163 (E_RNA)
where:
Base-Base interactions energy: -995.991
where: short stacking energy: -404.575
Base-Backbone interact. energy: -2.084
local terms energy: -425.256324
where:
bonds (distance) C4'-P energy: -69.872
bonds (distance) P-C4' energy: -91.400
flat angles C4'-P-C4' energy: -100.860
flat angles P-C4'-P energy: -55.570
tors. eta vs tors. theta energy: -107.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1382.405072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.405072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.405072 (E_RNA)
where:
Base-Base interactions energy: -955.904
where: short stacking energy: -382.061
Base-Backbone interact. energy: -2.461
local terms energy: -424.040767
where:
bonds (distance) C4'-P energy: -83.447
bonds (distance) P-C4' energy: -81.913
flat angles C4'-P-C4' energy: -93.775
flat angles P-C4'-P energy: -62.937
tors. eta vs tors. theta energy: -101.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -1065.169365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.169365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.169365 (E_RNA)
where:
Base-Base interactions energy: -698.919
where: short stacking energy: -297.508
Base-Backbone interact. energy: 0.072
local terms energy: -366.322753
where:
bonds (distance) C4'-P energy: -93.622
bonds (distance) P-C4' energy: -79.759
flat angles C4'-P-C4' energy: -88.989
flat angles P-C4'-P energy: -37.532
tors. eta vs tors. theta energy: -66.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -916.716952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.716952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.716952 (E_RNA)
where:
Base-Base interactions energy: -584.721
where: short stacking energy: -262.938
Base-Backbone interact. energy: -0.566
local terms energy: -331.429489
where:
bonds (distance) C4'-P energy: -72.654
bonds (distance) P-C4' energy: -77.031
flat angles C4'-P-C4' energy: -68.470
flat angles P-C4'-P energy: -62.037
tors. eta vs tors. theta energy: -51.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1845.582421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.582421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.582421 (E_RNA)
where:
Base-Base interactions energy: -1307.181
where: short stacking energy: -532.443
Base-Backbone interact. energy: 1.011
local terms energy: -539.412151
where:
bonds (distance) C4'-P energy: -97.374
bonds (distance) P-C4' energy: -88.170
flat angles C4'-P-C4' energy: -111.197
flat angles P-C4'-P energy: -94.708
tors. eta vs tors. theta energy: -147.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1787.687754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.687754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.687754 (E_RNA)
where:
Base-Base interactions energy: -1262.053
where: short stacking energy: -510.582
Base-Backbone interact. energy: 0.336
local terms energy: -525.970483
where:
bonds (distance) C4'-P energy: -86.254
bonds (distance) P-C4' energy: -99.013
flat angles C4'-P-C4' energy: -108.988
flat angles P-C4'-P energy: -82.543
tors. eta vs tors. theta energy: -149.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1730.206766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.206766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.206766 (E_RNA)
where:
Base-Base interactions energy: -1211.007
where: short stacking energy: -509.363
Base-Backbone interact. energy: 1.653
local terms energy: -520.853068
where:
bonds (distance) C4'-P energy: -94.366
bonds (distance) P-C4' energy: -86.458
flat angles C4'-P-C4' energy: -108.709
flat angles P-C4'-P energy: -80.934
tors. eta vs tors. theta energy: -150.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1692.195577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.195577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.195577 (E_RNA)
where:
Base-Base interactions energy: -1180.461
where: short stacking energy: -487.231
Base-Backbone interact. energy: -1.960
local terms energy: -509.774859
where:
bonds (distance) C4'-P energy: -89.646
bonds (distance) P-C4' energy: -104.138
flat angles C4'-P-C4' energy: -104.217
flat angles P-C4'-P energy: -75.713
tors. eta vs tors. theta energy: -136.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1674.413500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.413500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.413500 (E_RNA)
where:
Base-Base interactions energy: -1185.013
where: short stacking energy: -501.985
Base-Backbone interact. energy: -1.017
local terms energy: -488.382740
where:
bonds (distance) C4'-P energy: -70.084
bonds (distance) P-C4' energy: -88.596
flat angles C4'-P-C4' energy: -111.734
flat angles P-C4'-P energy: -65.997
tors. eta vs tors. theta energy: -151.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1560.670024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.670024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.670024 (E_RNA)
where:
Base-Base interactions energy: -1096.263
where: short stacking energy: -441.295
Base-Backbone interact. energy: -1.336
local terms energy: -463.071154
where:
bonds (distance) C4'-P energy: -88.992
bonds (distance) P-C4' energy: -86.710
flat angles C4'-P-C4' energy: -96.747
flat angles P-C4'-P energy: -66.200
tors. eta vs tors. theta energy: -124.422
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: 283
Temperature: 1.200000
Total energy: -1441.394485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.394485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.394485 (E_RNA)
where:
Base-Base interactions energy: -1005.906
where: short stacking energy: -410.534
Base-Backbone interact. energy: -0.767
local terms energy: -434.722046
where:
bonds (distance) C4'-P energy: -78.100
bonds (distance) P-C4' energy: -74.215
flat angles C4'-P-C4' energy: -103.869
flat angles P-C4'-P energy: -62.546
tors. eta vs tors. theta energy: -115.992
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: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1421.122699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.122699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.122699 (E_RNA)
where:
Base-Base interactions energy: -973.585
where: short stacking energy: -404.998
Base-Backbone interact. energy: 0.771
local terms energy: -448.308457
where:
bonds (distance) C4'-P energy: -89.245
bonds (distance) P-C4' energy: -88.365
flat angles C4'-P-C4' energy: -96.589
flat angles P-C4'-P energy: -54.560
tors. eta vs tors. theta energy: -119.548
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: 283
Temperature: 1.300000
Total energy: -959.167803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.167803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.167803 (E_RNA)
where:
Base-Base interactions energy: -625.913
where: short stacking energy: -274.235
Base-Backbone interact. energy: 1.799
local terms energy: -335.054082
where:
bonds (distance) C4'-P energy: -64.784
bonds (distance) P-C4' energy: -104.116
flat angles C4'-P-C4' energy: -78.541
flat angles P-C4'-P energy: -42.103
tors. eta vs tors. theta energy: -45.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -924.665863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.665863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.665863 (E_RNA)
where:
Base-Base interactions energy: -609.430
where: short stacking energy: -281.766
Base-Backbone interact. energy: 0.529
local terms energy: -315.765033
where:
bonds (distance) C4'-P energy: -60.379
bonds (distance) P-C4' energy: -98.769
flat angles C4'-P-C4' energy: -82.818
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -51.116
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: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1840.559024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.559024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.559024 (E_RNA)
where:
Base-Base interactions energy: -1286.551
where: short stacking energy: -524.323
Base-Backbone interact. energy: -3.344
local terms energy: -550.664246
where:
bonds (distance) C4'-P energy: -101.871
bonds (distance) P-C4' energy: -105.167
flat angles C4'-P-C4' energy: -116.944
flat angles P-C4'-P energy: -77.092
tors. eta vs tors. theta energy: -149.590
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: 2, replica: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1816.340814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.340814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.340814 (E_RNA)
where:
Base-Base interactions energy: -1279.950
where: short stacking energy: -535.269
Base-Backbone interact. energy: -2.124
local terms energy: -534.266367
where:
bonds (distance) C4'-P energy: -99.717
bonds (distance) P-C4' energy: -90.895
flat angles C4'-P-C4' energy: -109.790
flat angles P-C4'-P energy: -76.518
tors. eta vs tors. theta energy: -157.347
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: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1743.729919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.729919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.729919 (E_RNA)
where:
Base-Base interactions energy: -1222.847
where: short stacking energy: -508.865
Base-Backbone interact. energy: -2.002
local terms energy: -518.880572
where:
bonds (distance) C4'-P energy: -84.676
bonds (distance) P-C4' energy: -100.899
flat angles C4'-P-C4' energy: -104.248
flat angles P-C4'-P energy: -79.596
tors. eta vs tors. theta energy: -149.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1664.725703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.725703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.725703 (E_RNA)
where:
Base-Base interactions energy: -1211.341
where: short stacking energy: -515.364
Base-Backbone interact. energy: 1.241
local terms energy: -454.626083
where:
bonds (distance) C4'-P energy: -81.219
bonds (distance) P-C4' energy: -76.311
flat angles C4'-P-C4' energy: -103.561
flat angles P-C4'-P energy: -56.788
tors. eta vs tors. theta energy: -136.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1708.107374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.107374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.107374 (E_RNA)
where:
Base-Base interactions energy: -1191.816
where: short stacking energy: -481.561
Base-Backbone interact. energy: -0.997
local terms energy: -515.293980
where:
bonds (distance) C4'-P energy: -97.474
bonds (distance) P-C4' energy: -90.875
flat angles C4'-P-C4' energy: -107.290
flat angles P-C4'-P energy: -82.377
tors. eta vs tors. theta energy: -137.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1555.130777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.130777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.130777 (E_RNA)
where:
Base-Base interactions energy: -1108.267
where: short stacking energy: -458.490
Base-Backbone interact. energy: -2.868
local terms energy: -443.995303
where:
bonds (distance) C4'-P energy: -67.978
bonds (distance) P-C4' energy: -95.006
flat angles C4'-P-C4' energy: -88.919
flat angles P-C4'-P energy: -51.700
tors. eta vs tors. theta energy: -140.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1441.326773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.326773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.326773 (E_RNA)
where:
Base-Base interactions energy: -1021.582
where: short stacking energy: -434.680
Base-Backbone interact. energy: -1.486
local terms energy: -418.258957
where:
bonds (distance) C4'-P energy: -65.675
bonds (distance) P-C4' energy: -83.406
flat angles C4'-P-C4' energy: -86.898
flat angles P-C4'-P energy: -64.958
tors. eta vs tors. theta energy: -117.322
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: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1482.335871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.335871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.335871 (E_RNA)
where:
Base-Base interactions energy: -1045.270
where: short stacking energy: -418.819
Base-Backbone interact. energy: 1.527
local terms energy: -438.592940
where:
bonds (distance) C4'-P energy: -74.313
bonds (distance) P-C4' energy: -81.334
flat angles C4'-P-C4' energy: -98.008
flat angles P-C4'-P energy: -65.101
tors. eta vs tors. theta energy: -119.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1000.325087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.325087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.325087 (E_RNA)
where:
Base-Base interactions energy: -652.977
where: short stacking energy: -264.897
Base-Backbone interact. energy: -0.585
local terms energy: -346.763486
where:
bonds (distance) C4'-P energy: -76.634
bonds (distance) P-C4' energy: -87.273
flat angles C4'-P-C4' energy: -91.039
flat angles P-C4'-P energy: -49.496
tors. eta vs tors. theta energy: -42.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -826.601722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.601722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.601722 (E_RNA)
where:
Base-Base interactions energy: -533.793
where: short stacking energy: -240.841
Base-Backbone interact. energy: -2.686
local terms energy: -290.123097
where:
bonds (distance) C4'-P energy: -82.485
bonds (distance) P-C4' energy: -80.948
flat angles C4'-P-C4' energy: -59.362
flat angles P-C4'-P energy: -32.961
tors. eta vs tors. theta energy: -34.367
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: 6
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1852.098799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.098799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.098799 (E_RNA)
where:
Base-Base interactions energy: -1313.535
where: short stacking energy: -551.992
Base-Backbone interact. energy: 0.755
local terms energy: -539.318732
where:
bonds (distance) C4'-P energy: -92.694
bonds (distance) P-C4' energy: -108.781
flat angles C4'-P-C4' energy: -105.684
flat angles P-C4'-P energy: -81.029
tors. eta vs tors. theta energy: -151.132
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: 2, replica: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1781.530987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.530987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.530987 (E_RNA)
where:
Base-Base interactions energy: -1252.202
where: short stacking energy: -523.350
Base-Backbone interact. energy: -1.385
local terms energy: -527.943927
where:
bonds (distance) C4'-P energy: -100.157
bonds (distance) P-C4' energy: -89.806
flat angles C4'-P-C4' energy: -108.022
flat angles P-C4'-P energy: -77.027
tors. eta vs tors. theta energy: -152.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1722.997749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.997749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.997749 (E_RNA)
where:
Base-Base interactions energy: -1212.863
where: short stacking energy: -518.909
Base-Backbone interact. energy: -2.219
local terms energy: -507.916241
where:
bonds (distance) C4'-P energy: -87.581
bonds (distance) P-C4' energy: -97.085
flat angles C4'-P-C4' energy: -104.689
flat angles P-C4'-P energy: -71.055
tors. eta vs tors. theta energy: -147.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1723.419164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.419164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.419164 (E_RNA)
where:
Base-Base interactions energy: -1217.020
where: short stacking energy: -498.948
Base-Backbone interact. energy: -0.266
local terms energy: -506.133212
where:
bonds (distance) C4'-P energy: -97.784
bonds (distance) P-C4' energy: -84.360
flat angles C4'-P-C4' energy: -105.088
flat angles P-C4'-P energy: -66.222
tors. eta vs tors. theta energy: -152.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1586.961923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.961923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.961923 (E_RNA)
where:
Base-Base interactions energy: -1112.429
where: short stacking energy: -463.752
Base-Backbone interact. energy: -1.744
local terms energy: -472.789513
where:
bonds (distance) C4'-P energy: -89.773
bonds (distance) P-C4' energy: -87.087
flat angles C4'-P-C4' energy: -104.158
flat angles P-C4'-P energy: -66.584
tors. eta vs tors. theta energy: -125.186
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: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1596.733658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.733658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.733658 (E_RNA)
where:
Base-Base interactions energy: -1138.995
where: short stacking energy: -477.962
Base-Backbone interact. energy: 0.027
local terms energy: -457.765324
where:
bonds (distance) C4'-P energy: -68.557
bonds (distance) P-C4' energy: -80.362
flat angles C4'-P-C4' energy: -95.723
flat angles P-C4'-P energy: -73.736
tors. eta vs tors. theta energy: -139.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1427.643924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.643924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.643924 (E_RNA)
where:
Base-Base interactions energy: -989.746
where: short stacking energy: -403.249
Base-Backbone interact. energy: 2.086
local terms energy: -439.983487
where:
bonds (distance) C4'-P energy: -77.660
bonds (distance) P-C4' energy: -87.461
flat angles C4'-P-C4' energy: -91.569
flat angles P-C4'-P energy: -72.518
tors. eta vs tors. theta energy: -110.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1486.786525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.786525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.786525 (E_RNA)
where:
Base-Base interactions energy: -1076.543
where: short stacking energy: -427.551
Base-Backbone interact. energy: 1.033
local terms energy: -411.277032
where:
bonds (distance) C4'-P energy: -77.169
bonds (distance) P-C4' energy: -71.490
flat angles C4'-P-C4' energy: -84.395
flat angles P-C4'-P energy: -58.772
tors. eta vs tors. theta energy: -119.452
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: 285
Temperature: 1.300000
Total energy: -1039.119212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.119212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.119212 (E_RNA)
where:
Base-Base interactions energy: -667.328
where: short stacking energy: -276.848
Base-Backbone interact. energy: 1.136
local terms energy: -372.927202
where:
bonds (distance) C4'-P energy: -77.987
bonds (distance) P-C4' energy: -91.200
flat angles C4'-P-C4' energy: -90.799
flat angles P-C4'-P energy: -57.624
tors. eta vs tors. theta energy: -55.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -815.677265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.677265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.677265 (E_RNA)
where:
Base-Base interactions energy: -513.504
where: short stacking energy: -235.626
Base-Backbone interact. energy: 0.104
local terms energy: -302.277249
where:
bonds (distance) C4'-P energy: -66.128
bonds (distance) P-C4' energy: -73.340
flat angles C4'-P-C4' energy: -76.549
flat angles P-C4'-P energy: -39.469
tors. eta vs tors. theta energy: -46.791
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: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1863.136478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.136478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.136478 (E_RNA)
where:
Base-Base interactions energy: -1312.433
where: short stacking energy: -543.102
Base-Backbone interact. energy: -1.041
local terms energy: -549.662062
where:
bonds (distance) C4'-P energy: -97.471
bonds (distance) P-C4' energy: -94.615
flat angles C4'-P-C4' energy: -122.222
flat angles P-C4'-P energy: -78.794
tors. eta vs tors. theta energy: -156.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1786.095865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.095865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.095865 (E_RNA)
where:
Base-Base interactions energy: -1257.156
where: short stacking energy: -527.143
Base-Backbone interact. energy: -1.413
local terms energy: -527.526569
where:
bonds (distance) C4'-P energy: -87.972
bonds (distance) P-C4' energy: -98.308
flat angles C4'-P-C4' energy: -112.098
flat angles P-C4'-P energy: -73.784
tors. eta vs tors. theta energy: -155.365
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: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1751.243960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.243960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.243960 (E_RNA)
where:
Base-Base interactions energy: -1243.775
where: short stacking energy: -523.170
Base-Backbone interact. energy: 2.973
local terms energy: -510.441389
where:
bonds (distance) C4'-P energy: -91.194
bonds (distance) P-C4' energy: -91.751
flat angles C4'-P-C4' energy: -103.474
flat angles P-C4'-P energy: -68.982
tors. eta vs tors. theta energy: -155.041
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: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1689.017334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.017334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.017334 (E_RNA)
where:
Base-Base interactions energy: -1174.576
where: short stacking energy: -476.135
Base-Backbone interact. energy: -0.594
local terms energy: -513.847589
where:
bonds (distance) C4'-P energy: -99.133
bonds (distance) P-C4' energy: -97.594
flat angles C4'-P-C4' energy: -102.419
flat angles P-C4'-P energy: -73.873
tors. eta vs tors. theta energy: -140.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1618.311845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.311845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.311845 (E_RNA)
where:
Base-Base interactions energy: -1155.323
where: short stacking energy: -462.996
Base-Backbone interact. energy: 0.222
local terms energy: -463.210873
where:
bonds (distance) C4'-P energy: -65.077
bonds (distance) P-C4' energy: -94.626
flat angles C4'-P-C4' energy: -98.568
flat angles P-C4'-P energy: -64.286
tors. eta vs tors. theta energy: -140.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1562.700823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.700823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.700823 (E_RNA)
where:
Base-Base interactions energy: -1127.969
where: short stacking energy: -467.110
Base-Backbone interact. energy: -0.253
local terms energy: -434.478392
where:
bonds (distance) C4'-P energy: -73.583
bonds (distance) P-C4' energy: -79.733
flat angles C4'-P-C4' energy: -92.529
flat angles P-C4'-P energy: -63.827
tors. eta vs tors. theta energy: -124.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1450.916968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.916968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.916968 (E_RNA)
where:
Base-Base interactions energy: -1008.509
where: short stacking energy: -405.319
Base-Backbone interact. energy: -1.063
local terms energy: -441.344193
where:
bonds (distance) C4'-P energy: -80.181
bonds (distance) P-C4' energy: -91.451
flat angles C4'-P-C4' energy: -85.656
flat angles P-C4'-P energy: -60.373
tors. eta vs tors. theta energy: -123.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1420.239427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.239427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.239427 (E_RNA)
where:
Base-Base interactions energy: -997.878
where: short stacking energy: -394.739
Base-Backbone interact. energy: -1.471
local terms energy: -420.890893
where:
bonds (distance) C4'-P energy: -74.667
bonds (distance) P-C4' energy: -96.658
flat angles C4'-P-C4' energy: -86.726
flat angles P-C4'-P energy: -60.209
tors. eta vs tors. theta energy: -102.631
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: 286
Temperature: 1.300000
Total energy: -966.080041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.080041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.080041 (E_RNA)
where:
Base-Base interactions energy: -614.217
where: short stacking energy: -267.800
Base-Backbone interact. energy: -2.723
local terms energy: -349.140029
where:
bonds (distance) C4'-P energy: -85.130
bonds (distance) P-C4' energy: -76.992
flat angles C4'-P-C4' energy: -83.617
flat angles P-C4'-P energy: -54.794
tors. eta vs tors. theta energy: -48.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -867.950391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.950391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.950391 (E_RNA)
where:
Base-Base interactions energy: -556.212
where: short stacking energy: -259.781
Base-Backbone interact. energy: -1.871
local terms energy: -309.867714
where:
bonds (distance) C4'-P energy: -65.944
bonds (distance) P-C4' energy: -66.007
flat angles C4'-P-C4' energy: -84.773
flat angles P-C4'-P energy: -56.027
tors. eta vs tors. theta energy: -37.116
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: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1832.383851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.383851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.383851 (E_RNA)
where:
Base-Base interactions energy: -1280.629
where: short stacking energy: -534.158
Base-Backbone interact. energy: -3.561
local terms energy: -548.193267
where:
bonds (distance) C4'-P energy: -91.152
bonds (distance) P-C4' energy: -104.012
flat angles C4'-P-C4' energy: -113.411
flat angles P-C4'-P energy: -81.629
tors. eta vs tors. theta energy: -157.989
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: 2, replica: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1783.023915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.023915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.023915 (E_RNA)
where:
Base-Base interactions energy: -1257.910
where: short stacking energy: -515.211
Base-Backbone interact. energy: -1.081
local terms energy: -524.032696
where:
bonds (distance) C4'-P energy: -93.666
bonds (distance) P-C4' energy: -100.049
flat angles C4'-P-C4' energy: -108.856
flat angles P-C4'-P energy: -69.772
tors. eta vs tors. theta energy: -151.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1752.149654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.149654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.149654 (E_RNA)
where:
Base-Base interactions energy: -1231.331
where: short stacking energy: -516.542
Base-Backbone interact. energy: -2.329
local terms energy: -518.489630
where:
bonds (distance) C4'-P energy: -93.014
bonds (distance) P-C4' energy: -86.162
flat angles C4'-P-C4' energy: -102.935
flat angles P-C4'-P energy: -82.025
tors. eta vs tors. theta energy: -154.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1680.432810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.432810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.432810 (E_RNA)
where:
Base-Base interactions energy: -1187.425
where: short stacking energy: -500.210
Base-Backbone interact. energy: -2.315
local terms energy: -490.693137
where:
bonds (distance) C4'-P energy: -93.569
bonds (distance) P-C4' energy: -78.905
flat angles C4'-P-C4' energy: -108.252
flat angles P-C4'-P energy: -57.903
tors. eta vs tors. theta energy: -152.065
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: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1653.193783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.193783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.193783 (E_RNA)
where:
Base-Base interactions energy: -1170.154
where: short stacking energy: -474.916
Base-Backbone interact. energy: -2.281
local terms energy: -480.758833
where:
bonds (distance) C4'-P energy: -95.963
bonds (distance) P-C4' energy: -82.255
flat angles C4'-P-C4' energy: -96.594
flat angles P-C4'-P energy: -68.050
tors. eta vs tors. theta energy: -137.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1560.350876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.350876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.350876 (E_RNA)
where:
Base-Base interactions energy: -1109.833
where: short stacking energy: -445.331
Base-Backbone interact. energy: 1.332
local terms energy: -451.849644
where:
bonds (distance) C4'-P energy: -84.324
bonds (distance) P-C4' energy: -82.884
flat angles C4'-P-C4' energy: -99.964
flat angles P-C4'-P energy: -67.696
tors. eta vs tors. theta energy: -116.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1445.199906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.199906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.199906 (E_RNA)
where:
Base-Base interactions energy: -1017.021
where: short stacking energy: -423.298
Base-Backbone interact. energy: -0.578
local terms energy: -427.600931
where:
bonds (distance) C4'-P energy: -79.440
bonds (distance) P-C4' energy: -82.412
flat angles C4'-P-C4' energy: -89.594
flat angles P-C4'-P energy: -58.409
tors. eta vs tors. theta energy: -117.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1360.019863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.019863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.019863 (E_RNA)
where:
Base-Base interactions energy: -938.849
where: short stacking energy: -380.696
Base-Backbone interact. energy: -1.578
local terms energy: -419.592676
where:
bonds (distance) C4'-P energy: -84.336
bonds (distance) P-C4' energy: -75.236
flat angles C4'-P-C4' energy: -103.218
flat angles P-C4'-P energy: -51.452
tors. eta vs tors. theta energy: -105.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -940.969456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.969456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.969456 (E_RNA)
where:
Base-Base interactions energy: -621.571
where: short stacking energy: -274.194
Base-Backbone interact. energy: 1.186
local terms energy: -320.584477
where:
bonds (distance) C4'-P energy: -78.715
bonds (distance) P-C4' energy: -68.457
flat angles C4'-P-C4' energy: -76.690
flat angles P-C4'-P energy: -47.112
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: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -816.201552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.201552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.201552 (E_RNA)
where:
Base-Base interactions energy: -506.193
where: short stacking energy: -227.862
Base-Backbone interact. energy: 2.948
local terms energy: -312.956047
where:
bonds (distance) C4'-P energy: -66.163
bonds (distance) P-C4' energy: -90.917
flat angles C4'-P-C4' energy: -86.427
flat angles P-C4'-P energy: -48.103
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1858.907253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.907253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.907253 (E_RNA)
where:
Base-Base interactions energy: -1323.130
where: short stacking energy: -552.256
Base-Backbone interact. energy: -3.751
local terms energy: -532.025751
where:
bonds (distance) C4'-P energy: -96.202
bonds (distance) P-C4' energy: -97.560
flat angles C4'-P-C4' energy: -107.024
flat angles P-C4'-P energy: -74.521
tors. eta vs tors. theta energy: -156.718
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: 288
Temperature: 0.950000
Total energy: -1798.351700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.351700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.351700 (E_RNA)
where:
Base-Base interactions energy: -1266.540
where: short stacking energy: -534.847
Base-Backbone interact. energy: -2.137
local terms energy: -529.674618
where:
bonds (distance) C4'-P energy: -97.227
bonds (distance) P-C4' energy: -81.312
flat angles C4'-P-C4' energy: -112.125
flat angles P-C4'-P energy: -84.975
tors. eta vs tors. theta energy: -154.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1767.367307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.367307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.367307 (E_RNA)
where:
Base-Base interactions energy: -1247.297
where: short stacking energy: -517.618
Base-Backbone interact. energy: -1.396
local terms energy: -518.673881
where:
bonds (distance) C4'-P energy: -89.411
bonds (distance) P-C4' energy: -84.021
flat angles C4'-P-C4' energy: -111.232
flat angles P-C4'-P energy: -81.304
tors. eta vs tors. theta energy: -152.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1691.392435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.392435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.392435 (E_RNA)
where:
Base-Base interactions energy: -1189.220
where: short stacking energy: -491.534
Base-Backbone interact. energy: -0.934
local terms energy: -501.237644
where:
bonds (distance) C4'-P energy: -98.416
bonds (distance) P-C4' energy: -86.913
flat angles C4'-P-C4' energy: -105.485
flat angles P-C4'-P energy: -70.638
tors. eta vs tors. theta energy: -139.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1661.504585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.504585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.504585 (E_RNA)
where:
Base-Base interactions energy: -1174.364
where: short stacking energy: -496.718
Base-Backbone interact. energy: 1.675
local terms energy: -488.815856
where:
bonds (distance) C4'-P energy: -81.054
bonds (distance) P-C4' energy: -75.855
flat angles C4'-P-C4' energy: -113.517
flat angles P-C4'-P energy: -70.942
tors. eta vs tors. theta energy: -147.447
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: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1547.103368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.103368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.103368 (E_RNA)
where:
Base-Base interactions energy: -1091.793
where: short stacking energy: -475.398
Base-Backbone interact. energy: -0.851
local terms energy: -454.458664
where:
bonds (distance) C4'-P energy: -79.654
bonds (distance) P-C4' energy: -90.564
flat angles C4'-P-C4' energy: -84.090
flat angles P-C4'-P energy: -72.895
tors. eta vs tors. theta energy: -127.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1396.409903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.409903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.409903 (E_RNA)
where:
Base-Base interactions energy: -949.115
where: short stacking energy: -391.844
Base-Backbone interact. energy: -1.662
local terms energy: -445.633147
where:
bonds (distance) C4'-P energy: -83.798
bonds (distance) P-C4' energy: -82.818
flat angles C4'-P-C4' energy: -97.614
flat angles P-C4'-P energy: -72.417
tors. eta vs tors. theta energy: -108.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1317.657886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.657886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.657886 (E_RNA)
where:
Base-Base interactions energy: -914.994
where: short stacking energy: -383.796
Base-Backbone interact. energy: -0.928
local terms energy: -401.735827
where:
bonds (distance) C4'-P energy: -49.405
bonds (distance) P-C4' energy: -91.355
flat angles C4'-P-C4' energy: -97.158
flat angles P-C4'-P energy: -61.618
tors. eta vs tors. theta energy: -102.200
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: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -908.950355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.950355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.950355 (E_RNA)
where:
Base-Base interactions energy: -566.074
where: short stacking energy: -258.349
Base-Backbone interact. energy: 0.133
local terms energy: -343.009737
where:
bonds (distance) C4'-P energy: -88.697
bonds (distance) P-C4' energy: -85.548
flat angles C4'-P-C4' energy: -66.258
flat angles P-C4'-P energy: -46.652
tors. eta vs tors. theta energy: -55.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -833.689620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.689620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.689620 (E_RNA)
where:
Base-Base interactions energy: -508.892
where: short stacking energy: -219.867
Base-Backbone interact. energy: -0.895
local terms energy: -323.902594
where:
bonds (distance) C4'-P energy: -83.406
bonds (distance) P-C4' energy: -84.983
flat angles C4'-P-C4' energy: -77.420
flat angles P-C4'-P energy: -56.898
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: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1846.979001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.979001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.979001 (E_RNA)
where:
Base-Base interactions energy: -1291.285
where: short stacking energy: -533.016
Base-Backbone interact. energy: -6.359
local terms energy: -549.335285
where:
bonds (distance) C4'-P energy: -100.247
bonds (distance) P-C4' energy: -101.063
flat angles C4'-P-C4' energy: -112.423
flat angles P-C4'-P energy: -77.479
tors. eta vs tors. theta energy: -158.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1806.678626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.678626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.678626 (E_RNA)
where:
Base-Base interactions energy: -1260.728
where: short stacking energy: -532.914
Base-Backbone interact. energy: -0.429
local terms energy: -545.522408
where:
bonds (distance) C4'-P energy: -93.996
bonds (distance) P-C4' energy: -93.898
flat angles C4'-P-C4' energy: -115.149
flat angles P-C4'-P energy: -83.884
tors. eta vs tors. theta energy: -158.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1756.748584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.748584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.748584 (E_RNA)
where:
Base-Base interactions energy: -1231.948
where: short stacking energy: -521.195
Base-Backbone interact. energy: -0.768
local terms energy: -524.032942
where:
bonds (distance) C4'-P energy: -93.079
bonds (distance) P-C4' energy: -92.912
flat angles C4'-P-C4' energy: -105.261
flat angles P-C4'-P energy: -77.887
tors. eta vs tors. theta energy: -154.894
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: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1687.902659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.902659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.902659 (E_RNA)
where:
Base-Base interactions energy: -1182.785
where: short stacking energy: -493.705
Base-Backbone interact. energy: 1.041
local terms energy: -506.158095
where:
bonds (distance) C4'-P energy: -100.646
bonds (distance) P-C4' energy: -92.775
flat angles C4'-P-C4' energy: -89.668
flat angles P-C4'-P energy: -76.442
tors. eta vs tors. theta energy: -146.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1671.436391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.436391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.436391 (E_RNA)
where:
Base-Base interactions energy: -1198.626
where: short stacking energy: -508.779
Base-Backbone interact. energy: -0.999
local terms energy: -471.810828
where:
bonds (distance) C4'-P energy: -61.082
bonds (distance) P-C4' energy: -73.570
flat angles C4'-P-C4' energy: -108.405
flat angles P-C4'-P energy: -74.444
tors. eta vs tors. theta energy: -154.311
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: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1540.583916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.583916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.583916 (E_RNA)
where:
Base-Base interactions energy: -1098.200
where: short stacking energy: -444.540
Base-Backbone interact. energy: -0.032
local terms energy: -442.352017
where:
bonds (distance) C4'-P energy: -71.522
bonds (distance) P-C4' energy: -75.410
flat angles C4'-P-C4' energy: -101.456
flat angles P-C4'-P energy: -63.714
tors. eta vs tors. theta energy: -130.249
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: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1416.136939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.136939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.136939 (E_RNA)
where:
Base-Base interactions energy: -985.000
where: short stacking energy: -413.158
Base-Backbone interact. energy: 2.636
local terms energy: -433.773206
where:
bonds (distance) C4'-P energy: -74.967
bonds (distance) P-C4' energy: -80.683
flat angles C4'-P-C4' energy: -100.899
flat angles P-C4'-P energy: -69.871
tors. eta vs tors. theta energy: -107.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1313.403816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.403816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.403816 (E_RNA)
where:
Base-Base interactions energy: -891.272
where: short stacking energy: -356.412
Base-Backbone interact. energy: -0.733
local terms energy: -421.399318
where:
bonds (distance) C4'-P energy: -87.603
bonds (distance) P-C4' energy: -86.066
flat angles C4'-P-C4' energy: -91.881
flat angles P-C4'-P energy: -52.452
tors. eta vs tors. theta energy: -103.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -924.035735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.035735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.035735 (E_RNA)
where:
Base-Base interactions energy: -585.517
where: short stacking energy: -259.330
Base-Backbone interact. energy: -0.380
local terms energy: -338.139047
where:
bonds (distance) C4'-P energy: -71.612
bonds (distance) P-C4' energy: -101.006
flat angles C4'-P-C4' energy: -71.486
flat angles P-C4'-P energy: -48.591
tors. eta vs tors. theta energy: -45.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -817.791985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.791985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.791985 (E_RNA)
where:
Base-Base interactions energy: -522.376
where: short stacking energy: -268.448
Base-Backbone interact. energy: -0.451
local terms energy: -294.964956
where:
bonds (distance) C4'-P energy: -51.949
bonds (distance) P-C4' energy: -71.915
flat angles C4'-P-C4' energy: -82.841
flat angles P-C4'-P energy: -39.476
tors. eta vs tors. theta energy: -48.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1858.610230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.610230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.610230 (E_RNA)
where:
Base-Base interactions energy: -1309.238
where: short stacking energy: -556.321
Base-Backbone interact. energy: -2.345
local terms energy: -547.027166
where:
bonds (distance) C4'-P energy: -102.200
bonds (distance) P-C4' energy: -102.876
flat angles C4'-P-C4' energy: -110.482
flat angles P-C4'-P energy: -71.587
tors. eta vs tors. theta energy: -159.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1809.261890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.261890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.261890 (E_RNA)
where:
Base-Base interactions energy: -1282.774
where: short stacking energy: -524.877
Base-Backbone interact. energy: -1.882
local terms energy: -524.606238
where:
bonds (distance) C4'-P energy: -96.557
bonds (distance) P-C4' energy: -86.928
flat angles C4'-P-C4' energy: -112.578
flat angles P-C4'-P energy: -75.386
tors. eta vs tors. theta energy: -153.158
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: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1735.735969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.735969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.735969 (E_RNA)
where:
Base-Base interactions energy: -1222.458
where: short stacking energy: -519.840
Base-Backbone interact. energy: 0.610
local terms energy: -513.888004
where:
bonds (distance) C4'-P energy: -78.309
bonds (distance) P-C4' energy: -98.609
flat angles C4'-P-C4' energy: -97.041
flat angles P-C4'-P energy: -85.063
tors. eta vs tors. theta energy: -154.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1689.135804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.135804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.135804 (E_RNA)
where:
Base-Base interactions energy: -1196.208
where: short stacking energy: -497.440
Base-Backbone interact. energy: -1.493
local terms energy: -491.435350
where:
bonds (distance) C4'-P energy: -75.522
bonds (distance) P-C4' energy: -94.121
flat angles C4'-P-C4' energy: -105.053
flat angles P-C4'-P energy: -74.942
tors. eta vs tors. theta energy: -141.798
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: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1658.112032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.112032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.112032 (E_RNA)
where:
Base-Base interactions energy: -1163.989
where: short stacking energy: -485.846
Base-Backbone interact. energy: -3.040
local terms energy: -491.083547
where:
bonds (distance) C4'-P energy: -91.884
bonds (distance) P-C4' energy: -90.737
flat angles C4'-P-C4' energy: -104.282
flat angles P-C4'-P energy: -67.360
tors. eta vs tors. theta energy: -136.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1531.433177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.433177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.433177 (E_RNA)
where:
Base-Base interactions energy: -1073.288
where: short stacking energy: -439.273
Base-Backbone interact. energy: -2.559
local terms energy: -455.586217
where:
bonds (distance) C4'-P energy: -89.599
bonds (distance) P-C4' energy: -91.158
flat angles C4'-P-C4' energy: -90.037
flat angles P-C4'-P energy: -68.331
tors. eta vs tors. theta energy: -116.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1427.929168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.929168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.929168 (E_RNA)
where:
Base-Base interactions energy: -984.299
where: short stacking energy: -403.844
Base-Backbone interact. energy: -1.494
local terms energy: -442.136296
where:
bonds (distance) C4'-P energy: -71.969
bonds (distance) P-C4' energy: -89.463
flat angles C4'-P-C4' energy: -90.157
flat angles P-C4'-P energy: -75.326
tors. eta vs tors. theta energy: -115.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1369.736673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.736673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.736673 (E_RNA)
where:
Base-Base interactions energy: -984.828
where: short stacking energy: -401.609
Base-Backbone interact. energy: -3.084
local terms energy: -381.824269
where:
bonds (distance) C4'-P energy: -69.282
bonds (distance) P-C4' energy: -79.579
flat angles C4'-P-C4' energy: -100.797
flat angles P-C4'-P energy: -38.347
tors. eta vs tors. theta energy: -93.818
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: 290
Temperature: 1.300000
Total energy: -899.043931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.043931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.043931 (E_RNA)
where:
Base-Base interactions energy: -565.342
where: short stacking energy: -256.129
Base-Backbone interact. energy: 1.644
local terms energy: -335.345923
where:
bonds (distance) C4'-P energy: -71.323
bonds (distance) P-C4' energy: -85.268
flat angles C4'-P-C4' energy: -84.164
flat angles P-C4'-P energy: -50.754
tors. eta vs tors. theta energy: -43.838
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: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -776.631551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.631551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.631551 (E_RNA)
where:
Base-Base interactions energy: -464.596
where: short stacking energy: -203.682
Base-Backbone interact. energy: 1.979
local terms energy: -314.014560
where:
bonds (distance) C4'-P energy: -88.842
bonds (distance) P-C4' energy: -76.392
flat angles C4'-P-C4' energy: -91.154
flat angles P-C4'-P energy: -38.764
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1832.094731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.094731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.094731 (E_RNA)
where:
Base-Base interactions energy: -1311.885
where: short stacking energy: -551.269
Base-Backbone interact. energy: 0.645
local terms energy: -520.855356
where:
bonds (distance) C4'-P energy: -91.392
bonds (distance) P-C4' energy: -93.851
flat angles C4'-P-C4' energy: -112.743
flat angles P-C4'-P energy: -66.107
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: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1795.144094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.144094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.144094 (E_RNA)
where:
Base-Base interactions energy: -1265.643
where: short stacking energy: -527.436
Base-Backbone interact. energy: -2.821
local terms energy: -526.680413
where:
bonds (distance) C4'-P energy: -87.882
bonds (distance) P-C4' energy: -101.074
flat angles C4'-P-C4' energy: -107.294
flat angles P-C4'-P energy: -80.119
tors. eta vs tors. theta energy: -150.311
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: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1751.040797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.040797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.040797 (E_RNA)
where:
Base-Base interactions energy: -1226.420
where: short stacking energy: -518.841
Base-Backbone interact. energy: -1.409
local terms energy: -523.211295
where:
bonds (distance) C4'-P energy: -89.294
bonds (distance) P-C4' energy: -91.075
flat angles C4'-P-C4' energy: -104.582
flat angles P-C4'-P energy: -85.437
tors. eta vs tors. theta energy: -152.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1694.963550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.963550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.963550 (E_RNA)
where:
Base-Base interactions energy: -1178.123
where: short stacking energy: -491.957
Base-Backbone interact. energy: -1.930
local terms energy: -514.910582
where:
bonds (distance) C4'-P energy: -94.086
bonds (distance) P-C4' energy: -103.347
flat angles C4'-P-C4' energy: -101.846
flat angles P-C4'-P energy: -73.388
tors. eta vs tors. theta energy: -142.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1665.687928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.687928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.687928 (E_RNA)
where:
Base-Base interactions energy: -1163.212
where: short stacking energy: -490.123
Base-Backbone interact. energy: 0.111
local terms energy: -502.586553
where:
bonds (distance) C4'-P energy: -92.629
bonds (distance) P-C4' energy: -101.342
flat angles C4'-P-C4' energy: -99.985
flat angles P-C4'-P energy: -66.401
tors. eta vs tors. theta energy: -142.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1540.593589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.593589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.593589 (E_RNA)
where:
Base-Base interactions energy: -1083.727
where: short stacking energy: -430.284
Base-Backbone interact. energy: -1.573
local terms energy: -455.293642
where:
bonds (distance) C4'-P energy: -78.530
bonds (distance) P-C4' energy: -76.415
flat angles C4'-P-C4' energy: -98.435
flat angles P-C4'-P energy: -71.383
tors. eta vs tors. theta energy: -130.530
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: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1465.495640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.495640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.495640 (E_RNA)
where:
Base-Base interactions energy: -1021.995
where: short stacking energy: -423.009
Base-Backbone interact. energy: 1.105
local terms energy: -444.606052
where:
bonds (distance) C4'-P energy: -73.530
bonds (distance) P-C4' energy: -99.722
flat angles C4'-P-C4' energy: -95.619
flat angles P-C4'-P energy: -62.563
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: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1397.232812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.232812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.232812 (E_RNA)
where:
Base-Base interactions energy: -1001.354
where: short stacking energy: -408.895
Base-Backbone interact. energy: 3.154
local terms energy: -399.032564
where:
bonds (distance) C4'-P energy: -83.685
bonds (distance) P-C4' energy: -80.075
flat angles C4'-P-C4' energy: -87.017
flat angles P-C4'-P energy: -48.067
tors. eta vs tors. theta energy: -100.188
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: 291
Temperature: 1.300000
Total energy: -842.191163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.191163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.191163 (E_RNA)
where:
Base-Base interactions energy: -529.843
where: short stacking energy: -225.685
Base-Backbone interact. energy: -0.920
local terms energy: -311.428264
where:
bonds (distance) C4'-P energy: -75.325
bonds (distance) P-C4' energy: -78.702
flat angles C4'-P-C4' energy: -86.236
flat angles P-C4'-P energy: -35.002
tors. eta vs tors. theta energy: -36.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -778.947498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.947498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.947498 (E_RNA)
where:
Base-Base interactions energy: -491.754
where: short stacking energy: -229.119
Base-Backbone interact. energy: -1.149
local terms energy: -286.044757
where:
bonds (distance) C4'-P energy: -79.619
bonds (distance) P-C4' energy: -78.070
flat angles C4'-P-C4' energy: -70.416
flat angles P-C4'-P energy: -32.422
tors. eta vs tors. theta energy: -25.517
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: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1853.428225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.428225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.428225 (E_RNA)
where:
Base-Base interactions energy: -1302.682
where: short stacking energy: -552.499
Base-Backbone interact. energy: -3.797
local terms energy: -546.949674
where:
bonds (distance) C4'-P energy: -98.611
bonds (distance) P-C4' energy: -102.145
flat angles C4'-P-C4' energy: -109.789
flat angles P-C4'-P energy: -81.980
tors. eta vs tors. theta energy: -154.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1817.251977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.251977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.251977 (E_RNA)
where:
Base-Base interactions energy: -1280.157
where: short stacking energy: -546.234
Base-Backbone interact. energy: -1.295
local terms energy: -535.800108
where:
bonds (distance) C4'-P energy: -89.960
bonds (distance) P-C4' energy: -95.856
flat angles C4'-P-C4' energy: -108.526
flat angles P-C4'-P energy: -76.631
tors. eta vs tors. theta energy: -164.827
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: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1764.136081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.136081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.136081 (E_RNA)
where:
Base-Base interactions energy: -1254.311
where: short stacking energy: -536.962
Base-Backbone interact. energy: -1.674
local terms energy: -508.151486
where:
bonds (distance) C4'-P energy: -90.485
bonds (distance) P-C4' energy: -83.894
flat angles C4'-P-C4' energy: -112.479
flat angles P-C4'-P energy: -62.091
tors. eta vs tors. theta energy: -159.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1717.060789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.060789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.060789 (E_RNA)
where:
Base-Base interactions energy: -1202.530
where: short stacking energy: -515.675
Base-Backbone interact. energy: 0.113
local terms energy: -514.643494
where:
bonds (distance) C4'-P energy: -89.233
bonds (distance) P-C4' energy: -86.480
flat angles C4'-P-C4' energy: -109.421
flat angles P-C4'-P energy: -76.173
tors. eta vs tors. theta energy: -153.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1572.555855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.555855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.555855 (E_RNA)
where:
Base-Base interactions energy: -1099.759
where: short stacking energy: -455.068
Base-Backbone interact. energy: -2.330
local terms energy: -470.467087
where:
bonds (distance) C4'-P energy: -95.578
bonds (distance) P-C4' energy: -94.370
flat angles C4'-P-C4' energy: -103.954
flat angles P-C4'-P energy: -54.825
tors. eta vs tors. theta energy: -121.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1571.286501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.286501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.286501 (E_RNA)
where:
Base-Base interactions energy: -1090.086
where: short stacking energy: -454.259
Base-Backbone interact. energy: -2.130
local terms energy: -479.070991
where:
bonds (distance) C4'-P energy: -90.205
bonds (distance) P-C4' energy: -80.679
flat angles C4'-P-C4' energy: -103.866
flat angles P-C4'-P energy: -75.416
tors. eta vs tors. theta energy: -128.905
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: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1448.314973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.314973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.314973 (E_RNA)
where:
Base-Base interactions energy: -1010.164
where: short stacking energy: -423.185
Base-Backbone interact. energy: 1.025
local terms energy: -439.176741
where:
bonds (distance) C4'-P energy: -82.219
bonds (distance) P-C4' energy: -85.153
flat angles C4'-P-C4' energy: -93.314
flat angles P-C4'-P energy: -66.964
tors. eta vs tors. theta energy: -111.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1377.593486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.593486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.593486 (E_RNA)
where:
Base-Base interactions energy: -974.586
where: short stacking energy: -419.657
Base-Backbone interact. energy: 2.626
local terms energy: -405.633246
where:
bonds (distance) C4'-P energy: -81.317
bonds (distance) P-C4' energy: -74.462
flat angles C4'-P-C4' energy: -90.197
flat angles P-C4'-P energy: -48.313
tors. eta vs tors. theta energy: -111.344
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: 292
Temperature: 1.300000
Total energy: -895.658131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.658131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.658131 (E_RNA)
where:
Base-Base interactions energy: -572.708
where: short stacking energy: -262.485
Base-Backbone interact. energy: 0.246
local terms energy: -323.196072
where:
bonds (distance) C4'-P energy: -68.211
bonds (distance) P-C4' energy: -81.013
flat angles C4'-P-C4' energy: -70.393
flat angles P-C4'-P energy: -46.263
tors. eta vs tors. theta energy: -57.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -769.902238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.902238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.902238 (E_RNA)
where:
Base-Base interactions energy: -476.769
where: short stacking energy: -228.077
Base-Backbone interact. energy: 0.228
local terms energy: -293.361267
where:
bonds (distance) C4'-P energy: -61.801
bonds (distance) P-C4' energy: -87.094
flat angles C4'-P-C4' energy: -64.307
flat angles P-C4'-P energy: -46.490
tors. eta vs tors. theta energy: -33.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1886.758771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.758771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.758771 (E_RNA)
where:
Base-Base interactions energy: -1309.077
where: short stacking energy: -534.816
Base-Backbone interact. energy: -3.046
local terms energy: -574.635328
where:
bonds (distance) C4'-P energy: -109.910
bonds (distance) P-C4' energy: -100.220
flat angles C4'-P-C4' energy: -124.801
flat angles P-C4'-P energy: -80.921
tors. eta vs tors. theta energy: -158.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1815.009726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.009726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.009726 (E_RNA)
where:
Base-Base interactions energy: -1263.573
where: short stacking energy: -544.187
Base-Backbone interact. energy: -0.384
local terms energy: -551.052374
where:
bonds (distance) C4'-P energy: -98.394
bonds (distance) P-C4' energy: -92.433
flat angles C4'-P-C4' energy: -117.235
flat angles P-C4'-P energy: -87.392
tors. eta vs tors. theta energy: -155.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1766.325178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.325178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.325178 (E_RNA)
where:
Base-Base interactions energy: -1224.354
where: short stacking energy: -522.110
Base-Backbone interact. energy: -1.649
local terms energy: -540.322052
where:
bonds (distance) C4'-P energy: -89.537
bonds (distance) P-C4' energy: -99.667
flat angles C4'-P-C4' energy: -113.346
flat angles P-C4'-P energy: -82.617
tors. eta vs tors. theta energy: -155.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1689.492769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.492769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.492769 (E_RNA)
where:
Base-Base interactions energy: -1190.273
where: short stacking energy: -498.139
Base-Backbone interact. energy: -1.254
local terms energy: -497.965444
where:
bonds (distance) C4'-P energy: -105.884
bonds (distance) P-C4' energy: -71.749
flat angles C4'-P-C4' energy: -105.433
flat angles P-C4'-P energy: -65.065
tors. eta vs tors. theta energy: -149.834
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: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1557.090983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.090983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.090983 (E_RNA)
where:
Base-Base interactions energy: -1097.181
where: short stacking energy: -473.592
Base-Backbone interact. energy: 2.685
local terms energy: -462.594372
where:
bonds (distance) C4'-P energy: -77.778
bonds (distance) P-C4' energy: -94.517
flat angles C4'-P-C4' energy: -102.147
flat angles P-C4'-P energy: -58.792
tors. eta vs tors. theta energy: -129.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1581.580834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.580834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.580834 (E_RNA)
where:
Base-Base interactions energy: -1101.685
where: short stacking energy: -474.110
Base-Backbone interact. energy: -0.298
local terms energy: -479.598249
where:
bonds (distance) C4'-P energy: -84.429
bonds (distance) P-C4' energy: -84.410
flat angles C4'-P-C4' energy: -101.973
flat angles P-C4'-P energy: -72.501
tors. eta vs tors. theta energy: -136.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1450.731963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.731963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.731963 (E_RNA)
where:
Base-Base interactions energy: -995.508
where: short stacking energy: -436.099
Base-Backbone interact. energy: -0.707
local terms energy: -454.517478
where:
bonds (distance) C4'-P energy: -82.951
bonds (distance) P-C4' energy: -74.316
flat angles C4'-P-C4' energy: -107.361
flat angles P-C4'-P energy: -71.313
tors. eta vs tors. theta energy: -118.577
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: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1385.763187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.763187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.763187 (E_RNA)
where:
Base-Base interactions energy: -961.091
where: short stacking energy: -418.912
Base-Backbone interact. energy: 3.943
local terms energy: -428.614635
where:
bonds (distance) C4'-P energy: -88.550
bonds (distance) P-C4' energy: -82.465
flat angles C4'-P-C4' energy: -87.919
flat angles P-C4'-P energy: -54.218
tors. eta vs tors. theta energy: -115.463
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: 293
Temperature: 1.300000
Total energy: -877.031917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.031917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.031917 (E_RNA)
where:
Base-Base interactions energy: -565.001
where: short stacking energy: -253.770
Base-Backbone interact. energy: -0.149
local terms energy: -311.882493
where:
bonds (distance) C4'-P energy: -67.178
bonds (distance) P-C4' energy: -81.826
flat angles C4'-P-C4' energy: -89.266
flat angles P-C4'-P energy: -32.048
tors. eta vs tors. theta energy: -41.565
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: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -858.511060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.511060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.511060 (E_RNA)
where:
Base-Base interactions energy: -548.444
where: short stacking energy: -241.527
Base-Backbone interact. energy: -2.557
local terms energy: -307.510172
where:
bonds (distance) C4'-P energy: -72.401
bonds (distance) P-C4' energy: -73.651
flat angles C4'-P-C4' energy: -77.193
flat angles P-C4'-P energy: -45.635
tors. eta vs tors. theta energy: -38.631
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: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1849.158975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.158975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.158975 (E_RNA)
where:
Base-Base interactions energy: -1305.731
where: short stacking energy: -529.758
Base-Backbone interact. energy: -0.978
local terms energy: -542.450564
where:
bonds (distance) C4'-P energy: -92.157
bonds (distance) P-C4' energy: -96.931
flat angles C4'-P-C4' energy: -118.637
flat angles P-C4'-P energy: -77.453
tors. eta vs tors. theta energy: -157.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1800.063173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.063173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.063173 (E_RNA)
where:
Base-Base interactions energy: -1247.756
where: short stacking energy: -533.120
Base-Backbone interact. energy: -1.586
local terms energy: -550.721308
where:
bonds (distance) C4'-P energy: -97.958
bonds (distance) P-C4' energy: -106.754
flat angles C4'-P-C4' energy: -112.769
flat angles P-C4'-P energy: -72.121
tors. eta vs tors. theta energy: -161.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1774.649549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.649549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.649549 (E_RNA)
where:
Base-Base interactions energy: -1278.471
where: short stacking energy: -527.550
Base-Backbone interact. energy: 2.629
local terms energy: -498.807486
where:
bonds (distance) C4'-P energy: -78.949
bonds (distance) P-C4' energy: -84.775
flat angles C4'-P-C4' energy: -115.892
flat angles P-C4'-P energy: -63.889
tors. eta vs tors. theta energy: -155.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1707.739960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.739960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.739960 (E_RNA)
where:
Base-Base interactions energy: -1186.086
where: short stacking energy: -515.003
Base-Backbone interact. energy: -2.445
local terms energy: -519.208511
where:
bonds (distance) C4'-P energy: -96.111
bonds (distance) P-C4' energy: -88.809
flat angles C4'-P-C4' energy: -109.827
flat angles P-C4'-P energy: -69.287
tors. eta vs tors. theta energy: -155.174
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: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1571.574262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.574262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.574262 (E_RNA)
where:
Base-Base interactions energy: -1076.358
where: short stacking energy: -448.441
Base-Backbone interact. energy: -0.426
local terms energy: -494.789749
where:
bonds (distance) C4'-P energy: -91.416
bonds (distance) P-C4' energy: -85.728
flat angles C4'-P-C4' energy: -115.210
flat angles P-C4'-P energy: -77.637
tors. eta vs tors. theta energy: -124.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1584.952793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.952793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.952793 (E_RNA)
where:
Base-Base interactions energy: -1117.733
where: short stacking energy: -467.325
Base-Backbone interact. energy: 0.187
local terms energy: -467.406764
where:
bonds (distance) C4'-P energy: -74.578
bonds (distance) P-C4' energy: -81.575
flat angles C4'-P-C4' energy: -98.767
flat angles P-C4'-P energy: -75.528
tors. eta vs tors. theta energy: -136.959
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: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1450.071904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.071904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.071904 (E_RNA)
where:
Base-Base interactions energy: -999.795
where: short stacking energy: -422.518
Base-Backbone interact. energy: -0.392
local terms energy: -449.885446
where:
bonds (distance) C4'-P energy: -91.810
bonds (distance) P-C4' energy: -89.755
flat angles C4'-P-C4' energy: -89.007
flat angles P-C4'-P energy: -73.264
tors. eta vs tors. theta energy: -106.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1371.595263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.595263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.595263 (E_RNA)
where:
Base-Base interactions energy: -954.689
where: short stacking energy: -429.947
Base-Backbone interact. energy: 3.854
local terms energy: -420.760779
where:
bonds (distance) C4'-P energy: -70.892
bonds (distance) P-C4' energy: -75.550
flat angles C4'-P-C4' energy: -100.367
flat angles P-C4'-P energy: -61.745
tors. eta vs tors. theta energy: -112.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -883.447414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.447414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.447414 (E_RNA)
where:
Base-Base interactions energy: -577.619
where: short stacking energy: -262.166
Base-Backbone interact. energy: 1.288
local terms energy: -307.116731
where:
bonds (distance) C4'-P energy: -60.297
bonds (distance) P-C4' energy: -87.522
flat angles C4'-P-C4' energy: -86.892
flat angles P-C4'-P energy: -42.656
tors. eta vs tors. theta energy: -29.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -781.915853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.915853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.915853 (E_RNA)
where:
Base-Base interactions energy: -481.949
where: short stacking energy: -219.430
Base-Backbone interact. energy: -2.102
local terms energy: -297.864884
where:
bonds (distance) C4'-P energy: -70.933
bonds (distance) P-C4' energy: -80.945
flat angles C4'-P-C4' energy: -66.790
flat angles P-C4'-P energy: -53.186
tors. eta vs tors. theta energy: -26.011
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: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1851.675096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.675096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.675096 (E_RNA)
where:
Base-Base interactions energy: -1281.676
where: short stacking energy: -541.193
Base-Backbone interact. energy: -4.375
local terms energy: -565.623538
where:
bonds (distance) C4'-P energy: -95.261
bonds (distance) P-C4' energy: -98.929
flat angles C4'-P-C4' energy: -123.953
flat angles P-C4'-P energy: -87.428
tors. eta vs tors. theta energy: -160.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1822.966049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.966049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.966049 (E_RNA)
where:
Base-Base interactions energy: -1278.784
where: short stacking energy: -541.327
Base-Backbone interact. energy: -0.584
local terms energy: -543.597925
where:
bonds (distance) C4'-P energy: -85.346
bonds (distance) P-C4' energy: -107.207
flat angles C4'-P-C4' energy: -111.520
flat angles P-C4'-P energy: -85.478
tors. eta vs tors. theta energy: -154.047
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: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1750.087383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.087383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.087383 (E_RNA)
where:
Base-Base interactions energy: -1225.229
where: short stacking energy: -519.444
Base-Backbone interact. energy: -0.724
local terms energy: -524.134159
where:
bonds (distance) C4'-P energy: -84.646
bonds (distance) P-C4' energy: -105.645
flat angles C4'-P-C4' energy: -103.816
flat angles P-C4'-P energy: -73.454
tors. eta vs tors. theta energy: -156.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1710.762784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.762784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.762784 (E_RNA)
where:
Base-Base interactions energy: -1181.226
where: short stacking energy: -502.498
Base-Backbone interact. energy: -1.733
local terms energy: -527.803808
where:
bonds (distance) C4'-P energy: -95.067
bonds (distance) P-C4' energy: -93.568
flat angles C4'-P-C4' energy: -110.254
flat angles P-C4'-P energy: -79.544
tors. eta vs tors. theta energy: -149.372
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: 295
Temperature: 1.100000
Total energy: -1582.347951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.347951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.347951 (E_RNA)
where:
Base-Base interactions energy: -1107.053
where: short stacking energy: -472.730
Base-Backbone interact. energy: -2.454
local terms energy: -472.840557
where:
bonds (distance) C4'-P energy: -89.631
bonds (distance) P-C4' energy: -79.570
flat angles C4'-P-C4' energy: -105.578
flat angles P-C4'-P energy: -66.486
tors. eta vs tors. theta energy: -131.575
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: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1567.364647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.364647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.364647 (E_RNA)
where:
Base-Base interactions energy: -1110.662
where: short stacking energy: -466.431
Base-Backbone interact. energy: -3.862
local terms energy: -452.840614
where:
bonds (distance) C4'-P energy: -71.427
bonds (distance) P-C4' energy: -89.426
flat angles C4'-P-C4' energy: -102.768
flat angles P-C4'-P energy: -62.518
tors. eta vs tors. theta energy: -126.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1442.103054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.103054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.103054 (E_RNA)
where:
Base-Base interactions energy: -1009.087
where: short stacking energy: -423.699
Base-Backbone interact. energy: -0.724
local terms energy: -432.292436
where:
bonds (distance) C4'-P energy: -77.289
bonds (distance) P-C4' energy: -87.995
flat angles C4'-P-C4' energy: -95.940
flat angles P-C4'-P energy: -56.845
tors. eta vs tors. theta energy: -114.224
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: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1328.339804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.339804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.339804 (E_RNA)
where:
Base-Base interactions energy: -931.968
where: short stacking energy: -379.291
Base-Backbone interact. energy: -0.097
local terms energy: -396.275116
where:
bonds (distance) C4'-P energy: -65.886
bonds (distance) P-C4' energy: -83.060
flat angles C4'-P-C4' energy: -99.962
flat angles P-C4'-P energy: -55.540
tors. eta vs tors. theta energy: -91.827
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: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -926.542396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.542396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.542396 (E_RNA)
where:
Base-Base interactions energy: -594.104
where: short stacking energy: -289.939
Base-Backbone interact. energy: -2.710
local terms energy: -329.729036
where:
bonds (distance) C4'-P energy: -75.104
bonds (distance) P-C4' energy: -81.594
flat angles C4'-P-C4' energy: -74.231
flat angles P-C4'-P energy: -42.805
tors. eta vs tors. theta energy: -55.995
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: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -765.110428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.110428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.110428 (E_RNA)
where:
Base-Base interactions energy: -466.763
where: short stacking energy: -203.840
Base-Backbone interact. energy: 1.920
local terms energy: -300.267151
where:
bonds (distance) C4'-P energy: -86.407
bonds (distance) P-C4' energy: -75.970
flat angles C4'-P-C4' energy: -74.877
flat angles P-C4'-P energy: -42.404
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1843.913133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.913133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.913133 (E_RNA)
where:
Base-Base interactions energy: -1288.191
where: short stacking energy: -563.703
Base-Backbone interact. energy: -1.740
local terms energy: -553.981858
where:
bonds (distance) C4'-P energy: -98.362
bonds (distance) P-C4' energy: -106.449
flat angles C4'-P-C4' energy: -116.452
flat angles P-C4'-P energy: -72.757
tors. eta vs tors. theta energy: -159.962
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: 296
Temperature: 0.950000
Total energy: -1815.385576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.385576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.385576 (E_RNA)
where:
Base-Base interactions energy: -1280.006
where: short stacking energy: -531.005
Base-Backbone interact. energy: -0.141
local terms energy: -535.238531
where:
bonds (distance) C4'-P energy: -92.620
bonds (distance) P-C4' energy: -98.107
flat angles C4'-P-C4' energy: -114.726
flat angles P-C4'-P energy: -74.235
tors. eta vs tors. theta energy: -155.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1769.488199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.488199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.488199 (E_RNA)
where:
Base-Base interactions energy: -1245.272
where: short stacking energy: -520.029
Base-Backbone interact. energy: -1.318
local terms energy: -522.898482
where:
bonds (distance) C4'-P energy: -97.095
bonds (distance) P-C4' energy: -95.717
flat angles C4'-P-C4' energy: -112.647
flat angles P-C4'-P energy: -63.585
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: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1708.672134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.672134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.672134 (E_RNA)
where:
Base-Base interactions energy: -1213.035
where: short stacking energy: -513.403
Base-Backbone interact. energy: -1.667
local terms energy: -493.970323
where:
bonds (distance) C4'-P energy: -73.442
bonds (distance) P-C4' energy: -85.075
flat angles C4'-P-C4' energy: -105.024
flat angles P-C4'-P energy: -78.543
tors. eta vs tors. theta energy: -151.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1620.219299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.219299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.219299 (E_RNA)
where:
Base-Base interactions energy: -1146.151
where: short stacking energy: -484.299
Base-Backbone interact. energy: -1.376
local terms energy: -472.692070
where:
bonds (distance) C4'-P energy: -74.258
bonds (distance) P-C4' energy: -81.555
flat angles C4'-P-C4' energy: -111.186
flat angles P-C4'-P energy: -71.352
tors. eta vs tors. theta energy: -134.341
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: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1559.255926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.255926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.255926 (E_RNA)
where:
Base-Base interactions energy: -1075.328
where: short stacking energy: -430.646
Base-Backbone interact. energy: -1.383
local terms energy: -482.545297
where:
bonds (distance) C4'-P energy: -102.510
bonds (distance) P-C4' energy: -92.933
flat angles C4'-P-C4' energy: -94.968
flat angles P-C4'-P energy: -65.108
tors. eta vs tors. theta energy: -127.026
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: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1387.850334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.850334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.850334 (E_RNA)
where:
Base-Base interactions energy: -951.247
where: short stacking energy: -420.610
Base-Backbone interact. energy: -3.857
local terms energy: -432.746633
where:
bonds (distance) C4'-P energy: -84.703
bonds (distance) P-C4' energy: -82.861
flat angles C4'-P-C4' energy: -97.783
flat angles P-C4'-P energy: -58.083
tors. eta vs tors. theta energy: -109.318
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: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1445.521966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.521966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.521966 (E_RNA)
where:
Base-Base interactions energy: -1006.716
where: short stacking energy: -402.345
Base-Backbone interact. energy: -0.416
local terms energy: -438.390402
where:
bonds (distance) C4'-P energy: -86.702
bonds (distance) P-C4' energy: -76.320
flat angles C4'-P-C4' energy: -102.467
flat angles P-C4'-P energy: -58.189
tors. eta vs tors. theta energy: -114.713
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: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -903.867242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.867242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.867242 (E_RNA)
where:
Base-Base interactions energy: -552.051
where: short stacking energy: -243.214
Base-Backbone interact. energy: 0.502
local terms energy: -352.317714
where:
bonds (distance) C4'-P energy: -76.111
bonds (distance) P-C4' energy: -91.411
flat angles C4'-P-C4' energy: -90.798
flat angles P-C4'-P energy: -62.189
tors. eta vs tors. theta energy: -31.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -795.441219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.441219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.441219 (E_RNA)
where:
Base-Base interactions energy: -477.302
where: short stacking energy: -210.354
Base-Backbone interact. energy: 2.971
local terms energy: -321.110804
where:
bonds (distance) C4'-P energy: -75.206
bonds (distance) P-C4' energy: -82.748
flat angles C4'-P-C4' energy: -84.250
flat angles P-C4'-P energy: -43.811
tors. eta vs tors. theta energy: -35.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1837.566514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.566514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.566514 (E_RNA)
where:
Base-Base interactions energy: -1309.618
where: short stacking energy: -515.743
Base-Backbone interact. energy: -5.566
local terms energy: -522.382430
where:
bonds (distance) C4'-P energy: -99.228
bonds (distance) P-C4' energy: -105.517
flat angles C4'-P-C4' energy: -109.095
flat angles P-C4'-P energy: -62.653
tors. eta vs tors. theta energy: -145.890
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: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1819.328679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.328679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.328679 (E_RNA)
where:
Base-Base interactions energy: -1294.921
where: short stacking energy: -549.948
Base-Backbone interact. energy: -1.547
local terms energy: -522.860654
where:
bonds (distance) C4'-P energy: -87.780
bonds (distance) P-C4' energy: -89.886
flat angles C4'-P-C4' energy: -115.358
flat angles P-C4'-P energy: -70.023
tors. eta vs tors. theta energy: -159.814
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: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1784.429238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.429238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.429238 (E_RNA)
where:
Base-Base interactions energy: -1267.805
where: short stacking energy: -519.101
Base-Backbone interact. energy: -1.167
local terms energy: -515.457003
where:
bonds (distance) C4'-P energy: -85.087
bonds (distance) P-C4' energy: -86.999
flat angles C4'-P-C4' energy: -111.597
flat angles P-C4'-P energy: -75.674
tors. eta vs tors. theta energy: -156.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1692.040697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.040697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.040697 (E_RNA)
where:
Base-Base interactions energy: -1199.891
where: short stacking energy: -482.198
Base-Backbone interact. energy: -0.886
local terms energy: -491.263622
where:
bonds (distance) C4'-P energy: -82.946
bonds (distance) P-C4' energy: -98.407
flat angles C4'-P-C4' energy: -104.011
flat angles P-C4'-P energy: -66.708
tors. eta vs tors. theta energy: -139.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1583.155675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.155675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.155675 (E_RNA)
where:
Base-Base interactions energy: -1121.840
where: short stacking energy: -460.337
Base-Backbone interact. energy: 2.273
local terms energy: -463.588639
where:
bonds (distance) C4'-P energy: -85.379
bonds (distance) P-C4' energy: -88.771
flat angles C4'-P-C4' energy: -98.048
flat angles P-C4'-P energy: -66.147
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: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1524.384210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.384210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.384210 (E_RNA)
where:
Base-Base interactions energy: -1057.591
where: short stacking energy: -444.562
Base-Backbone interact. energy: -1.938
local terms energy: -464.855283
where:
bonds (distance) C4'-P energy: -88.216
bonds (distance) P-C4' energy: -82.291
flat angles C4'-P-C4' energy: -101.006
flat angles P-C4'-P energy: -58.403
tors. eta vs tors. theta energy: -134.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1377.834730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.834730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.834730 (E_RNA)
where:
Base-Base interactions energy: -976.646
where: short stacking energy: -409.007
Base-Backbone interact. energy: -0.990
local terms energy: -400.198996
where:
bonds (distance) C4'-P energy: -65.987
bonds (distance) P-C4' energy: -75.663
flat angles C4'-P-C4' energy: -90.682
flat angles P-C4'-P energy: -59.970
tors. eta vs tors. theta energy: -107.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1412.816051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.816051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.816051 (E_RNA)
where:
Base-Base interactions energy: -995.832
where: short stacking energy: -408.696
Base-Backbone interact. energy: -0.945
local terms energy: -416.039078
where:
bonds (distance) C4'-P energy: -88.594
bonds (distance) P-C4' energy: -69.057
flat angles C4'-P-C4' energy: -85.939
flat angles P-C4'-P energy: -63.013
tors. eta vs tors. theta energy: -109.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -928.070943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.070943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.070943 (E_RNA)
where:
Base-Base interactions energy: -600.482
where: short stacking energy: -273.645
Base-Backbone interact. energy: -0.020
local terms energy: -327.568803
where:
bonds (distance) C4'-P energy: -75.363
bonds (distance) P-C4' energy: -85.826
flat angles C4'-P-C4' energy: -61.803
flat angles P-C4'-P energy: -47.994
tors. eta vs tors. theta energy: -56.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -825.617303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.617303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.617303 (E_RNA)
where:
Base-Base interactions energy: -498.176
where: short stacking energy: -213.248
Base-Backbone interact. energy: -3.436
local terms energy: -324.005540
where:
bonds (distance) C4'-P energy: -85.950
bonds (distance) P-C4' energy: -79.704
flat angles C4'-P-C4' energy: -84.490
flat angles P-C4'-P energy: -48.809
tors. eta vs tors. theta energy: -25.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1844.440835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.440835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.440835 (E_RNA)
where:
Base-Base interactions energy: -1283.842
where: short stacking energy: -535.209
Base-Backbone interact. energy: -2.133
local terms energy: -558.465670
where:
bonds (distance) C4'-P energy: -97.227
bonds (distance) P-C4' energy: -103.387
flat angles C4'-P-C4' energy: -115.844
flat angles P-C4'-P energy: -85.395
tors. eta vs tors. theta energy: -156.612
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: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1784.816694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.816694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.816694 (E_RNA)
where:
Base-Base interactions energy: -1255.530
where: short stacking energy: -521.239
Base-Backbone interact. energy: -0.843
local terms energy: -528.444106
where:
bonds (distance) C4'-P energy: -93.477
bonds (distance) P-C4' energy: -96.511
flat angles C4'-P-C4' energy: -115.909
flat angles P-C4'-P energy: -74.499
tors. eta vs tors. theta energy: -148.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1788.391062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.391062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.391062 (E_RNA)
where:
Base-Base interactions energy: -1247.877
where: short stacking energy: -558.412
Base-Backbone interact. energy: -0.724
local terms energy: -539.790397
where:
bonds (distance) C4'-P energy: -96.378
bonds (distance) P-C4' energy: -82.691
flat angles C4'-P-C4' energy: -120.679
flat angles P-C4'-P energy: -77.585
tors. eta vs tors. theta energy: -162.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1776.494878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.494878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.494878 (E_RNA)
where:
Base-Base interactions energy: -1241.471
where: short stacking energy: -529.992
Base-Backbone interact. energy: -1.161
local terms energy: -533.862429
where:
bonds (distance) C4'-P energy: -90.688
bonds (distance) P-C4' energy: -97.374
flat angles C4'-P-C4' energy: -114.521
flat angles P-C4'-P energy: -74.361
tors. eta vs tors. theta energy: -156.919
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: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1616.925421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.925421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.925421 (E_RNA)
where:
Base-Base interactions energy: -1126.208
where: short stacking energy: -463.862
Base-Backbone interact. energy: -0.330
local terms energy: -490.387134
where:
bonds (distance) C4'-P energy: -92.727
bonds (distance) P-C4' energy: -84.312
flat angles C4'-P-C4' energy: -100.158
flat angles P-C4'-P energy: -73.745
tors. eta vs tors. theta energy: -139.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1563.792858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.792858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.792858 (E_RNA)
where:
Base-Base interactions energy: -1096.815
where: short stacking energy: -472.795
Base-Backbone interact. energy: -3.562
local terms energy: -463.415764
where:
bonds (distance) C4'-P energy: -81.625
bonds (distance) P-C4' energy: -88.986
flat angles C4'-P-C4' energy: -102.387
flat angles P-C4'-P energy: -55.005
tors. eta vs tors. theta energy: -135.413
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: 298
Temperature: 1.200000
Total energy: -1396.504667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.504667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.504667 (E_RNA)
where:
Base-Base interactions energy: -974.787
where: short stacking energy: -406.614
Base-Backbone interact. energy: -1.088
local terms energy: -420.630389
where:
bonds (distance) C4'-P energy: -88.372
bonds (distance) P-C4' energy: -58.442
flat angles C4'-P-C4' energy: -93.683
flat angles P-C4'-P energy: -75.734
tors. eta vs tors. theta energy: -104.400
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: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1380.155119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.155119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.155119 (E_RNA)
where:
Base-Base interactions energy: -973.411
where: short stacking energy: -385.762
Base-Backbone interact. energy: -2.213
local terms energy: -404.531649
where:
bonds (distance) C4'-P energy: -76.857
bonds (distance) P-C4' energy: -87.184
flat angles C4'-P-C4' energy: -79.616
flat angles P-C4'-P energy: -49.195
tors. eta vs tors. theta energy: -111.679
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: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -917.021245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.021245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.021245 (E_RNA)
where:
Base-Base interactions energy: -564.577
where: short stacking energy: -256.544
Base-Backbone interact. energy: -1.427
local terms energy: -351.017663
where:
bonds (distance) C4'-P energy: -78.633
bonds (distance) P-C4' energy: -98.371
flat angles C4'-P-C4' energy: -80.407
flat angles P-C4'-P energy: -52.864
tors. eta vs tors. theta energy: -40.743
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: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -757.607058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.607058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.607058 (E_RNA)
where:
Base-Base interactions energy: -470.369
where: short stacking energy: -217.493
Base-Backbone interact. energy: -1.638
local terms energy: -285.600008
where:
bonds (distance) C4'-P energy: -72.018
bonds (distance) P-C4' energy: -82.108
flat angles C4'-P-C4' energy: -70.218
flat angles P-C4'-P energy: -38.377
tors. eta vs tors. theta energy: -22.879
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: 6
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1842.915597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.915597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.915597 (E_RNA)
where:
Base-Base interactions energy: -1286.668
where: short stacking energy: -528.366
Base-Backbone interact. energy: -2.988
local terms energy: -553.260188
where:
bonds (distance) C4'-P energy: -88.221
bonds (distance) P-C4' energy: -106.380
flat angles C4'-P-C4' energy: -118.639
flat angles P-C4'-P energy: -83.440
tors. eta vs tors. theta energy: -156.580
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: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1795.394179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.394179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.394179 (E_RNA)
where:
Base-Base interactions energy: -1268.754
where: short stacking energy: -535.488
Base-Backbone interact. energy: -0.795
local terms energy: -525.844670
where:
bonds (distance) C4'-P energy: -90.340
bonds (distance) P-C4' energy: -97.964
flat angles C4'-P-C4' energy: -105.753
flat angles P-C4'-P energy: -79.565
tors. eta vs tors. theta energy: -152.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1777.334609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.334609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.334609 (E_RNA)
where:
Base-Base interactions energy: -1247.600
where: short stacking energy: -519.440
Base-Backbone interact. energy: -0.213
local terms energy: -529.521435
where:
bonds (distance) C4'-P energy: -88.381
bonds (distance) P-C4' energy: -101.735
flat angles C4'-P-C4' energy: -112.681
flat angles P-C4'-P energy: -75.458
tors. eta vs tors. theta energy: -151.266
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: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1762.100992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.100992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.100992 (E_RNA)
where:
Base-Base interactions energy: -1238.459
where: short stacking energy: -513.511
Base-Backbone interact. energy: -1.576
local terms energy: -522.066068
where:
bonds (distance) C4'-P energy: -81.090
bonds (distance) P-C4' energy: -104.346
flat angles C4'-P-C4' energy: -106.080
flat angles P-C4'-P energy: -77.190
tors. eta vs tors. theta energy: -153.360
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: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1610.523294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.523294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.523294 (E_RNA)
where:
Base-Base interactions energy: -1113.404
where: short stacking energy: -468.607
Base-Backbone interact. energy: -0.556
local terms energy: -496.564044
where:
bonds (distance) C4'-P energy: -89.546
bonds (distance) P-C4' energy: -86.339
flat angles C4'-P-C4' energy: -105.068
flat angles P-C4'-P energy: -73.429
tors. eta vs tors. theta energy: -142.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1543.313546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.313546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.313546 (E_RNA)
where:
Base-Base interactions energy: -1076.687
where: short stacking energy: -436.521
Base-Backbone interact. energy: -1.207
local terms energy: -465.419902
where:
bonds (distance) C4'-P energy: -72.841
bonds (distance) P-C4' energy: -93.192
flat angles C4'-P-C4' energy: -105.341
flat angles P-C4'-P energy: -66.941
tors. eta vs tors. theta energy: -127.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1381.881417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.881417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.881417 (E_RNA)
where:
Base-Base interactions energy: -969.632
where: short stacking energy: -407.136
Base-Backbone interact. energy: -1.576
local terms energy: -410.673681
where:
bonds (distance) C4'-P energy: -62.505
bonds (distance) P-C4' energy: -77.875
flat angles C4'-P-C4' energy: -94.854
flat angles P-C4'-P energy: -68.957
tors. eta vs tors. theta energy: -106.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1359.304073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.304073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.304073 (E_RNA)
where:
Base-Base interactions energy: -943.819
where: short stacking energy: -391.399
Base-Backbone interact. energy: -1.768
local terms energy: -413.716700
where:
bonds (distance) C4'-P energy: -79.038
bonds (distance) P-C4' energy: -88.948
flat angles C4'-P-C4' energy: -82.682
flat angles P-C4'-P energy: -60.916
tors. eta vs tors. theta energy: -102.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -903.590256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.590256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.590256 (E_RNA)
where:
Base-Base interactions energy: -578.175
where: short stacking energy: -273.910
Base-Backbone interact. energy: 3.401
local terms energy: -328.816301
where:
bonds (distance) C4'-P energy: -73.612
bonds (distance) P-C4' energy: -85.801
flat angles C4'-P-C4' energy: -69.145
flat angles P-C4'-P energy: -43.282
tors. eta vs tors. theta energy: -56.976
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: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -797.783024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.783024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.783024 (E_RNA)
where:
Base-Base interactions energy: -494.860
where: short stacking energy: -226.027
Base-Backbone interact. energy: 1.342
local terms energy: -304.265375
where:
bonds (distance) C4'-P energy: -69.041
bonds (distance) P-C4' energy: -97.042
flat angles C4'-P-C4' energy: -86.052
flat angles P-C4'-P energy: -33.710
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1845.587859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.587859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.587859 (E_RNA)
where:
Base-Base interactions energy: -1313.578
where: short stacking energy: -525.138
Base-Backbone interact. energy: -2.641
local terms energy: -529.369513
where:
bonds (distance) C4'-P energy: -99.887
bonds (distance) P-C4' energy: -97.041
flat angles C4'-P-C4' energy: -106.220
flat angles P-C4'-P energy: -82.004
tors. eta vs tors. theta energy: -144.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1778.685822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.685822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.685822 (E_RNA)
where:
Base-Base interactions energy: -1271.685
where: short stacking energy: -527.919
Base-Backbone interact. energy: -2.752
local terms energy: -504.249365
where:
bonds (distance) C4'-P energy: -92.147
bonds (distance) P-C4' energy: -93.647
flat angles C4'-P-C4' energy: -114.433
flat angles P-C4'-P energy: -59.516
tors. eta vs tors. theta energy: -144.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1789.891250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.891250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.891250 (E_RNA)
where:
Base-Base interactions energy: -1251.693
where: short stacking energy: -528.158
Base-Backbone interact. energy: -3.909
local terms energy: -534.289046
where:
bonds (distance) C4'-P energy: -95.326
bonds (distance) P-C4' energy: -85.291
flat angles C4'-P-C4' energy: -116.554
flat angles P-C4'-P energy: -76.606
tors. eta vs tors. theta energy: -160.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1756.275005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.275005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.275005 (E_RNA)
where:
Base-Base interactions energy: -1247.776
where: short stacking energy: -527.549
Base-Backbone interact. energy: -0.715
local terms energy: -507.784142
where:
bonds (distance) C4'-P energy: -83.822
bonds (distance) P-C4' energy: -81.373
flat angles C4'-P-C4' energy: -118.577
flat angles P-C4'-P energy: -73.127
tors. eta vs tors. theta energy: -150.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1610.015104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.015104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.015104 (E_RNA)
where:
Base-Base interactions energy: -1120.092
where: short stacking energy: -485.274
Base-Backbone interact. energy: -0.992
local terms energy: -488.930868
where:
bonds (distance) C4'-P energy: -78.701
bonds (distance) P-C4' energy: -90.341
flat angles C4'-P-C4' energy: -102.418
flat angles P-C4'-P energy: -70.585
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: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1515.250324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.250324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.250324 (E_RNA)
where:
Base-Base interactions energy: -1071.120
where: short stacking energy: -437.559
Base-Backbone interact. energy: -3.975
local terms energy: -440.155486
where:
bonds (distance) C4'-P energy: -70.540
bonds (distance) P-C4' energy: -83.035
flat angles C4'-P-C4' energy: -101.131
flat angles P-C4'-P energy: -68.420
tors. eta vs tors. theta energy: -117.029
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: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1473.176193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.176193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.176193 (E_RNA)
where:
Base-Base interactions energy: -1006.188
where: short stacking energy: -415.675
Base-Backbone interact. energy: -1.082
local terms energy: -465.905885
where:
bonds (distance) C4'-P energy: -84.335
bonds (distance) P-C4' energy: -89.526
flat angles C4'-P-C4' energy: -102.672
flat angles P-C4'-P energy: -70.637
tors. eta vs tors. theta energy: -118.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1385.070274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.070274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.070274 (E_RNA)
where:
Base-Base interactions energy: -973.080
where: short stacking energy: -405.788
Base-Backbone interact. energy: -1.577
local terms energy: -410.412823
where:
bonds (distance) C4'-P energy: -58.413
bonds (distance) P-C4' energy: -81.391
flat angles C4'-P-C4' energy: -92.980
flat angles P-C4'-P energy: -70.393
tors. eta vs tors. theta energy: -107.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -909.805912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.805912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.805912 (E_RNA)
where:
Base-Base interactions energy: -583.910
where: short stacking energy: -278.636
Base-Backbone interact. energy: -0.155
local terms energy: -325.740606
where:
bonds (distance) C4'-P energy: -52.532
bonds (distance) P-C4' energy: -94.242
flat angles C4'-P-C4' energy: -77.052
flat angles P-C4'-P energy: -42.437
tors. eta vs tors. theta energy: -59.478
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: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -849.929128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.929128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.929128 (E_RNA)
where:
Base-Base interactions energy: -532.796
where: short stacking energy: -246.566
Base-Backbone interact. energy: 1.070
local terms energy: -318.203507
where:
bonds (distance) C4'-P energy: -70.799
bonds (distance) P-C4' energy: -79.013
flat angles C4'-P-C4' energy: -77.366
flat angles P-C4'-P energy: -44.684
tors. eta vs tors. theta energy: -46.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1850.996264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.996264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.996264 (E_RNA)
where:
Base-Base interactions energy: -1301.835
where: short stacking energy: -536.298
Base-Backbone interact. energy: 1.099
local terms energy: -550.260202
where:
bonds (distance) C4'-P energy: -98.531
bonds (distance) P-C4' energy: -100.464
flat angles C4'-P-C4' energy: -112.323
flat angles P-C4'-P energy: -83.890
tors. eta vs tors. theta energy: -155.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1808.220635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.220635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.220635 (E_RNA)
where:
Base-Base interactions energy: -1269.143
where: short stacking energy: -547.214
Base-Backbone interact. energy: -2.084
local terms energy: -536.994150
where:
bonds (distance) C4'-P energy: -89.049
bonds (distance) P-C4' energy: -105.013
flat angles C4'-P-C4' energy: -108.627
flat angles P-C4'-P energy: -77.362
tors. eta vs tors. theta energy: -156.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1759.541152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.541152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.541152 (E_RNA)
where:
Base-Base interactions energy: -1243.475
where: short stacking energy: -526.245
Base-Backbone interact. energy: -2.877
local terms energy: -513.189242
where:
bonds (distance) C4'-P energy: -99.721
bonds (distance) P-C4' energy: -79.522
flat angles C4'-P-C4' energy: -107.393
flat angles P-C4'-P energy: -72.502
tors. eta vs tors. theta energy: -154.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1751.060477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.060477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.060477 (E_RNA)
where:
Base-Base interactions energy: -1233.076
where: short stacking energy: -523.560
Base-Backbone interact. energy: -1.497
local terms energy: -516.486716
where:
bonds (distance) C4'-P energy: -84.506
bonds (distance) P-C4' energy: -95.074
flat angles C4'-P-C4' energy: -112.212
flat angles P-C4'-P energy: -74.494
tors. eta vs tors. theta energy: -150.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1580.802894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.802894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.802894 (E_RNA)
where:
Base-Base interactions energy: -1106.976
where: short stacking energy: -463.218
Base-Backbone interact. energy: 0.990
local terms energy: -474.817630
where:
bonds (distance) C4'-P energy: -79.176
bonds (distance) P-C4' energy: -90.904
flat angles C4'-P-C4' energy: -100.192
flat angles P-C4'-P energy: -75.171
tors. eta vs tors. theta energy: -129.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1506.598595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.598595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.598595 (E_RNA)
where:
Base-Base interactions energy: -1046.198
where: short stacking energy: -438.941
Base-Backbone interact. energy: -3.480
local terms energy: -456.920290
where:
bonds (distance) C4'-P energy: -82.247
bonds (distance) P-C4' energy: -94.629
flat angles C4'-P-C4' energy: -85.842
flat angles P-C4'-P energy: -68.078
tors. eta vs tors. theta energy: -126.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1432.217722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.217722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.217722 (E_RNA)
where:
Base-Base interactions energy: -1000.149
where: short stacking energy: -415.848
Base-Backbone interact. energy: 0.012
local terms energy: -432.079840
where:
bonds (distance) C4'-P energy: -89.895
bonds (distance) P-C4' energy: -80.897
flat angles C4'-P-C4' energy: -80.304
flat angles P-C4'-P energy: -68.171
tors. eta vs tors. theta energy: -112.813
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: 8, replica: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1327.044187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.044187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.044187 (E_RNA)
where:
Base-Base interactions energy: -901.454
where: short stacking energy: -372.626
Base-Backbone interact. energy: 0.213
local terms energy: -425.803139
where:
bonds (distance) C4'-P energy: -86.125
bonds (distance) P-C4' energy: -82.337
flat angles C4'-P-C4' energy: -91.035
flat angles P-C4'-P energy: -60.267
tors. eta vs tors. theta energy: -106.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -905.500009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.500009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.500009 (E_RNA)
where:
Base-Base interactions energy: -571.595
where: short stacking energy: -251.343
Base-Backbone interact. energy: -2.610
local terms energy: -331.294109
where:
bonds (distance) C4'-P energy: -85.279
bonds (distance) P-C4' energy: -74.923
flat angles C4'-P-C4' energy: -79.974
flat angles P-C4'-P energy: -50.340
tors. eta vs tors. theta energy: -40.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -815.143606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.143606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.143606 (E_RNA)
where:
Base-Base interactions energy: -527.622
where: short stacking energy: -245.324
Base-Backbone interact. energy: 0.372
local terms energy: -287.893406
where:
bonds (distance) C4'-P energy: -70.152
bonds (distance) P-C4' energy: -86.238
flat angles C4'-P-C4' energy: -64.441
flat angles P-C4'-P energy: -39.087
tors. eta vs tors. theta energy: -27.975
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: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1870.231895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.231895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.231895 (E_RNA)
where:
Base-Base interactions energy: -1335.587
where: short stacking energy: -546.088
Base-Backbone interact. energy: -3.321
local terms energy: -531.324288
where:
bonds (distance) C4'-P energy: -87.395
bonds (distance) P-C4' energy: -91.392
flat angles C4'-P-C4' energy: -118.593
flat angles P-C4'-P energy: -79.261
tors. eta vs tors. theta energy: -154.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1803.217696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.217696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.217696 (E_RNA)
where:
Base-Base interactions energy: -1282.115
where: short stacking energy: -537.099
Base-Backbone interact. energy: -2.430
local terms energy: -518.673247
where:
bonds (distance) C4'-P energy: -93.773
bonds (distance) P-C4' energy: -89.909
flat angles C4'-P-C4' energy: -99.279
flat angles P-C4'-P energy: -71.301
tors. eta vs tors. theta energy: -164.410
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: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1785.649476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.649476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.649476 (E_RNA)
where:
Base-Base interactions energy: -1242.736
where: short stacking energy: -525.195
Base-Backbone interact. energy: -1.637
local terms energy: -541.276557
where:
bonds (distance) C4'-P energy: -89.633
bonds (distance) P-C4' energy: -94.478
flat angles C4'-P-C4' energy: -121.628
flat angles P-C4'-P energy: -73.948
tors. eta vs tors. theta energy: -161.589
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: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1702.725946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.725946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.725946 (E_RNA)
where:
Base-Base interactions energy: -1208.837
where: short stacking energy: -507.175
Base-Backbone interact. energy: -2.135
local terms energy: -491.754638
where:
bonds (distance) C4'-P energy: -80.200
bonds (distance) P-C4' energy: -86.108
flat angles C4'-P-C4' energy: -110.534
flat angles P-C4'-P energy: -68.671
tors. eta vs tors. theta energy: -146.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1590.242399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.242399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.242399 (E_RNA)
where:
Base-Base interactions energy: -1104.639
where: short stacking energy: -460.790
Base-Backbone interact. energy: 0.293
local terms energy: -485.896452
where:
bonds (distance) C4'-P energy: -72.975
bonds (distance) P-C4' energy: -96.153
flat angles C4'-P-C4' energy: -114.214
flat angles P-C4'-P energy: -71.915
tors. eta vs tors. theta energy: -130.640
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: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1478.864731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.864731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.864731 (E_RNA)
where:
Base-Base interactions energy: -1030.058
where: short stacking energy: -421.756
Base-Backbone interact. energy: 2.072
local terms energy: -450.878830
where:
bonds (distance) C4'-P energy: -79.069
bonds (distance) P-C4' energy: -85.604
flat angles C4'-P-C4' energy: -88.858
flat angles P-C4'-P energy: -72.538
tors. eta vs tors. theta energy: -124.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1434.655164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.655164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.655164 (E_RNA)
where:
Base-Base interactions energy: -995.429
where: short stacking energy: -416.652
Base-Backbone interact. energy: -1.221
local terms energy: -438.005137
where:
bonds (distance) C4'-P energy: -92.574
bonds (distance) P-C4' energy: -84.489
flat angles C4'-P-C4' energy: -89.221
flat angles P-C4'-P energy: -57.330
tors. eta vs tors. theta energy: -114.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1337.866843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.866843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.866843 (E_RNA)
where:
Base-Base interactions energy: -917.607
where: short stacking energy: -410.207
Base-Backbone interact. energy: 5.921
local terms energy: -426.180882
where:
bonds (distance) C4'-P energy: -77.258
bonds (distance) P-C4' energy: -68.947
flat angles C4'-P-C4' energy: -95.792
flat angles P-C4'-P energy: -74.817
tors. eta vs tors. theta energy: -109.367
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: 302
Temperature: 1.300000
Total energy: -846.419744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.419744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.419744 (E_RNA)
where:
Base-Base interactions energy: -515.047
where: short stacking energy: -222.851
Base-Backbone interact. energy: 3.492
local terms energy: -334.865134
where:
bonds (distance) C4'-P energy: -84.492
bonds (distance) P-C4' energy: -79.278
flat angles C4'-P-C4' energy: -85.776
flat angles P-C4'-P energy: -44.858
tors. eta vs tors. theta energy: -40.461
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: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -878.862403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.862403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.862403 (E_RNA)
where:
Base-Base interactions energy: -560.617
where: short stacking energy: -273.541
Base-Backbone interact. energy: 4.106
local terms energy: -322.351248
where:
bonds (distance) C4'-P energy: -73.038
bonds (distance) P-C4' energy: -76.004
flat angles C4'-P-C4' energy: -73.257
flat angles P-C4'-P energy: -51.443
tors. eta vs tors. theta energy: -48.608
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: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1873.092975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.092975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.092975 (E_RNA)
where:
Base-Base interactions energy: -1316.715
where: short stacking energy: -526.415
Base-Backbone interact. energy: -2.451
local terms energy: -553.927057
where:
bonds (distance) C4'-P energy: -105.407
bonds (distance) P-C4' energy: -97.983
flat angles C4'-P-C4' energy: -113.835
flat angles P-C4'-P energy: -84.000
tors. eta vs tors. theta energy: -152.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1782.743957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.743957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.743957 (E_RNA)
where:
Base-Base interactions energy: -1251.269
where: short stacking energy: -513.980
Base-Backbone interact. energy: -2.229
local terms energy: -529.245641
where:
bonds (distance) C4'-P energy: -97.096
bonds (distance) P-C4' energy: -90.602
flat angles C4'-P-C4' energy: -115.924
flat angles P-C4'-P energy: -69.230
tors. eta vs tors. theta energy: -156.393
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: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1778.702779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.702779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.702779 (E_RNA)
where:
Base-Base interactions energy: -1236.916
where: short stacking energy: -523.786
Base-Backbone interact. energy: 0.519
local terms energy: -542.305743
where:
bonds (distance) C4'-P energy: -98.512
bonds (distance) P-C4' energy: -87.595
flat angles C4'-P-C4' energy: -113.169
flat angles P-C4'-P energy: -85.521
tors. eta vs tors. theta energy: -157.509
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: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1688.576120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.576120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.576120 (E_RNA)
where:
Base-Base interactions energy: -1185.885
where: short stacking energy: -487.621
Base-Backbone interact. energy: -0.502
local terms energy: -502.189281
where:
bonds (distance) C4'-P energy: -87.374
bonds (distance) P-C4' energy: -101.042
flat angles C4'-P-C4' energy: -104.104
flat angles P-C4'-P energy: -67.776
tors. eta vs tors. theta energy: -141.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1577.507426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.507426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.507426 (E_RNA)
where:
Base-Base interactions energy: -1098.672
where: short stacking energy: -447.113
Base-Backbone interact. energy: -0.977
local terms energy: -477.858402
where:
bonds (distance) C4'-P energy: -81.543
bonds (distance) P-C4' energy: -90.569
flat angles C4'-P-C4' energy: -106.201
flat angles P-C4'-P energy: -77.582
tors. eta vs tors. theta energy: -121.963
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: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1499.846410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.846410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.846410 (E_RNA)
where:
Base-Base interactions energy: -1061.159
where: short stacking energy: -458.404
Base-Backbone interact. energy: -2.799
local terms energy: -435.887885
where:
bonds (distance) C4'-P energy: -74.999
bonds (distance) P-C4' energy: -89.197
flat angles C4'-P-C4' energy: -86.379
flat angles P-C4'-P energy: -59.063
tors. eta vs tors. theta energy: -126.251
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: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1446.894096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.894096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.894096 (E_RNA)
where:
Base-Base interactions energy: -1024.632
where: short stacking energy: -411.568
Base-Backbone interact. energy: -1.251
local terms energy: -421.010988
where:
bonds (distance) C4'-P energy: -78.872
bonds (distance) P-C4' energy: -75.973
flat angles C4'-P-C4' energy: -96.414
flat angles P-C4'-P energy: -54.500
tors. eta vs tors. theta energy: -115.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1370.194422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.194422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.194422 (E_RNA)
where:
Base-Base interactions energy: -949.929
where: short stacking energy: -396.045
Base-Backbone interact. energy: -3.271
local terms energy: -416.994263
where:
bonds (distance) C4'-P energy: -81.106
bonds (distance) P-C4' energy: -69.029
flat angles C4'-P-C4' energy: -102.563
flat angles P-C4'-P energy: -50.083
tors. eta vs tors. theta energy: -114.213
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: 303
Temperature: 1.300000
Total energy: -820.519524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.519524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.519524 (E_RNA)
where:
Base-Base interactions energy: -527.750
where: short stacking energy: -230.207
Base-Backbone interact. energy: 4.453
local terms energy: -297.222619
where:
bonds (distance) C4'-P energy: -85.043
bonds (distance) P-C4' energy: -73.087
flat angles C4'-P-C4' energy: -83.535
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -31.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -860.942688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.942688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.942688 (E_RNA)
where:
Base-Base interactions energy: -519.389
where: short stacking energy: -229.382
Base-Backbone interact. energy: 1.544
local terms energy: -343.097741
where:
bonds (distance) C4'-P energy: -76.536
bonds (distance) P-C4' energy: -87.139
flat angles C4'-P-C4' energy: -76.626
flat angles P-C4'-P energy: -55.622
tors. eta vs tors. theta energy: -47.174
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: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1879.155322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.155322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.155322 (E_RNA)
where:
Base-Base interactions energy: -1334.089
where: short stacking energy: -553.848
Base-Backbone interact. energy: -2.517
local terms energy: -542.549070
where:
bonds (distance) C4'-P energy: -89.057
bonds (distance) P-C4' energy: -100.421
flat angles C4'-P-C4' energy: -110.023
flat angles P-C4'-P energy: -87.967
tors. eta vs tors. theta energy: -155.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1802.902508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.902508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.902508 (E_RNA)
where:
Base-Base interactions energy: -1263.902
where: short stacking energy: -527.837
Base-Backbone interact. energy: 0.157
local terms energy: -539.157665
where:
bonds (distance) C4'-P energy: -100.785
bonds (distance) P-C4' energy: -94.214
flat angles C4'-P-C4' energy: -108.182
flat angles P-C4'-P energy: -80.949
tors. eta vs tors. theta energy: -155.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1769.753087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.753087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.753087 (E_RNA)
where:
Base-Base interactions energy: -1246.274
where: short stacking energy: -526.042
Base-Backbone interact. energy: -1.514
local terms energy: -521.964855
where:
bonds (distance) C4'-P energy: -98.013
bonds (distance) P-C4' energy: -87.807
flat angles C4'-P-C4' energy: -105.341
flat angles P-C4'-P energy: -76.031
tors. eta vs tors. theta energy: -154.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1714.683479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.683479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.683479 (E_RNA)
where:
Base-Base interactions energy: -1208.001
where: short stacking energy: -509.934
Base-Backbone interact. energy: -0.076
local terms energy: -506.606892
where:
bonds (distance) C4'-P energy: -91.070
bonds (distance) P-C4' energy: -82.714
flat angles C4'-P-C4' energy: -107.758
flat angles P-C4'-P energy: -77.839
tors. eta vs tors. theta energy: -147.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1585.265069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.265069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.265069 (E_RNA)
where:
Base-Base interactions energy: -1108.656
where: short stacking energy: -467.019
Base-Backbone interact. energy: -3.794
local terms energy: -472.815212
where:
bonds (distance) C4'-P energy: -79.323
bonds (distance) P-C4' energy: -89.365
flat angles C4'-P-C4' energy: -105.355
flat angles P-C4'-P energy: -72.983
tors. eta vs tors. theta energy: -125.789
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: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1473.695054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.695054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.695054 (E_RNA)
where:
Base-Base interactions energy: -1028.895
where: short stacking energy: -419.750
Base-Backbone interact. energy: -1.381
local terms energy: -443.419957
where:
bonds (distance) C4'-P energy: -85.944
bonds (distance) P-C4' energy: -80.322
flat angles C4'-P-C4' energy: -90.443
flat angles P-C4'-P energy: -65.863
tors. eta vs tors. theta energy: -120.848
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: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1418.290082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.290082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.290082 (E_RNA)
where:
Base-Base interactions energy: -985.735
where: short stacking energy: -426.335
Base-Backbone interact. energy: 1.111
local terms energy: -433.666062
where:
bonds (distance) C4'-P energy: -69.456
bonds (distance) P-C4' energy: -91.129
flat angles C4'-P-C4' energy: -98.416
flat angles P-C4'-P energy: -50.174
tors. eta vs tors. theta energy: -124.492
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: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1365.666482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.666482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.666482 (E_RNA)
where:
Base-Base interactions energy: -944.167
where: short stacking energy: -395.604
Base-Backbone interact. energy: 1.993
local terms energy: -423.492551
where:
bonds (distance) C4'-P energy: -74.733
bonds (distance) P-C4' energy: -87.039
flat angles C4'-P-C4' energy: -89.449
flat angles P-C4'-P energy: -61.442
tors. eta vs tors. theta energy: -110.829
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: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -926.693359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.693359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.693359 (E_RNA)
where:
Base-Base interactions energy: -599.246
where: short stacking energy: -271.488
Base-Backbone interact. energy: -1.543
local terms energy: -325.903473
where:
bonds (distance) C4'-P energy: -68.603
bonds (distance) P-C4' energy: -85.832
flat angles C4'-P-C4' energy: -76.504
flat angles P-C4'-P energy: -41.126
tors. eta vs tors. theta energy: -53.839
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: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -859.190915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.190915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.190915 (E_RNA)
where:
Base-Base interactions energy: -547.112
where: short stacking energy: -261.676
Base-Backbone interact. energy: -1.560
local terms energy: -310.519281
where:
bonds (distance) C4'-P energy: -68.732
bonds (distance) P-C4' energy: -79.521
flat angles C4'-P-C4' energy: -76.090
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -43.388
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: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1856.824246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.824246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.824246 (E_RNA)
where:
Base-Base interactions energy: -1313.893
where: short stacking energy: -532.879
Base-Backbone interact. energy: -4.042
local terms energy: -538.888798
where:
bonds (distance) C4'-P energy: -100.874
bonds (distance) P-C4' energy: -87.940
flat angles C4'-P-C4' energy: -113.503
flat angles P-C4'-P energy: -82.135
tors. eta vs tors. theta energy: -154.436
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: 2, replica: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1817.615383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.615383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.615383 (E_RNA)
where:
Base-Base interactions energy: -1283.417
where: short stacking energy: -549.431
Base-Backbone interact. energy: -0.552
local terms energy: -533.645836
where:
bonds (distance) C4'-P energy: -87.514
bonds (distance) P-C4' energy: -95.127
flat angles C4'-P-C4' energy: -117.925
flat angles P-C4'-P energy: -78.221
tors. eta vs tors. theta energy: -154.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1779.127975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.127975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.127975 (E_RNA)
where:
Base-Base interactions energy: -1253.498
where: short stacking energy: -530.270
Base-Backbone interact. energy: -2.491
local terms energy: -523.138422
where:
bonds (distance) C4'-P energy: -86.036
bonds (distance) P-C4' energy: -88.957
flat angles C4'-P-C4' energy: -116.106
flat angles P-C4'-P energy: -77.316
tors. eta vs tors. theta energy: -154.723
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: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1704.593106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.593106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.593106 (E_RNA)
where:
Base-Base interactions energy: -1207.663
where: short stacking energy: -497.497
Base-Backbone interact. energy: -1.583
local terms energy: -495.346937
where:
bonds (distance) C4'-P energy: -81.845
bonds (distance) P-C4' energy: -79.887
flat angles C4'-P-C4' energy: -118.291
flat angles P-C4'-P energy: -77.331
tors. eta vs tors. theta energy: -137.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1614.985721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.985721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.985721 (E_RNA)
where:
Base-Base interactions energy: -1141.826
where: short stacking energy: -474.062
Base-Backbone interact. energy: -1.005
local terms energy: -472.154001
where:
bonds (distance) C4'-P energy: -70.955
bonds (distance) P-C4' energy: -96.750
flat angles C4'-P-C4' energy: -103.301
flat angles P-C4'-P energy: -73.548
tors. eta vs tors. theta energy: -127.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1546.480079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.480079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.480079 (E_RNA)
where:
Base-Base interactions energy: -1097.981
where: short stacking energy: -458.271
Base-Backbone interact. energy: -3.026
local terms energy: -445.472946
where:
bonds (distance) C4'-P energy: -79.478
bonds (distance) P-C4' energy: -73.404
flat angles C4'-P-C4' energy: -94.006
flat angles P-C4'-P energy: -70.758
tors. eta vs tors. theta energy: -127.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1415.557678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.557678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.557678 (E_RNA)
where:
Base-Base interactions energy: -963.673
where: short stacking energy: -416.501
Base-Backbone interact. energy: 0.077
local terms energy: -451.962274
where:
bonds (distance) C4'-P energy: -84.093
bonds (distance) P-C4' energy: -79.178
flat angles C4'-P-C4' energy: -106.995
flat angles P-C4'-P energy: -66.412
tors. eta vs tors. theta energy: -115.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1294.529295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.529295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.529295 (E_RNA)
where:
Base-Base interactions energy: -889.153
where: short stacking energy: -364.309
Base-Backbone interact. energy: 1.784
local terms energy: -407.160223
where:
bonds (distance) C4'-P energy: -82.409
bonds (distance) P-C4' energy: -70.002
flat angles C4'-P-C4' energy: -89.261
flat angles P-C4'-P energy: -68.915
tors. eta vs tors. theta energy: -96.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -923.618325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.618325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.618325 (E_RNA)
where:
Base-Base interactions energy: -608.977
where: short stacking energy: -291.436
Base-Backbone interact. energy: -0.445
local terms energy: -314.196328
where:
bonds (distance) C4'-P energy: -63.374
bonds (distance) P-C4' energy: -85.234
flat angles C4'-P-C4' energy: -74.305
flat angles P-C4'-P energy: -42.822
tors. eta vs tors. theta energy: -48.461
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: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -857.728784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.728784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.728784 (E_RNA)
where:
Base-Base interactions energy: -536.313
where: short stacking energy: -231.098
Base-Backbone interact. energy: 2.949
local terms energy: -324.364973
where:
bonds (distance) C4'-P energy: -88.717
bonds (distance) P-C4' energy: -75.947
flat angles C4'-P-C4' energy: -75.754
flat angles P-C4'-P energy: -49.929
tors. eta vs tors. theta energy: -34.019
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: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1844.369043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.369043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.369043 (E_RNA)
where:
Base-Base interactions energy: -1303.264
where: short stacking energy: -534.463
Base-Backbone interact. energy: -1.723
local terms energy: -539.382726
where:
bonds (distance) C4'-P energy: -93.186
bonds (distance) P-C4' energy: -105.949
flat angles C4'-P-C4' energy: -111.968
flat angles P-C4'-P energy: -73.481
tors. eta vs tors. theta energy: -154.799
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: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1766.700535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.700535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.700535 (E_RNA)
where:
Base-Base interactions energy: -1229.781
where: short stacking energy: -503.765
Base-Backbone interact. energy: -1.780
local terms energy: -535.139337
where:
bonds (distance) C4'-P energy: -94.712
bonds (distance) P-C4' energy: -99.187
flat angles C4'-P-C4' energy: -105.397
flat angles P-C4'-P energy: -81.675
tors. eta vs tors. theta energy: -154.168
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: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1733.185564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.185564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.185564 (E_RNA)
where:
Base-Base interactions energy: -1231.431
where: short stacking energy: -523.676
Base-Backbone interact. energy: -0.743
local terms energy: -501.012034
where:
bonds (distance) C4'-P energy: -93.208
bonds (distance) P-C4' energy: -88.893
flat angles C4'-P-C4' energy: -101.759
flat angles P-C4'-P energy: -67.167
tors. eta vs tors. theta energy: -149.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1740.501510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.501510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.501510 (E_RNA)
where:
Base-Base interactions energy: -1239.477
where: short stacking energy: -519.281
Base-Backbone interact. energy: -0.230
local terms energy: -500.794668
where:
bonds (distance) C4'-P energy: -93.250
bonds (distance) P-C4' energy: -81.763
flat angles C4'-P-C4' energy: -105.755
flat angles P-C4'-P energy: -70.051
tors. eta vs tors. theta energy: -149.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1561.349475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.349475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.349475 (E_RNA)
where:
Base-Base interactions energy: -1099.714
where: short stacking energy: -452.453
Base-Backbone interact. energy: 3.669
local terms energy: -465.303773
where:
bonds (distance) C4'-P energy: -79.702
bonds (distance) P-C4' energy: -91.187
flat angles C4'-P-C4' energy: -97.966
flat angles P-C4'-P energy: -71.803
tors. eta vs tors. theta energy: -124.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1575.985504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.985504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.985504 (E_RNA)
where:
Base-Base interactions energy: -1110.665
where: short stacking energy: -445.876
Base-Backbone interact. energy: -0.440
local terms energy: -464.879593
where:
bonds (distance) C4'-P energy: -78.679
bonds (distance) P-C4' energy: -85.176
flat angles C4'-P-C4' energy: -105.770
flat angles P-C4'-P energy: -61.440
tors. eta vs tors. theta energy: -133.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1364.373212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.373212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.373212 (E_RNA)
where:
Base-Base interactions energy: -928.601
where: short stacking energy: -401.205
Base-Backbone interact. energy: -1.603
local terms energy: -434.170066
where:
bonds (distance) C4'-P energy: -85.074
bonds (distance) P-C4' energy: -83.982
flat angles C4'-P-C4' energy: -89.194
flat angles P-C4'-P energy: -63.345
tors. eta vs tors. theta energy: -112.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1423.283008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.283008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.283008 (E_RNA)
where:
Base-Base interactions energy: -984.291
where: short stacking energy: -409.029
Base-Backbone interact. energy: -0.306
local terms energy: -438.685882
where:
bonds (distance) C4'-P energy: -78.711
bonds (distance) P-C4' energy: -78.972
flat angles C4'-P-C4' energy: -96.812
flat angles P-C4'-P energy: -65.758
tors. eta vs tors. theta energy: -118.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -927.962445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.962445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.962445 (E_RNA)
where:
Base-Base interactions energy: -585.167
where: short stacking energy: -260.680
Base-Backbone interact. energy: -2.348
local terms energy: -340.446720
where:
bonds (distance) C4'-P energy: -67.397
bonds (distance) P-C4' energy: -80.042
flat angles C4'-P-C4' energy: -94.743
flat angles P-C4'-P energy: -56.634
tors. eta vs tors. theta energy: -41.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -820.664992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.664992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.664992 (E_RNA)
where:
Base-Base interactions energy: -525.059
where: short stacking energy: -232.705
Base-Backbone interact. energy: 0.126
local terms energy: -295.731551
where:
bonds (distance) C4'-P energy: -63.050
bonds (distance) P-C4' energy: -84.520
flat angles C4'-P-C4' energy: -77.190
flat angles P-C4'-P energy: -38.671
tors. eta vs tors. theta energy: -32.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1852.720005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.720005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.720005 (E_RNA)
where:
Base-Base interactions energy: -1297.808
where: short stacking energy: -527.040
Base-Backbone interact. energy: -0.897
local terms energy: -554.015668
where:
bonds (distance) C4'-P energy: -113.093
bonds (distance) P-C4' energy: -96.373
flat angles C4'-P-C4' energy: -122.882
flat angles P-C4'-P energy: -74.276
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: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1768.842314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.842314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.842314 (E_RNA)
where:
Base-Base interactions energy: -1242.143
where: short stacking energy: -523.893
Base-Backbone interact. energy: -1.072
local terms energy: -525.627078
where:
bonds (distance) C4'-P energy: -85.019
bonds (distance) P-C4' energy: -97.640
flat angles C4'-P-C4' energy: -109.639
flat angles P-C4'-P energy: -82.757
tors. eta vs tors. theta energy: -150.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1744.146463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.146463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.146463 (E_RNA)
where:
Base-Base interactions energy: -1206.766
where: short stacking energy: -503.481
Base-Backbone interact. energy: -0.807
local terms energy: -536.573321
where:
bonds (distance) C4'-P energy: -103.176
bonds (distance) P-C4' energy: -97.478
flat angles C4'-P-C4' energy: -110.151
flat angles P-C4'-P energy: -81.931
tors. eta vs tors. theta energy: -143.837
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: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1726.678637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.678637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.678637 (E_RNA)
where:
Base-Base interactions energy: -1227.679
where: short stacking energy: -522.725
Base-Backbone interact. energy: -2.254
local terms energy: -496.745691
where:
bonds (distance) C4'-P energy: -77.685
bonds (distance) P-C4' energy: -100.136
flat angles C4'-P-C4' energy: -104.624
flat angles P-C4'-P energy: -59.713
tors. eta vs tors. theta energy: -154.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1567.239084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.239084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.239084 (E_RNA)
where:
Base-Base interactions energy: -1111.252
where: short stacking energy: -443.566
Base-Backbone interact. energy: 1.266
local terms energy: -457.252542
where:
bonds (distance) C4'-P energy: -90.230
bonds (distance) P-C4' energy: -84.192
flat angles C4'-P-C4' energy: -104.036
flat angles P-C4'-P energy: -52.594
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: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1535.516880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.516880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.516880 (E_RNA)
where:
Base-Base interactions energy: -1083.118
where: short stacking energy: -437.283
Base-Backbone interact. energy: -4.121
local terms energy: -448.278014
where:
bonds (distance) C4'-P energy: -81.609
bonds (distance) P-C4' energy: -89.810
flat angles C4'-P-C4' energy: -97.722
flat angles P-C4'-P energy: -57.407
tors. eta vs tors. theta energy: -121.731
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: 307
Temperature: 1.200000
Total energy: -1429.759704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.759704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.759704 (E_RNA)
where:
Base-Base interactions energy: -991.936
where: short stacking energy: -424.619
Base-Backbone interact. energy: 0.585
local terms energy: -438.408550
where:
bonds (distance) C4'-P energy: -85.132
bonds (distance) P-C4' energy: -89.412
flat angles C4'-P-C4' energy: -94.242
flat angles P-C4'-P energy: -62.974
tors. eta vs tors. theta energy: -106.648
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: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1410.771957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.771957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.771957 (E_RNA)
where:
Base-Base interactions energy: -985.096
where: short stacking energy: -438.627
Base-Backbone interact. energy: -0.152
local terms energy: -425.524252
where:
bonds (distance) C4'-P energy: -83.309
bonds (distance) P-C4' energy: -77.994
flat angles C4'-P-C4' energy: -91.852
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -125.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -910.273462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.273462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.273462 (E_RNA)
where:
Base-Base interactions energy: -559.311
where: short stacking energy: -275.487
Base-Backbone interact. energy: -0.470
local terms energy: -350.492126
where:
bonds (distance) C4'-P energy: -72.594
bonds (distance) P-C4' energy: -92.344
flat angles C4'-P-C4' energy: -82.692
flat angles P-C4'-P energy: -51.398
tors. eta vs tors. theta energy: -51.464
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: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -775.466420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.466420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.466420 (E_RNA)
where:
Base-Base interactions energy: -477.706
where: short stacking energy: -206.801
Base-Backbone interact. energy: -0.321
local terms energy: -297.439170
where:
bonds (distance) C4'-P energy: -88.572
bonds (distance) P-C4' energy: -86.063
flat angles C4'-P-C4' energy: -59.263
flat angles P-C4'-P energy: -37.164
tors. eta vs tors. theta energy: -26.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1870.822806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.822806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.822806 (E_RNA)
where:
Base-Base interactions energy: -1328.158
where: short stacking energy: -551.237
Base-Backbone interact. energy: -3.683
local terms energy: -538.982402
where:
bonds (distance) C4'-P energy: -88.113
bonds (distance) P-C4' energy: -99.606
flat angles C4'-P-C4' energy: -118.831
flat angles P-C4'-P energy: -80.069
tors. eta vs tors. theta energy: -152.364
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: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1785.992943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.992943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.992943 (E_RNA)
where:
Base-Base interactions energy: -1238.993
where: short stacking energy: -531.910
Base-Backbone interact. energy: -1.104
local terms energy: -545.896651
where:
bonds (distance) C4'-P energy: -93.927
bonds (distance) P-C4' energy: -100.945
flat angles C4'-P-C4' energy: -116.912
flat angles P-C4'-P energy: -75.126
tors. eta vs tors. theta energy: -158.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1756.907698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.907698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.907698 (E_RNA)
where:
Base-Base interactions energy: -1228.303
where: short stacking energy: -511.517
Base-Backbone interact. energy: -0.318
local terms energy: -528.286019
where:
bonds (distance) C4'-P energy: -96.941
bonds (distance) P-C4' energy: -96.486
flat angles C4'-P-C4' energy: -108.335
flat angles P-C4'-P energy: -74.342
tors. eta vs tors. theta energy: -152.183
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: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1722.563383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.563383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.563383 (E_RNA)
where:
Base-Base interactions energy: -1217.190
where: short stacking energy: -518.517
Base-Backbone interact. energy: 0.291
local terms energy: -505.665330
where:
bonds (distance) C4'-P energy: -78.499
bonds (distance) P-C4' energy: -90.523
flat angles C4'-P-C4' energy: -110.907
flat angles P-C4'-P energy: -71.512
tors. eta vs tors. theta energy: -154.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1542.844798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.844798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.844798 (E_RNA)
where:
Base-Base interactions energy: -1068.574
where: short stacking energy: -449.794
Base-Backbone interact. energy: -0.349
local terms energy: -473.921692
where:
bonds (distance) C4'-P energy: -89.912
bonds (distance) P-C4' energy: -81.893
flat angles C4'-P-C4' energy: -106.901
flat angles P-C4'-P energy: -67.771
tors. eta vs tors. theta energy: -127.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1548.851346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.851346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.851346 (E_RNA)
where:
Base-Base interactions energy: -1103.586
where: short stacking energy: -458.892
Base-Backbone interact. energy: 2.901
local terms energy: -448.166455
where:
bonds (distance) C4'-P energy: -68.070
bonds (distance) P-C4' energy: -76.814
flat angles C4'-P-C4' energy: -98.789
flat angles P-C4'-P energy: -74.416
tors. eta vs tors. theta energy: -130.078
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: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1430.137390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.137390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.137390 (E_RNA)
where:
Base-Base interactions energy: -1003.498
where: short stacking energy: -431.922
Base-Backbone interact. energy: 1.044
local terms energy: -427.683940
where:
bonds (distance) C4'-P energy: -63.661
bonds (distance) P-C4' energy: -76.394
flat angles C4'-P-C4' energy: -109.465
flat angles P-C4'-P energy: -60.838
tors. eta vs tors. theta energy: -117.326
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: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1322.268308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.268308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.268308 (E_RNA)
where:
Base-Base interactions energy: -921.521
where: short stacking energy: -384.801
Base-Backbone interact. energy: 2.191
local terms energy: -402.938430
where:
bonds (distance) C4'-P energy: -81.013
bonds (distance) P-C4' energy: -81.813
flat angles C4'-P-C4' energy: -84.824
flat angles P-C4'-P energy: -62.267
tors. eta vs tors. theta energy: -93.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -973.980426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.980426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.980426 (E_RNA)
where:
Base-Base interactions energy: -624.544
where: short stacking energy: -295.404
Base-Backbone interact. energy: 3.295
local terms energy: -352.731903
where:
bonds (distance) C4'-P energy: -78.385
bonds (distance) P-C4' energy: -75.151
flat angles C4'-P-C4' energy: -87.303
flat angles P-C4'-P energy: -50.301
tors. eta vs tors. theta energy: -61.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -764.641296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.641296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.641296 (E_RNA)
where:
Base-Base interactions energy: -433.635
where: short stacking energy: -198.033
Base-Backbone interact. energy: -1.179
local terms energy: -329.827201
where:
bonds (distance) C4'-P energy: -85.413
bonds (distance) P-C4' energy: -83.430
flat angles C4'-P-C4' energy: -73.955
flat angles P-C4'-P energy: -62.464
tors. eta vs tors. theta energy: -24.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1848.088029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.088029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.088029 (E_RNA)
where:
Base-Base interactions energy: -1320.935
where: short stacking energy: -547.092
Base-Backbone interact. energy: -2.509
local terms energy: -524.644036
where:
bonds (distance) C4'-P energy: -99.117
bonds (distance) P-C4' energy: -88.396
flat angles C4'-P-C4' energy: -111.240
flat angles P-C4'-P energy: -74.848
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: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1806.179092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.179092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.179092 (E_RNA)
where:
Base-Base interactions energy: -1256.166
where: short stacking energy: -525.012
Base-Backbone interact. energy: -4.777
local terms energy: -545.236263
where:
bonds (distance) C4'-P energy: -99.940
bonds (distance) P-C4' energy: -91.449
flat angles C4'-P-C4' energy: -110.423
flat angles P-C4'-P energy: -81.385
tors. eta vs tors. theta energy: -162.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1772.432752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.432752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.432752 (E_RNA)
where:
Base-Base interactions energy: -1238.271
where: short stacking energy: -519.049
Base-Backbone interact. energy: -1.617
local terms energy: -532.544975
where:
bonds (distance) C4'-P energy: -93.972
bonds (distance) P-C4' energy: -103.126
flat angles C4'-P-C4' energy: -117.647
flat angles P-C4'-P energy: -70.546
tors. eta vs tors. theta energy: -147.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1710.071367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.071367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.071367 (E_RNA)
where:
Base-Base interactions energy: -1178.910
where: short stacking energy: -494.546
Base-Backbone interact. energy: -2.107
local terms energy: -529.055112
where:
bonds (distance) C4'-P energy: -94.679
bonds (distance) P-C4' energy: -94.390
flat angles C4'-P-C4' energy: -102.627
flat angles P-C4'-P energy: -86.983
tors. eta vs tors. theta energy: -150.377
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: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1549.170070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.170070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.170070 (E_RNA)
where:
Base-Base interactions energy: -1068.559
where: short stacking energy: -457.970
Base-Backbone interact. energy: -1.851
local terms energy: -478.759483
where:
bonds (distance) C4'-P energy: -81.490
bonds (distance) P-C4' energy: -83.548
flat angles C4'-P-C4' energy: -116.976
flat angles P-C4'-P energy: -61.484
tors. eta vs tors. theta energy: -135.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1589.932801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.932801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.932801 (E_RNA)
where:
Base-Base interactions energy: -1124.483
where: short stacking energy: -478.083
Base-Backbone interact. energy: -1.509
local terms energy: -463.941134
where:
bonds (distance) C4'-P energy: -64.980
bonds (distance) P-C4' energy: -92.377
flat angles C4'-P-C4' energy: -98.907
flat angles P-C4'-P energy: -69.146
tors. eta vs tors. theta energy: -138.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1447.399031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.399031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.399031 (E_RNA)
where:
Base-Base interactions energy: -1026.565
where: short stacking energy: -435.359
Base-Backbone interact. energy: -1.567
local terms energy: -419.267247
where:
bonds (distance) C4'-P energy: -71.786
bonds (distance) P-C4' energy: -81.442
flat angles C4'-P-C4' energy: -89.157
flat angles P-C4'-P energy: -61.284
tors. eta vs tors. theta energy: -115.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1332.802871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.802871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.802871 (E_RNA)
where:
Base-Base interactions energy: -920.842
where: short stacking energy: -404.748
Base-Backbone interact. energy: -1.265
local terms energy: -410.696585
where:
bonds (distance) C4'-P energy: -79.977
bonds (distance) P-C4' energy: -88.367
flat angles C4'-P-C4' energy: -84.393
flat angles P-C4'-P energy: -48.232
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: 9, replica: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1097.334382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.334382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.334382 (E_RNA)
where:
Base-Base interactions energy: -722.622
where: short stacking energy: -310.081
Base-Backbone interact. energy: -0.698
local terms energy: -374.014284
where:
bonds (distance) C4'-P energy: -82.696
bonds (distance) P-C4' energy: -84.912
flat angles C4'-P-C4' energy: -80.806
flat angles P-C4'-P energy: -52.682
tors. eta vs tors. theta energy: -72.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -744.018786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.018786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.018786 (E_RNA)
where:
Base-Base interactions energy: -425.610
where: short stacking energy: -222.155
Base-Backbone interact. energy: 1.008
local terms energy: -319.416171
where:
bonds (distance) C4'-P energy: -78.103
bonds (distance) P-C4' energy: -86.818
flat angles C4'-P-C4' energy: -84.679
flat angles P-C4'-P energy: -38.100
tors. eta vs tors. theta energy: -31.716
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: 6
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1854.786825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.786825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.786825 (E_RNA)
where:
Base-Base interactions energy: -1309.418
where: short stacking energy: -538.822
Base-Backbone interact. energy: -3.210
local terms energy: -542.158837
where:
bonds (distance) C4'-P energy: -91.099
bonds (distance) P-C4' energy: -106.292
flat angles C4'-P-C4' energy: -106.731
flat angles P-C4'-P energy: -84.509
tors. eta vs tors. theta energy: -153.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1798.231596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.231596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.231596 (E_RNA)
where:
Base-Base interactions energy: -1257.514
where: short stacking energy: -544.354
Base-Backbone interact. energy: -0.455
local terms energy: -540.263000
where:
bonds (distance) C4'-P energy: -105.167
bonds (distance) P-C4' energy: -86.751
flat angles C4'-P-C4' energy: -111.120
flat angles P-C4'-P energy: -76.462
tors. eta vs tors. theta energy: -160.764
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: 310
Temperature: 1.000000
Total energy: -1749.861190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.861190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.861190 (E_RNA)
where:
Base-Base interactions energy: -1235.118
where: short stacking energy: -507.233
Base-Backbone interact. energy: -1.071
local terms energy: -513.672153
where:
bonds (distance) C4'-P energy: -101.107
bonds (distance) P-C4' energy: -93.465
flat angles C4'-P-C4' energy: -110.315
flat angles P-C4'-P energy: -59.999
tors. eta vs tors. theta energy: -148.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1725.468548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.468548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.468548 (E_RNA)
where:
Base-Base interactions energy: -1212.702
where: short stacking energy: -511.819
Base-Backbone interact. energy: -3.967
local terms energy: -508.800179
where:
bonds (distance) C4'-P energy: -81.154
bonds (distance) P-C4' energy: -92.620
flat angles C4'-P-C4' energy: -105.058
flat angles P-C4'-P energy: -81.958
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: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1625.052282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.052282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.052282 (E_RNA)
where:
Base-Base interactions energy: -1139.084
where: short stacking energy: -475.769
Base-Backbone interact. energy: -1.158
local terms energy: -484.810562
where:
bonds (distance) C4'-P energy: -89.792
bonds (distance) P-C4' energy: -83.989
flat angles C4'-P-C4' energy: -97.293
flat angles P-C4'-P energy: -74.419
tors. eta vs tors. theta energy: -139.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1529.024000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.024000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.024000 (E_RNA)
where:
Base-Base interactions energy: -1066.086
where: short stacking energy: -448.860
Base-Backbone interact. energy: -2.750
local terms energy: -460.187885
where:
bonds (distance) C4'-P energy: -83.267
bonds (distance) P-C4' energy: -88.747
flat angles C4'-P-C4' energy: -97.993
flat angles P-C4'-P energy: -68.442
tors. eta vs tors. theta energy: -121.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1432.883897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.883897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.883897 (E_RNA)
where:
Base-Base interactions energy: -1008.522
where: short stacking energy: -416.293
Base-Backbone interact. energy: -2.082
local terms energy: -422.279916
where:
bonds (distance) C4'-P energy: -72.192
bonds (distance) P-C4' energy: -87.502
flat angles C4'-P-C4' energy: -91.920
flat angles P-C4'-P energy: -53.892
tors. eta vs tors. theta energy: -116.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1345.494308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.494308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.494308 (E_RNA)
where:
Base-Base interactions energy: -924.986
where: short stacking energy: -404.215
Base-Backbone interact. energy: -2.446
local terms energy: -418.062481
where:
bonds (distance) C4'-P energy: -78.807
bonds (distance) P-C4' energy: -82.723
flat angles C4'-P-C4' energy: -83.596
flat angles P-C4'-P energy: -63.836
tors. eta vs tors. theta energy: -109.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1088.391529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.391529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.391529 (E_RNA)
where:
Base-Base interactions energy: -708.961
where: short stacking energy: -349.067
Base-Backbone interact. energy: -0.952
local terms energy: -378.478198
where:
bonds (distance) C4'-P energy: -64.689
bonds (distance) P-C4' energy: -72.949
flat angles C4'-P-C4' energy: -100.882
flat angles P-C4'-P energy: -42.654
tors. eta vs tors. theta energy: -97.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -711.054798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.054798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.054798 (E_RNA)
where:
Base-Base interactions energy: -422.673
where: short stacking energy: -190.238
Base-Backbone interact. energy: 0.569
local terms energy: -288.950504
where:
bonds (distance) C4'-P energy: -71.936
bonds (distance) P-C4' energy: -92.189
flat angles C4'-P-C4' energy: -72.403
flat angles P-C4'-P energy: -23.600
tors. eta vs tors. theta energy: -28.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1846.918980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.918980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.918980 (E_RNA)
where:
Base-Base interactions energy: -1310.494
where: short stacking energy: -546.547
Base-Backbone interact. energy: -3.387
local terms energy: -533.037827
where:
bonds (distance) C4'-P energy: -96.747
bonds (distance) P-C4' energy: -96.955
flat angles C4'-P-C4' energy: -106.503
flat angles P-C4'-P energy: -77.264
tors. eta vs tors. theta energy: -155.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1789.458778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.458778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.458778 (E_RNA)
where:
Base-Base interactions energy: -1246.238
where: short stacking energy: -529.577
Base-Backbone interact. energy: -1.939
local terms energy: -541.281943
where:
bonds (distance) C4'-P energy: -89.731
bonds (distance) P-C4' energy: -96.148
flat angles C4'-P-C4' energy: -110.537
flat angles P-C4'-P energy: -90.531
tors. eta vs tors. theta energy: -154.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1743.125661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.125661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.125661 (E_RNA)
where:
Base-Base interactions energy: -1227.255
where: short stacking energy: -519.629
Base-Backbone interact. energy: -1.826
local terms energy: -514.044815
where:
bonds (distance) C4'-P energy: -83.864
bonds (distance) P-C4' energy: -85.770
flat angles C4'-P-C4' energy: -113.252
flat angles P-C4'-P energy: -78.823
tors. eta vs tors. theta energy: -152.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1719.679000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.679000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.679000 (E_RNA)
where:
Base-Base interactions energy: -1215.454
where: short stacking energy: -511.505
Base-Backbone interact. energy: -2.840
local terms energy: -501.384391
where:
bonds (distance) C4'-P energy: -86.899
bonds (distance) P-C4' energy: -89.556
flat angles C4'-P-C4' energy: -101.815
flat angles P-C4'-P energy: -73.536
tors. eta vs tors. theta energy: -149.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1616.899024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.899024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.899024 (E_RNA)
where:
Base-Base interactions energy: -1147.000
where: short stacking energy: -483.159
Base-Backbone interact. energy: 0.240
local terms energy: -470.139090
where:
bonds (distance) C4'-P energy: -76.215
bonds (distance) P-C4' energy: -80.704
flat angles C4'-P-C4' energy: -105.623
flat angles P-C4'-P energy: -76.360
tors. eta vs tors. theta energy: -131.237
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: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1526.845713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.845713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.845713 (E_RNA)
where:
Base-Base interactions energy: -1062.907
where: short stacking energy: -442.906
Base-Backbone interact. energy: -0.086
local terms energy: -463.852413
where:
bonds (distance) C4'-P energy: -89.186
bonds (distance) P-C4' energy: -79.238
flat angles C4'-P-C4' energy: -98.164
flat angles P-C4'-P energy: -71.639
tors. eta vs tors. theta energy: -125.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1383.746803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.746803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.746803 (E_RNA)
where:
Base-Base interactions energy: -949.554
where: short stacking energy: -396.996
Base-Backbone interact. energy: -1.560
local terms energy: -432.632753
where:
bonds (distance) C4'-P energy: -79.800
bonds (distance) P-C4' energy: -86.133
flat angles C4'-P-C4' energy: -75.439
flat angles P-C4'-P energy: -65.964
tors. eta vs tors. theta energy: -125.297
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: 8, replica: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1356.763042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.763042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.763042 (E_RNA)
where:
Base-Base interactions energy: -944.909
where: short stacking energy: -411.183
Base-Backbone interact. energy: 0.507
local terms energy: -412.360963
where:
bonds (distance) C4'-P energy: -84.096
bonds (distance) P-C4' energy: -86.335
flat angles C4'-P-C4' energy: -84.223
flat angles P-C4'-P energy: -52.556
tors. eta vs tors. theta energy: -105.150
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: 9, replica: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1017.974416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.974416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.974416 (E_RNA)
where:
Base-Base interactions energy: -652.928
where: short stacking energy: -292.888
Base-Backbone interact. energy: -0.527
local terms energy: -364.519054
where:
bonds (distance) C4'-P energy: -61.927
bonds (distance) P-C4' energy: -80.891
flat angles C4'-P-C4' energy: -91.799
flat angles P-C4'-P energy: -66.620
tors. eta vs tors. theta energy: -63.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -744.751213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.751213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.751213 (E_RNA)
where:
Base-Base interactions energy: -469.551
where: short stacking energy: -194.926
Base-Backbone interact. energy: 8.562
local terms energy: -283.762200
where:
bonds (distance) C4'-P energy: -68.897
bonds (distance) P-C4' energy: -80.508
flat angles C4'-P-C4' energy: -87.375
flat angles P-C4'-P energy: -30.293
tors. eta vs tors. theta energy: -16.689
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: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1853.177352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.177352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.177352 (E_RNA)
where:
Base-Base interactions energy: -1312.497
where: short stacking energy: -533.662
Base-Backbone interact. energy: -0.334
local terms energy: -540.346359
where:
bonds (distance) C4'-P energy: -102.119
bonds (distance) P-C4' energy: -97.548
flat angles C4'-P-C4' energy: -119.745
flat angles P-C4'-P energy: -66.827
tors. eta vs tors. theta energy: -154.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1783.890107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.890107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.890107 (E_RNA)
where:
Base-Base interactions energy: -1256.730
where: short stacking energy: -529.719
Base-Backbone interact. energy: -1.723
local terms energy: -525.437275
where:
bonds (distance) C4'-P energy: -95.465
bonds (distance) P-C4' energy: -90.542
flat angles C4'-P-C4' energy: -108.238
flat angles P-C4'-P energy: -75.668
tors. eta vs tors. theta energy: -155.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1740.835022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.835022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.835022 (E_RNA)
where:
Base-Base interactions energy: -1237.688
where: short stacking energy: -529.906
Base-Backbone interact. energy: -2.003
local terms energy: -501.144054
where:
bonds (distance) C4'-P energy: -95.275
bonds (distance) P-C4' energy: -81.253
flat angles C4'-P-C4' energy: -100.497
flat angles P-C4'-P energy: -72.459
tors. eta vs tors. theta energy: -151.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1717.485282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.485282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.485282 (E_RNA)
where:
Base-Base interactions energy: -1202.171
where: short stacking energy: -485.687
Base-Backbone interact. energy: -0.760
local terms energy: -514.554553
where:
bonds (distance) C4'-P energy: -81.631
bonds (distance) P-C4' energy: -99.230
flat angles C4'-P-C4' energy: -107.842
flat angles P-C4'-P energy: -67.547
tors. eta vs tors. theta energy: -158.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1558.125200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.125200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.125200 (E_RNA)
where:
Base-Base interactions energy: -1084.443
where: short stacking energy: -453.628
Base-Backbone interact. energy: -1.661
local terms energy: -472.021106
where:
bonds (distance) C4'-P energy: -73.730
bonds (distance) P-C4' energy: -89.624
flat angles C4'-P-C4' energy: -104.995
flat angles P-C4'-P energy: -68.799
tors. eta vs tors. theta energy: -134.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1545.596833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.596833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.596833 (E_RNA)
where:
Base-Base interactions energy: -1100.003
where: short stacking energy: -452.545
Base-Backbone interact. energy: -1.245
local terms energy: -444.348556
where:
bonds (distance) C4'-P energy: -77.043
bonds (distance) P-C4' energy: -83.371
flat angles C4'-P-C4' energy: -90.114
flat angles P-C4'-P energy: -70.751
tors. eta vs tors. theta energy: -123.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1371.282863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.282863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.282863 (E_RNA)
where:
Base-Base interactions energy: -958.926
where: short stacking energy: -411.195
Base-Backbone interact. energy: 0.524
local terms energy: -412.881303
where:
bonds (distance) C4'-P energy: -83.072
bonds (distance) P-C4' energy: -80.551
flat angles C4'-P-C4' energy: -91.341
flat angles P-C4'-P energy: -61.094
tors. eta vs tors. theta energy: -96.824
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: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1326.729653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.729653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.729653 (E_RNA)
where:
Base-Base interactions energy: -903.781
where: short stacking energy: -386.232
Base-Backbone interact. energy: -3.006
local terms energy: -419.942496
where:
bonds (distance) C4'-P energy: -64.092
bonds (distance) P-C4' energy: -96.643
flat angles C4'-P-C4' energy: -88.563
flat angles P-C4'-P energy: -60.190
tors. eta vs tors. theta energy: -110.455
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: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1043.058201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.058201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.058201 (E_RNA)
where:
Base-Base interactions energy: -699.421
where: short stacking energy: -297.735
Base-Backbone interact. energy: -0.045
local terms energy: -343.592255
where:
bonds (distance) C4'-P energy: -64.129
bonds (distance) P-C4' energy: -93.297
flat angles C4'-P-C4' energy: -85.907
flat angles P-C4'-P energy: -51.730
tors. eta vs tors. theta energy: -48.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -824.253150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.253150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.253150 (E_RNA)
where:
Base-Base interactions energy: -514.758
where: short stacking energy: -249.929
Base-Backbone interact. energy: -2.025
local terms energy: -307.469729
where:
bonds (distance) C4'-P energy: -70.119
bonds (distance) P-C4' energy: -63.559
flat angles C4'-P-C4' energy: -74.156
flat angles P-C4'-P energy: -46.759
tors. eta vs tors. theta energy: -52.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1846.240284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.240284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.240284 (E_RNA)
where:
Base-Base interactions energy: -1322.209
where: short stacking energy: -554.712
Base-Backbone interact. energy: 0.341
local terms energy: -524.372203
where:
bonds (distance) C4'-P energy: -93.902
bonds (distance) P-C4' energy: -98.477
flat angles C4'-P-C4' energy: -107.858
flat angles P-C4'-P energy: -74.316
tors. eta vs tors. theta energy: -149.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1801.081717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.081717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.081717 (E_RNA)
where:
Base-Base interactions energy: -1283.074
where: short stacking energy: -529.030
Base-Backbone interact. energy: -2.501
local terms energy: -515.506672
where:
bonds (distance) C4'-P energy: -98.252
bonds (distance) P-C4' energy: -93.866
flat angles C4'-P-C4' energy: -103.184
flat angles P-C4'-P energy: -67.864
tors. eta vs tors. theta energy: -152.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1722.549145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.549145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.549145 (E_RNA)
where:
Base-Base interactions energy: -1210.340
where: short stacking energy: -528.040
Base-Backbone interact. energy: -1.045
local terms energy: -511.163614
where:
bonds (distance) C4'-P energy: -87.941
bonds (distance) P-C4' energy: -90.816
flat angles C4'-P-C4' energy: -109.031
flat angles P-C4'-P energy: -66.775
tors. eta vs tors. theta energy: -156.601
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: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1688.270817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.270817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.270817 (E_RNA)
where:
Base-Base interactions energy: -1199.186
where: short stacking energy: -513.150
Base-Backbone interact. energy: -1.480
local terms energy: -487.604647
where:
bonds (distance) C4'-P energy: -93.555
bonds (distance) P-C4' energy: -81.396
flat angles C4'-P-C4' energy: -110.822
flat angles P-C4'-P energy: -56.698
tors. eta vs tors. theta energy: -145.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1579.944180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.944180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.944180 (E_RNA)
where:
Base-Base interactions energy: -1103.312
where: short stacking energy: -449.374
Base-Backbone interact. energy: 1.002
local terms energy: -477.634396
where:
bonds (distance) C4'-P energy: -77.639
bonds (distance) P-C4' energy: -98.608
flat angles C4'-P-C4' energy: -109.895
flat angles P-C4'-P energy: -68.792
tors. eta vs tors. theta energy: -122.700
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: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1563.373839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.373839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.373839 (E_RNA)
where:
Base-Base interactions energy: -1117.548
where: short stacking energy: -464.868
Base-Backbone interact. energy: -1.294
local terms energy: -444.531394
where:
bonds (distance) C4'-P energy: -73.416
bonds (distance) P-C4' energy: -75.015
flat angles C4'-P-C4' energy: -105.748
flat angles P-C4'-P energy: -59.458
tors. eta vs tors. theta energy: -130.893
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: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1439.294998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.294998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.294998 (E_RNA)
where:
Base-Base interactions energy: -1016.916
where: short stacking energy: -427.418
Base-Backbone interact. energy: -2.370
local terms energy: -420.009097
where:
bonds (distance) C4'-P energy: -76.447
bonds (distance) P-C4' energy: -77.321
flat angles C4'-P-C4' energy: -93.203
flat angles P-C4'-P energy: -66.939
tors. eta vs tors. theta energy: -106.100
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: 313
Temperature: 1.250000
Total energy: -1367.975206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.975206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.975206 (E_RNA)
where:
Base-Base interactions energy: -959.606
where: short stacking energy: -399.705
Base-Backbone interact. energy: -2.187
local terms energy: -406.182468
where:
bonds (distance) C4'-P energy: -70.980
bonds (distance) P-C4' energy: -64.509
flat angles C4'-P-C4' energy: -100.570
flat angles P-C4'-P energy: -66.686
tors. eta vs tors. theta energy: -103.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1039.728802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.728802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.728802 (E_RNA)
where:
Base-Base interactions energy: -683.207
where: short stacking energy: -303.946
Base-Backbone interact. energy: 1.084
local terms energy: -357.605657
where:
bonds (distance) C4'-P energy: -73.735
bonds (distance) P-C4' energy: -80.717
flat angles C4'-P-C4' energy: -84.320
flat angles P-C4'-P energy: -48.552
tors. eta vs tors. theta energy: -70.282
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: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -833.386123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.386123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.386123 (E_RNA)
where:
Base-Base interactions energy: -526.280
where: short stacking energy: -224.028
Base-Backbone interact. energy: 1.869
local terms energy: -308.975449
where:
bonds (distance) C4'-P energy: -77.568
bonds (distance) P-C4' energy: -91.171
flat angles C4'-P-C4' energy: -76.810
flat angles P-C4'-P energy: -35.598
tors. eta vs tors. theta energy: -27.829
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: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1850.670407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.670407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.670407 (E_RNA)
where:
Base-Base interactions energy: -1321.957
where: short stacking energy: -525.531
Base-Backbone interact. energy: -2.000
local terms energy: -526.714106
where:
bonds (distance) C4'-P energy: -101.892
bonds (distance) P-C4' energy: -92.597
flat angles C4'-P-C4' energy: -106.253
flat angles P-C4'-P energy: -78.827
tors. eta vs tors. theta energy: -147.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1785.516860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.516860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.516860 (E_RNA)
where:
Base-Base interactions energy: -1233.808
where: short stacking energy: -528.559
Base-Backbone interact. energy: -1.180
local terms energy: -550.528174
where:
bonds (distance) C4'-P energy: -96.809
bonds (distance) P-C4' energy: -105.238
flat angles C4'-P-C4' energy: -115.126
flat angles P-C4'-P energy: -80.230
tors. eta vs tors. theta energy: -153.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1759.737954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.737954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.737954 (E_RNA)
where:
Base-Base interactions energy: -1231.149
where: short stacking energy: -531.579
Base-Backbone interact. energy: -1.570
local terms energy: -527.019132
where:
bonds (distance) C4'-P energy: -74.335
bonds (distance) P-C4' energy: -109.370
flat angles C4'-P-C4' energy: -112.592
flat angles P-C4'-P energy: -75.216
tors. eta vs tors. theta energy: -155.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1672.790624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.790624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.790624 (E_RNA)
where:
Base-Base interactions energy: -1173.418
where: short stacking energy: -484.825
Base-Backbone interact. energy: 2.272
local terms energy: -501.645278
where:
bonds (distance) C4'-P energy: -86.210
bonds (distance) P-C4' energy: -96.414
flat angles C4'-P-C4' energy: -106.525
flat angles P-C4'-P energy: -68.242
tors. eta vs tors. theta energy: -144.254
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: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1624.580460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.580460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.580460 (E_RNA)
where:
Base-Base interactions energy: -1149.812
where: short stacking energy: -499.468
Base-Backbone interact. energy: -2.031
local terms energy: -472.737857
where:
bonds (distance) C4'-P energy: -74.659
bonds (distance) P-C4' energy: -96.626
flat angles C4'-P-C4' energy: -93.428
flat angles P-C4'-P energy: -72.194
tors. eta vs tors. theta energy: -135.831
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: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1563.711333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.711333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.711333 (E_RNA)
where:
Base-Base interactions energy: -1108.744
where: short stacking energy: -465.095
Base-Backbone interact. energy: -0.712
local terms energy: -454.255568
where:
bonds (distance) C4'-P energy: -80.351
bonds (distance) P-C4' energy: -78.681
flat angles C4'-P-C4' energy: -91.038
flat angles P-C4'-P energy: -64.761
tors. eta vs tors. theta energy: -139.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1424.900332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.900332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.900332 (E_RNA)
where:
Base-Base interactions energy: -1002.759
where: short stacking energy: -410.825
Base-Backbone interact. energy: -1.240
local terms energy: -420.901382
where:
bonds (distance) C4'-P energy: -87.766
bonds (distance) P-C4' energy: -83.208
flat angles C4'-P-C4' energy: -90.539
flat angles P-C4'-P energy: -59.287
tors. eta vs tors. theta energy: -100.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1381.357875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.357875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.357875 (E_RNA)
where:
Base-Base interactions energy: -970.816
where: short stacking energy: -380.791
Base-Backbone interact. energy: 1.617
local terms energy: -412.159639
where:
bonds (distance) C4'-P energy: -86.724
bonds (distance) P-C4' energy: -74.971
flat angles C4'-P-C4' energy: -83.138
flat angles P-C4'-P energy: -58.132
tors. eta vs tors. theta energy: -109.195
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: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1055.084541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.084541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.084541 (E_RNA)
where:
Base-Base interactions energy: -690.847
where: short stacking energy: -302.507
Base-Backbone interact. energy: -2.432
local terms energy: -361.805263
where:
bonds (distance) C4'-P energy: -90.934
bonds (distance) P-C4' energy: -73.075
flat angles C4'-P-C4' energy: -88.596
flat angles P-C4'-P energy: -48.557
tors. eta vs tors. theta energy: -60.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -823.230313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.230313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.230313 (E_RNA)
where:
Base-Base interactions energy: -521.848
where: short stacking energy: -223.275
Base-Backbone interact. energy: 1.369
local terms energy: -302.751686
where:
bonds (distance) C4'-P energy: -76.479
bonds (distance) P-C4' energy: -73.783
flat angles C4'-P-C4' energy: -77.954
flat angles P-C4'-P energy: -54.084
tors. eta vs tors. theta energy: -20.452
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: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1863.050248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.050248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.050248 (E_RNA)
where:
Base-Base interactions energy: -1336.231
where: short stacking energy: -520.356
Base-Backbone interact. energy: -4.915
local terms energy: -521.903823
where:
bonds (distance) C4'-P energy: -90.109
bonds (distance) P-C4' energy: -102.803
flat angles C4'-P-C4' energy: -112.001
flat angles P-C4'-P energy: -74.636
tors. eta vs tors. theta energy: -142.355
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: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1803.976689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.976689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.976689 (E_RNA)
where:
Base-Base interactions energy: -1278.822
where: short stacking energy: -535.712
Base-Backbone interact. energy: -1.143
local terms energy: -524.011373
where:
bonds (distance) C4'-P energy: -88.173
bonds (distance) P-C4' energy: -91.370
flat angles C4'-P-C4' energy: -116.249
flat angles P-C4'-P energy: -71.628
tors. eta vs tors. theta energy: -156.591
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: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1770.285065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.285065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.285065 (E_RNA)
where:
Base-Base interactions energy: -1240.948
where: short stacking energy: -551.647
Base-Backbone interact. energy: -1.748
local terms energy: -527.589515
where:
bonds (distance) C4'-P energy: -88.059
bonds (distance) P-C4' energy: -100.289
flat angles C4'-P-C4' energy: -108.794
flat angles P-C4'-P energy: -66.283
tors. eta vs tors. theta energy: -164.164
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: 4, replica: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1692.972246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.972246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.972246 (E_RNA)
where:
Base-Base interactions energy: -1193.682
where: short stacking energy: -507.532
Base-Backbone interact. energy: 0.139
local terms energy: -499.428752
where:
bonds (distance) C4'-P energy: -77.674
bonds (distance) P-C4' energy: -98.638
flat angles C4'-P-C4' energy: -110.020
flat angles P-C4'-P energy: -66.055
tors. eta vs tors. theta energy: -147.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1582.980345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.980345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.980345 (E_RNA)
where:
Base-Base interactions energy: -1089.575
where: short stacking energy: -456.343
Base-Backbone interact. energy: 0.212
local terms energy: -493.617881
where:
bonds (distance) C4'-P energy: -100.894
bonds (distance) P-C4' energy: -82.784
flat angles C4'-P-C4' energy: -104.732
flat angles P-C4'-P energy: -65.144
tors. eta vs tors. theta energy: -140.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1585.175988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.175988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.175988 (E_RNA)
where:
Base-Base interactions energy: -1105.114
where: short stacking energy: -438.474
Base-Backbone interact. energy: -0.572
local terms energy: -479.490600
where:
bonds (distance) C4'-P energy: -82.719
bonds (distance) P-C4' energy: -95.194
flat angles C4'-P-C4' energy: -105.255
flat angles P-C4'-P energy: -62.921
tors. eta vs tors. theta energy: -133.402
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: 315
Temperature: 1.200000
Total energy: -1444.052238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.052238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.052238 (E_RNA)
where:
Base-Base interactions energy: -1024.846
where: short stacking energy: -422.515
Base-Backbone interact. energy: -3.920
local terms energy: -415.286779
where:
bonds (distance) C4'-P energy: -79.598
bonds (distance) P-C4' energy: -76.107
flat angles C4'-P-C4' energy: -82.978
flat angles P-C4'-P energy: -63.389
tors. eta vs tors. theta energy: -113.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1393.370936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.370936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.370936 (E_RNA)
where:
Base-Base interactions energy: -944.997
where: short stacking energy: -396.842
Base-Backbone interact. energy: -1.021
local terms energy: -447.352642
where:
bonds (distance) C4'-P energy: -78.997
bonds (distance) P-C4' energy: -90.157
flat angles C4'-P-C4' energy: -87.801
flat angles P-C4'-P energy: -71.656
tors. eta vs tors. theta energy: -118.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1048.948062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.948062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.948062 (E_RNA)
where:
Base-Base interactions energy: -684.318
where: short stacking energy: -289.135
Base-Backbone interact. energy: -0.281
local terms energy: -364.348789
where:
bonds (distance) C4'-P energy: -86.863
bonds (distance) P-C4' energy: -85.579
flat angles C4'-P-C4' energy: -77.689
flat angles P-C4'-P energy: -51.628
tors. eta vs tors. theta energy: -62.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -854.787963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.787963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.787963 (E_RNA)
where:
Base-Base interactions energy: -531.973
where: short stacking energy: -239.364
Base-Backbone interact. energy: 1.702
local terms energy: -324.516927
where:
bonds (distance) C4'-P energy: -69.707
bonds (distance) P-C4' energy: -78.446
flat angles C4'-P-C4' energy: -78.087
flat angles P-C4'-P energy: -52.872
tors. eta vs tors. theta energy: -45.405
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: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1836.957993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.957993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.957993 (E_RNA)
where:
Base-Base interactions energy: -1294.369
where: short stacking energy: -533.993
Base-Backbone interact. energy: -2.304
local terms energy: -540.284280
where:
bonds (distance) C4'-P energy: -104.272
bonds (distance) P-C4' energy: -90.502
flat angles C4'-P-C4' energy: -110.596
flat angles P-C4'-P energy: -76.927
tors. eta vs tors. theta energy: -157.988
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: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1800.957004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.957004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.957004 (E_RNA)
where:
Base-Base interactions energy: -1275.980
where: short stacking energy: -506.751
Base-Backbone interact. energy: -4.853
local terms energy: -520.124310
where:
bonds (distance) C4'-P energy: -78.858
bonds (distance) P-C4' energy: -99.244
flat angles C4'-P-C4' energy: -121.642
flat angles P-C4'-P energy: -74.894
tors. eta vs tors. theta energy: -145.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1762.916147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.916147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.916147 (E_RNA)
where:
Base-Base interactions energy: -1212.988
where: short stacking energy: -523.239
Base-Backbone interact. energy: -0.366
local terms energy: -549.562048
where:
bonds (distance) C4'-P energy: -97.038
bonds (distance) P-C4' energy: -86.179
flat angles C4'-P-C4' energy: -116.565
flat angles P-C4'-P energy: -81.910
tors. eta vs tors. theta energy: -167.870
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: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1670.740193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.740193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.740193 (E_RNA)
where:
Base-Base interactions energy: -1156.749
where: short stacking energy: -501.154
Base-Backbone interact. energy: -1.132
local terms energy: -512.858872
where:
bonds (distance) C4'-P energy: -91.266
bonds (distance) P-C4' energy: -107.324
flat angles C4'-P-C4' energy: -99.593
flat angles P-C4'-P energy: -72.797
tors. eta vs tors. theta energy: -141.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1616.028341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.028341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.028341 (E_RNA)
where:
Base-Base interactions energy: -1115.485
where: short stacking energy: -474.769
Base-Backbone interact. energy: 1.178
local terms energy: -501.721450
where:
bonds (distance) C4'-P energy: -85.287
bonds (distance) P-C4' energy: -90.279
flat angles C4'-P-C4' energy: -106.857
flat angles P-C4'-P energy: -75.079
tors. eta vs tors. theta energy: -144.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1539.880175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.880175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.880175 (E_RNA)
where:
Base-Base interactions energy: -1106.073
where: short stacking energy: -475.424
Base-Backbone interact. energy: -2.236
local terms energy: -431.571584
where:
bonds (distance) C4'-P energy: -78.222
bonds (distance) P-C4' energy: -80.610
flat angles C4'-P-C4' energy: -81.107
flat angles P-C4'-P energy: -67.572
tors. eta vs tors. theta energy: -124.061
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: 316
Temperature: 1.200000
Total energy: -1476.045270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.045270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.045270 (E_RNA)
where:
Base-Base interactions energy: -1015.979
where: short stacking energy: -428.925
Base-Backbone interact. energy: -0.536
local terms energy: -459.529403
where:
bonds (distance) C4'-P energy: -80.813
bonds (distance) P-C4' energy: -93.776
flat angles C4'-P-C4' energy: -88.498
flat angles P-C4'-P energy: -69.124
tors. eta vs tors. theta energy: -127.318
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: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1356.895873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.895873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.895873 (E_RNA)
where:
Base-Base interactions energy: -926.475
where: short stacking energy: -410.229
Base-Backbone interact. energy: -1.256
local terms energy: -429.165737
where:
bonds (distance) C4'-P energy: -80.192
bonds (distance) P-C4' energy: -90.472
flat angles C4'-P-C4' energy: -87.500
flat angles P-C4'-P energy: -59.096
tors. eta vs tors. theta energy: -111.905
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: 9, replica: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1041.565271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.565271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.565271 (E_RNA)
where:
Base-Base interactions energy: -677.759
where: short stacking energy: -292.424
Base-Backbone interact. energy: -0.459
local terms energy: -363.347754
where:
bonds (distance) C4'-P energy: -79.499
bonds (distance) P-C4' energy: -84.581
flat angles C4'-P-C4' energy: -91.469
flat angles P-C4'-P energy: -54.495
tors. eta vs tors. theta energy: -53.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -825.734759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.734759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.734759 (E_RNA)
where:
Base-Base interactions energy: -510.932
where: short stacking energy: -244.329
Base-Backbone interact. energy: 0.956
local terms energy: -315.758572
where:
bonds (distance) C4'-P energy: -73.503
bonds (distance) P-C4' energy: -83.832
flat angles C4'-P-C4' energy: -81.651
flat angles P-C4'-P energy: -40.457
tors. eta vs tors. theta energy: -36.315
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: 317
Temperature: 0.900000
Total energy: -1846.816886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.816886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.816886 (E_RNA)
where:
Base-Base interactions energy: -1288.161
where: short stacking energy: -534.681
Base-Backbone interact. energy: -1.701
local terms energy: -556.954470
where:
bonds (distance) C4'-P energy: -107.861
bonds (distance) P-C4' energy: -96.307
flat angles C4'-P-C4' energy: -121.912
flat angles P-C4'-P energy: -76.451
tors. eta vs tors. theta energy: -154.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1803.900134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.900134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.900134 (E_RNA)
where:
Base-Base interactions energy: -1280.759
where: short stacking energy: -526.774
Base-Backbone interact. energy: -0.861
local terms energy: -522.280606
where:
bonds (distance) C4'-P energy: -78.688
bonds (distance) P-C4' energy: -103.823
flat angles C4'-P-C4' energy: -114.905
flat angles P-C4'-P energy: -71.401
tors. eta vs tors. theta energy: -153.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1756.781784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.781784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.781784 (E_RNA)
where:
Base-Base interactions energy: -1229.482
where: short stacking energy: -547.934
Base-Backbone interact. energy: -1.201
local terms energy: -526.099370
where:
bonds (distance) C4'-P energy: -74.367
bonds (distance) P-C4' energy: -96.729
flat angles C4'-P-C4' energy: -112.774
flat angles P-C4'-P energy: -75.800
tors. eta vs tors. theta energy: -166.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1704.426213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.426213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.426213 (E_RNA)
where:
Base-Base interactions energy: -1195.532
where: short stacking energy: -524.015
Base-Backbone interact. energy: -0.254
local terms energy: -508.640347
where:
bonds (distance) C4'-P energy: -82.117
bonds (distance) P-C4' energy: -86.400
flat angles C4'-P-C4' energy: -115.867
flat angles P-C4'-P energy: -77.625
tors. eta vs tors. theta energy: -146.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1569.499896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.499896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.499896 (E_RNA)
where:
Base-Base interactions energy: -1114.556
where: short stacking energy: -465.794
Base-Backbone interact. energy: -1.523
local terms energy: -453.420436
where:
bonds (distance) C4'-P energy: -85.953
bonds (distance) P-C4' energy: -87.627
flat angles C4'-P-C4' energy: -96.110
flat angles P-C4'-P energy: -62.634
tors. eta vs tors. theta energy: -121.097
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: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1539.128807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.128807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.128807 (E_RNA)
where:
Base-Base interactions energy: -1105.274
where: short stacking energy: -438.523
Base-Backbone interact. energy: -1.510
local terms energy: -432.345116
where:
bonds (distance) C4'-P energy: -76.781
bonds (distance) P-C4' energy: -73.671
flat angles C4'-P-C4' energy: -95.149
flat angles P-C4'-P energy: -63.164
tors. eta vs tors. theta energy: -123.580
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: 317
Temperature: 1.200000
Total energy: -1481.970230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.970230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.970230 (E_RNA)
where:
Base-Base interactions energy: -1028.491
where: short stacking energy: -416.698
Base-Backbone interact. energy: 2.263
local terms energy: -455.741697
where:
bonds (distance) C4'-P energy: -82.902
bonds (distance) P-C4' energy: -83.255
flat angles C4'-P-C4' energy: -96.576
flat angles P-C4'-P energy: -63.498
tors. eta vs tors. theta energy: -129.510
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: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1353.598848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.598848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.598848 (E_RNA)
where:
Base-Base interactions energy: -905.266
where: short stacking energy: -389.507
Base-Backbone interact. energy: -2.910
local terms energy: -445.423314
where:
bonds (distance) C4'-P energy: -83.666
bonds (distance) P-C4' energy: -93.704
flat angles C4'-P-C4' energy: -95.376
flat angles P-C4'-P energy: -66.784
tors. eta vs tors. theta energy: -105.895
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: 9, replica: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -945.809287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.809287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.809287 (E_RNA)
where:
Base-Base interactions energy: -609.836
where: short stacking energy: -267.452
Base-Backbone interact. energy: -1.252
local terms energy: -334.721305
where:
bonds (distance) C4'-P energy: -72.349
bonds (distance) P-C4' energy: -74.350
flat angles C4'-P-C4' energy: -90.110
flat angles P-C4'-P energy: -57.360
tors. eta vs tors. theta energy: -40.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -871.711119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.711119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.711119 (E_RNA)
where:
Base-Base interactions energy: -552.310
where: short stacking energy: -251.898
Base-Backbone interact. energy: 2.989
local terms energy: -322.390569
where:
bonds (distance) C4'-P energy: -78.521
bonds (distance) P-C4' energy: -90.012
flat angles C4'-P-C4' energy: -68.793
flat angles P-C4'-P energy: -47.909
tors. eta vs tors. theta energy: -37.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1843.986289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.986289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.986289 (E_RNA)
where:
Base-Base interactions energy: -1304.623
where: short stacking energy: -554.170
Base-Backbone interact. energy: -1.385
local terms energy: -537.977710
where:
bonds (distance) C4'-P energy: -89.675
bonds (distance) P-C4' energy: -95.174
flat angles C4'-P-C4' energy: -115.147
flat angles P-C4'-P energy: -79.005
tors. eta vs tors. theta energy: -158.977
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: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1820.027777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.027777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.027777 (E_RNA)
where:
Base-Base interactions energy: -1283.024
where: short stacking energy: -523.842
Base-Backbone interact. energy: -2.859
local terms energy: -534.145585
where:
bonds (distance) C4'-P energy: -104.629
bonds (distance) P-C4' energy: -91.862
flat angles C4'-P-C4' energy: -112.854
flat angles P-C4'-P energy: -78.910
tors. eta vs tors. theta energy: -145.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1781.172418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.172418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.172418 (E_RNA)
where:
Base-Base interactions energy: -1263.734
where: short stacking energy: -536.116
Base-Backbone interact. energy: -2.546
local terms energy: -514.892000
where:
bonds (distance) C4'-P energy: -89.306
bonds (distance) P-C4' energy: -91.449
flat angles C4'-P-C4' energy: -108.138
flat angles P-C4'-P energy: -72.390
tors. eta vs tors. theta energy: -153.608
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: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1674.281349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.281349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.281349 (E_RNA)
where:
Base-Base interactions energy: -1157.439
where: short stacking energy: -491.721
Base-Backbone interact. energy: -1.495
local terms energy: -515.347918
where:
bonds (distance) C4'-P energy: -97.955
bonds (distance) P-C4' energy: -94.838
flat angles C4'-P-C4' energy: -108.247
flat angles P-C4'-P energy: -75.223
tors. eta vs tors. theta energy: -139.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1628.639208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.639208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.639208 (E_RNA)
where:
Base-Base interactions energy: -1144.060
where: short stacking energy: -472.856
Base-Backbone interact. energy: -1.613
local terms energy: -482.965652
where:
bonds (distance) C4'-P energy: -90.121
bonds (distance) P-C4' energy: -88.618
flat angles C4'-P-C4' energy: -106.743
flat angles P-C4'-P energy: -65.448
tors. eta vs tors. theta energy: -132.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1502.801092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.801092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.801092 (E_RNA)
where:
Base-Base interactions energy: -1061.201
where: short stacking energy: -431.744
Base-Backbone interact. energy: -3.041
local terms energy: -438.559288
where:
bonds (distance) C4'-P energy: -83.445
bonds (distance) P-C4' energy: -87.362
flat angles C4'-P-C4' energy: -88.538
flat angles P-C4'-P energy: -62.282
tors. eta vs tors. theta energy: -116.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1458.126929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.126929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.126929 (E_RNA)
where:
Base-Base interactions energy: -999.772
where: short stacking energy: -410.805
Base-Backbone interact. energy: 0.791
local terms energy: -459.145492
where:
bonds (distance) C4'-P energy: -91.294
bonds (distance) P-C4' energy: -87.536
flat angles C4'-P-C4' energy: -99.708
flat angles P-C4'-P energy: -64.252
tors. eta vs tors. theta energy: -116.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1303.475370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.475370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.475370 (E_RNA)
where:
Base-Base interactions energy: -892.981
where: short stacking energy: -374.500
Base-Backbone interact. energy: -2.449
local terms energy: -408.044448
where:
bonds (distance) C4'-P energy: -68.137
bonds (distance) P-C4' energy: -73.318
flat angles C4'-P-C4' energy: -94.354
flat angles P-C4'-P energy: -59.217
tors. eta vs tors. theta energy: -113.018
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: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -959.607571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.607571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.607571 (E_RNA)
where:
Base-Base interactions energy: -595.435
where: short stacking energy: -271.594
Base-Backbone interact. energy: -1.304
local terms energy: -362.868439
where:
bonds (distance) C4'-P energy: -83.529
bonds (distance) P-C4' energy: -89.654
flat angles C4'-P-C4' energy: -76.958
flat angles P-C4'-P energy: -55.445
tors. eta vs tors. theta energy: -57.283
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: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -796.874864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.874864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.874864 (E_RNA)
where:
Base-Base interactions energy: -504.550
where: short stacking energy: -229.079
Base-Backbone interact. energy: -0.022
local terms energy: -292.303127
where:
bonds (distance) C4'-P energy: -82.614
bonds (distance) P-C4' energy: -80.263
flat angles C4'-P-C4' energy: -69.371
flat angles P-C4'-P energy: -28.883
tors. eta vs tors. theta energy: -31.171
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: 319
Temperature: 0.900000
Total energy: -1843.082798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.082798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.082798 (E_RNA)
where:
Base-Base interactions energy: -1286.668
where: short stacking energy: -528.113
Base-Backbone interact. energy: -2.031
local terms energy: -554.383479
where:
bonds (distance) C4'-P energy: -100.243
bonds (distance) P-C4' energy: -90.898
flat angles C4'-P-C4' energy: -114.759
flat angles P-C4'-P energy: -86.770
tors. eta vs tors. theta energy: -161.714
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: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1801.796778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.796778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.796778 (E_RNA)
where:
Base-Base interactions energy: -1266.743
where: short stacking energy: -533.315
Base-Backbone interact. energy: -2.951
local terms energy: -532.102222
where:
bonds (distance) C4'-P energy: -98.181
bonds (distance) P-C4' energy: -92.897
flat angles C4'-P-C4' energy: -111.472
flat angles P-C4'-P energy: -76.748
tors. eta vs tors. theta energy: -152.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1738.021400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.021400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.021400 (E_RNA)
where:
Base-Base interactions energy: -1211.815
where: short stacking energy: -532.766
Base-Backbone interact. energy: -1.437
local terms energy: -524.768598
where:
bonds (distance) C4'-P energy: -77.871
bonds (distance) P-C4' energy: -99.857
flat angles C4'-P-C4' energy: -112.847
flat angles P-C4'-P energy: -77.040
tors. eta vs tors. theta energy: -157.153
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: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1670.552666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.552666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.552666 (E_RNA)
where:
Base-Base interactions energy: -1169.741
where: short stacking energy: -492.618
Base-Backbone interact. energy: -1.570
local terms energy: -499.242199
where:
bonds (distance) C4'-P energy: -94.040
bonds (distance) P-C4' energy: -88.271
flat angles C4'-P-C4' energy: -103.103
flat angles P-C4'-P energy: -74.150
tors. eta vs tors. theta energy: -139.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1598.387938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.387938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.387938 (E_RNA)
where:
Base-Base interactions energy: -1098.952
where: short stacking energy: -480.843
Base-Backbone interact. energy: -0.302
local terms energy: -499.133467
where:
bonds (distance) C4'-P energy: -81.123
bonds (distance) P-C4' energy: -96.492
flat angles C4'-P-C4' energy: -100.604
flat angles P-C4'-P energy: -75.237
tors. eta vs tors. theta energy: -145.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1554.817773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.817773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.817773 (E_RNA)
where:
Base-Base interactions energy: -1105.747
where: short stacking energy: -452.631
Base-Backbone interact. energy: 2.394
local terms energy: -451.464660
where:
bonds (distance) C4'-P energy: -80.094
bonds (distance) P-C4' energy: -82.671
flat angles C4'-P-C4' energy: -97.122
flat angles P-C4'-P energy: -66.957
tors. eta vs tors. theta energy: -124.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1484.307900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.307900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.307900 (E_RNA)
where:
Base-Base interactions energy: -1022.254
where: short stacking energy: -425.216
Base-Backbone interact. energy: 1.272
local terms energy: -463.325805
where:
bonds (distance) C4'-P energy: -86.934
bonds (distance) P-C4' energy: -99.529
flat angles C4'-P-C4' energy: -100.150
flat angles P-C4'-P energy: -59.131
tors. eta vs tors. theta energy: -117.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1253.071644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.071644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.071644 (E_RNA)
where:
Base-Base interactions energy: -848.640
where: short stacking energy: -363.702
Base-Backbone interact. energy: -3.979
local terms energy: -400.452300
where:
bonds (distance) C4'-P energy: -70.438
bonds (distance) P-C4' energy: -87.305
flat angles C4'-P-C4' energy: -92.293
flat angles P-C4'-P energy: -60.133
tors. eta vs tors. theta energy: -90.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -966.558497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.558497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.558497 (E_RNA)
where:
Base-Base interactions energy: -632.213
where: short stacking energy: -270.373
Base-Backbone interact. energy: -3.344
local terms energy: -331.000897
where:
bonds (distance) C4'-P energy: -73.679
bonds (distance) P-C4' energy: -64.893
flat angles C4'-P-C4' energy: -80.757
flat angles P-C4'-P energy: -55.020
tors. eta vs tors. theta energy: -56.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -786.192929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.192929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.192929 (E_RNA)
where:
Base-Base interactions energy: -493.250
where: short stacking energy: -231.018
Base-Backbone interact. energy: 2.870
local terms energy: -295.813191
where:
bonds (distance) C4'-P energy: -74.417
bonds (distance) P-C4' energy: -80.639
flat angles C4'-P-C4' energy: -67.125
flat angles P-C4'-P energy: -41.414
tors. eta vs tors. theta energy: -32.219
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: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1837.589503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.589503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.589503 (E_RNA)
where:
Base-Base interactions energy: -1271.729
where: short stacking energy: -554.501
Base-Backbone interact. energy: -3.624
local terms energy: -562.235841
where:
bonds (distance) C4'-P energy: -98.537
bonds (distance) P-C4' energy: -101.311
flat angles C4'-P-C4' energy: -114.733
flat angles P-C4'-P energy: -79.972
tors. eta vs tors. theta energy: -167.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1794.402169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.402169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.402169 (E_RNA)
where:
Base-Base interactions energy: -1252.184
where: short stacking energy: -521.221
Base-Backbone interact. energy: -4.842
local terms energy: -537.375556
where:
bonds (distance) C4'-P energy: -95.514
bonds (distance) P-C4' energy: -100.740
flat angles C4'-P-C4' energy: -110.948
flat angles P-C4'-P energy: -79.984
tors. eta vs tors. theta energy: -150.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1757.453087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.453087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.453087 (E_RNA)
where:
Base-Base interactions energy: -1246.047
where: short stacking energy: -536.540
Base-Backbone interact. energy: -1.857
local terms energy: -509.549373
where:
bonds (distance) C4'-P energy: -94.636
bonds (distance) P-C4' energy: -86.976
flat angles C4'-P-C4' energy: -113.433
flat angles P-C4'-P energy: -56.146
tors. eta vs tors. theta energy: -158.359
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: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1626.360629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.360629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.360629 (E_RNA)
where:
Base-Base interactions energy: -1145.233
where: short stacking energy: -476.893
Base-Backbone interact. energy: -0.043
local terms energy: -481.084735
where:
bonds (distance) C4'-P energy: -100.456
bonds (distance) P-C4' energy: -89.830
flat angles C4'-P-C4' energy: -93.225
flat angles P-C4'-P energy: -64.743
tors. eta vs tors. theta energy: -132.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1603.872747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.872747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.872747 (E_RNA)
where:
Base-Base interactions energy: -1119.346
where: short stacking energy: -456.819
Base-Backbone interact. energy: -1.804
local terms energy: -482.722409
where:
bonds (distance) C4'-P energy: -84.697
bonds (distance) P-C4' energy: -96.837
flat angles C4'-P-C4' energy: -98.053
flat angles P-C4'-P energy: -70.879
tors. eta vs tors. theta energy: -132.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1552.360815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.360815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.360815 (E_RNA)
where:
Base-Base interactions energy: -1089.183
where: short stacking energy: -440.155
Base-Backbone interact. energy: -1.871
local terms energy: -461.307226
where:
bonds (distance) C4'-P energy: -77.824
bonds (distance) P-C4' energy: -88.591
flat angles C4'-P-C4' energy: -103.662
flat angles P-C4'-P energy: -66.701
tors. eta vs tors. theta energy: -124.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1479.983973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.983973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.983973 (E_RNA)
where:
Base-Base interactions energy: -1057.941
where: short stacking energy: -436.488
Base-Backbone interact. energy: -1.882
local terms energy: -420.161155
where:
bonds (distance) C4'-P energy: -67.536
bonds (distance) P-C4' energy: -85.948
flat angles C4'-P-C4' energy: -95.018
flat angles P-C4'-P energy: -60.084
tors. eta vs tors. theta energy: -111.576
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: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1264.257366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.257366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.257366 (E_RNA)
where:
Base-Base interactions energy: -836.355
where: short stacking energy: -355.362
Base-Backbone interact. energy: 0.163
local terms energy: -428.064437
where:
bonds (distance) C4'-P energy: -78.191
bonds (distance) P-C4' energy: -95.209
flat angles C4'-P-C4' energy: -96.229
flat angles P-C4'-P energy: -62.711
tors. eta vs tors. theta energy: -95.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -969.396541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.396541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.396541 (E_RNA)
where:
Base-Base interactions energy: -599.372
where: short stacking energy: -290.639
Base-Backbone interact. energy: -1.388
local terms energy: -368.636389
where:
bonds (distance) C4'-P energy: -79.945
bonds (distance) P-C4' energy: -76.491
flat angles C4'-P-C4' energy: -78.845
flat angles P-C4'-P energy: -62.436
tors. eta vs tors. theta energy: -70.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -797.912916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.912916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.912916 (E_RNA)
where:
Base-Base interactions energy: -500.087
where: short stacking energy: -240.226
Base-Backbone interact. energy: 4.788
local terms energy: -302.613004
where:
bonds (distance) C4'-P energy: -74.549
bonds (distance) P-C4' energy: -81.044
flat angles C4'-P-C4' energy: -72.225
flat angles P-C4'-P energy: -39.639
tors. eta vs tors. theta energy: -35.156
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: 321
Temperature: 0.900000
Total energy: -1855.334046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.334046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.334046 (E_RNA)
where:
Base-Base interactions energy: -1315.501
where: short stacking energy: -527.663
Base-Backbone interact. energy: 0.916
local terms energy: -540.749280
where:
bonds (distance) C4'-P energy: -97.025
bonds (distance) P-C4' energy: -91.518
flat angles C4'-P-C4' energy: -107.748
flat angles P-C4'-P energy: -80.472
tors. eta vs tors. theta energy: -163.987
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: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1821.232132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.232132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.232132 (E_RNA)
where:
Base-Base interactions energy: -1263.285
where: short stacking energy: -521.252
Base-Backbone interact. energy: -0.452
local terms energy: -557.495406
where:
bonds (distance) C4'-P energy: -91.021
bonds (distance) P-C4' energy: -104.695
flat angles C4'-P-C4' energy: -115.013
flat angles P-C4'-P energy: -89.869
tors. eta vs tors. theta energy: -156.897
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: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1744.947158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.947158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.947158 (E_RNA)
where:
Base-Base interactions energy: -1231.315
where: short stacking energy: -520.528
Base-Backbone interact. energy: -1.430
local terms energy: -512.202204
where:
bonds (distance) C4'-P energy: -82.522
bonds (distance) P-C4' energy: -79.419
flat angles C4'-P-C4' energy: -119.686
flat angles P-C4'-P energy: -77.764
tors. eta vs tors. theta energy: -152.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1654.072842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.072842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.072842 (E_RNA)
where:
Base-Base interactions energy: -1178.333
where: short stacking energy: -480.257
Base-Backbone interact. energy: -2.096
local terms energy: -473.643581
where:
bonds (distance) C4'-P energy: -79.710
bonds (distance) P-C4' energy: -82.010
flat angles C4'-P-C4' energy: -94.562
flat angles P-C4'-P energy: -76.285
tors. eta vs tors. theta energy: -141.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1614.829060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.829060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.829060 (E_RNA)
where:
Base-Base interactions energy: -1139.317
where: short stacking energy: -474.574
Base-Backbone interact. energy: -2.551
local terms energy: -472.961709
where:
bonds (distance) C4'-P energy: -80.079
bonds (distance) P-C4' energy: -88.382
flat angles C4'-P-C4' energy: -101.350
flat angles P-C4'-P energy: -67.542
tors. eta vs tors. theta energy: -135.608
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: 5
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1547.899153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.899153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.899153 (E_RNA)
where:
Base-Base interactions energy: -1088.677
where: short stacking energy: -443.478
Base-Backbone interact. energy: -2.473
local terms energy: -456.749389
where:
bonds (distance) C4'-P energy: -91.486
bonds (distance) P-C4' energy: -75.572
flat angles C4'-P-C4' energy: -95.886
flat angles P-C4'-P energy: -70.225
tors. eta vs tors. theta energy: -123.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1466.788364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.788364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.788364 (E_RNA)
where:
Base-Base interactions energy: -1023.700
where: short stacking energy: -421.417
Base-Backbone interact. energy: -0.342
local terms energy: -442.746374
where:
bonds (distance) C4'-P energy: -73.675
bonds (distance) P-C4' energy: -86.623
flat angles C4'-P-C4' energy: -102.142
flat angles P-C4'-P energy: -58.892
tors. eta vs tors. theta energy: -121.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1233.719008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.719008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.719008 (E_RNA)
where:
Base-Base interactions energy: -836.340
where: short stacking energy: -358.340
Base-Backbone interact. energy: -1.904
local terms energy: -395.475206
where:
bonds (distance) C4'-P energy: -73.680
bonds (distance) P-C4' energy: -86.995
flat angles C4'-P-C4' energy: -82.675
flat angles P-C4'-P energy: -64.928
tors. eta vs tors. theta energy: -87.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -953.004039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.004039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.004039 (E_RNA)
where:
Base-Base interactions energy: -599.084
where: short stacking energy: -273.528
Base-Backbone interact. energy: -2.385
local terms energy: -351.535146
where:
bonds (distance) C4'-P energy: -82.981
bonds (distance) P-C4' energy: -88.559
flat angles C4'-P-C4' energy: -76.767
flat angles P-C4'-P energy: -47.643
tors. eta vs tors. theta energy: -55.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -807.671434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.671434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.671434 (E_RNA)
where:
Base-Base interactions energy: -509.644
where: short stacking energy: -244.727
Base-Backbone interact. energy: 1.069
local terms energy: -299.095998
where:
bonds (distance) C4'-P energy: -81.021
bonds (distance) P-C4' energy: -68.314
flat angles C4'-P-C4' energy: -78.863
flat angles P-C4'-P energy: -40.674
tors. eta vs tors. theta energy: -30.225
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: 322
Temperature: 0.900000
Total energy: -1858.078766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.078766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.078766 (E_RNA)
where:
Base-Base interactions energy: -1312.348
where: short stacking energy: -547.549
Base-Backbone interact. energy: -1.075
local terms energy: -544.655459
where:
bonds (distance) C4'-P energy: -91.075
bonds (distance) P-C4' energy: -96.981
flat angles C4'-P-C4' energy: -118.467
flat angles P-C4'-P energy: -76.532
tors. eta vs tors. theta energy: -161.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1781.664610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.664610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.664610 (E_RNA)
where:
Base-Base interactions energy: -1255.163
where: short stacking energy: -523.379
Base-Backbone interact. energy: -3.120
local terms energy: -523.382141
where:
bonds (distance) C4'-P energy: -88.101
bonds (distance) P-C4' energy: -101.807
flat angles C4'-P-C4' energy: -112.824
flat angles P-C4'-P energy: -73.623
tors. eta vs tors. theta energy: -147.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1762.007543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.007543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.007543 (E_RNA)
where:
Base-Base interactions energy: -1229.777
where: short stacking energy: -514.998
Base-Backbone interact. energy: -0.833
local terms energy: -531.398072
where:
bonds (distance) C4'-P energy: -89.326
bonds (distance) P-C4' energy: -106.484
flat angles C4'-P-C4' energy: -108.224
flat angles P-C4'-P energy: -63.987
tors. eta vs tors. theta energy: -163.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1636.953360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.953360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.953360 (E_RNA)
where:
Base-Base interactions energy: -1166.310
where: short stacking energy: -493.158
Base-Backbone interact. energy: 2.561
local terms energy: -473.204677
where:
bonds (distance) C4'-P energy: -73.811
bonds (distance) P-C4' energy: -86.027
flat angles C4'-P-C4' energy: -111.110
flat angles P-C4'-P energy: -63.545
tors. eta vs tors. theta energy: -138.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1624.630494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.630494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.630494 (E_RNA)
where:
Base-Base interactions energy: -1167.331
where: short stacking energy: -500.170
Base-Backbone interact. energy: -0.484
local terms energy: -456.815719
where:
bonds (distance) C4'-P energy: -82.344
bonds (distance) P-C4' energy: -79.995
flat angles C4'-P-C4' energy: -99.445
flat angles P-C4'-P energy: -59.959
tors. eta vs tors. theta energy: -135.072
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: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1556.356839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.356839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.356839 (E_RNA)
where:
Base-Base interactions energy: -1113.284
where: short stacking energy: -467.011
Base-Backbone interact. energy: -1.964
local terms energy: -441.108894
where:
bonds (distance) C4'-P energy: -74.485
bonds (distance) P-C4' energy: -90.722
flat angles C4'-P-C4' energy: -92.088
flat angles P-C4'-P energy: -52.283
tors. eta vs tors. theta energy: -131.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1496.107335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.107335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.107335 (E_RNA)
where:
Base-Base interactions energy: -1071.373
where: short stacking energy: -428.813
Base-Backbone interact. energy: 1.255
local terms energy: -425.989348
where:
bonds (distance) C4'-P energy: -70.061
bonds (distance) P-C4' energy: -94.168
flat angles C4'-P-C4' energy: -93.993
flat angles P-C4'-P energy: -65.283
tors. eta vs tors. theta energy: -102.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1262.924048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.924048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.924048 (E_RNA)
where:
Base-Base interactions energy: -871.749
where: short stacking energy: -357.666
Base-Backbone interact. energy: 0.970
local terms energy: -392.145357
where:
bonds (distance) C4'-P energy: -75.876
bonds (distance) P-C4' energy: -75.323
flat angles C4'-P-C4' energy: -86.948
flat angles P-C4'-P energy: -70.338
tors. eta vs tors. theta energy: -83.661
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: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -952.101146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.101146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.101146 (E_RNA)
where:
Base-Base interactions energy: -618.451
where: short stacking energy: -285.122
Base-Backbone interact. energy: 4.306
local terms energy: -337.956512
where:
bonds (distance) C4'-P energy: -64.118
bonds (distance) P-C4' energy: -74.862
flat angles C4'-P-C4' energy: -83.595
flat angles P-C4'-P energy: -58.092
tors. eta vs tors. theta energy: -57.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -800.832005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.832005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.832005 (E_RNA)
where:
Base-Base interactions energy: -497.614
where: short stacking energy: -240.069
Base-Backbone interact. energy: -1.365
local terms energy: -301.853320
where:
bonds (distance) C4'-P energy: -86.638
bonds (distance) P-C4' energy: -78.273
flat angles C4'-P-C4' energy: -69.360
flat angles P-C4'-P energy: -35.458
tors. eta vs tors. theta energy: -32.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1846.685898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.685898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.685898 (E_RNA)
where:
Base-Base interactions energy: -1319.499
where: short stacking energy: -559.331
Base-Backbone interact. energy: 0.103
local terms energy: -527.290060
where:
bonds (distance) C4'-P energy: -91.202
bonds (distance) P-C4' energy: -99.450
flat angles C4'-P-C4' energy: -112.507
flat angles P-C4'-P energy: -65.286
tors. eta vs tors. theta energy: -158.845
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: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1803.633943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.633943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.633943 (E_RNA)
where:
Base-Base interactions energy: -1273.797
where: short stacking energy: -542.440
Base-Backbone interact. energy: -2.891
local terms energy: -526.945697
where:
bonds (distance) C4'-P energy: -85.541
bonds (distance) P-C4' energy: -98.429
flat angles C4'-P-C4' energy: -112.603
flat angles P-C4'-P energy: -78.531
tors. eta vs tors. theta energy: -151.841
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: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1798.805446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.805446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.805446 (E_RNA)
where:
Base-Base interactions energy: -1249.208
where: short stacking energy: -550.655
Base-Backbone interact. energy: 2.558
local terms energy: -552.156114
where:
bonds (distance) C4'-P energy: -103.123
bonds (distance) P-C4' energy: -91.648
flat angles C4'-P-C4' energy: -110.207
flat angles P-C4'-P energy: -80.159
tors. eta vs tors. theta energy: -167.019
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: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1673.428597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.428597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.428597 (E_RNA)
where:
Base-Base interactions energy: -1155.478
where: short stacking energy: -498.918
Base-Backbone interact. energy: 1.751
local terms energy: -519.701298
where:
bonds (distance) C4'-P energy: -95.526
bonds (distance) P-C4' energy: -93.174
flat angles C4'-P-C4' energy: -119.885
flat angles P-C4'-P energy: -66.871
tors. eta vs tors. theta energy: -144.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1629.379099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.379099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.379099 (E_RNA)
where:
Base-Base interactions energy: -1145.626
where: short stacking energy: -468.638
Base-Backbone interact. energy: -1.078
local terms energy: -482.675459
where:
bonds (distance) C4'-P energy: -84.077
bonds (distance) P-C4' energy: -85.844
flat angles C4'-P-C4' energy: -103.361
flat angles P-C4'-P energy: -64.083
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: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1518.210524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.210524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.210524 (E_RNA)
where:
Base-Base interactions energy: -1069.145
where: short stacking energy: -441.921
Base-Backbone interact. energy: -0.758
local terms energy: -448.307525
where:
bonds (distance) C4'-P energy: -81.911
bonds (distance) P-C4' energy: -70.810
flat angles C4'-P-C4' energy: -102.269
flat angles P-C4'-P energy: -71.095
tors. eta vs tors. theta energy: -122.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1451.970500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.970500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.970500 (E_RNA)
where:
Base-Base interactions energy: -1037.953
where: short stacking energy: -423.761
Base-Backbone interact. energy: 4.384
local terms energy: -418.402196
where:
bonds (distance) C4'-P energy: -75.339
bonds (distance) P-C4' energy: -78.556
flat angles C4'-P-C4' energy: -84.807
flat angles P-C4'-P energy: -58.074
tors. eta vs tors. theta energy: -121.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1282.072354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.072354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.072354 (E_RNA)
where:
Base-Base interactions energy: -868.851
where: short stacking energy: -395.859
Base-Backbone interact. energy: 0.969
local terms energy: -414.190128
where:
bonds (distance) C4'-P energy: -78.993
bonds (distance) P-C4' energy: -91.591
flat angles C4'-P-C4' energy: -82.281
flat angles P-C4'-P energy: -48.400
tors. eta vs tors. theta energy: -112.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -957.492922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.492922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.492922 (E_RNA)
where:
Base-Base interactions energy: -617.501
where: short stacking energy: -279.522
Base-Backbone interact. energy: 3.074
local terms energy: -343.066386
where:
bonds (distance) C4'-P energy: -73.934
bonds (distance) P-C4' energy: -85.179
flat angles C4'-P-C4' energy: -76.671
flat angles P-C4'-P energy: -58.950
tors. eta vs tors. theta energy: -48.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -773.263200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.263200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.263200 (E_RNA)
where:
Base-Base interactions energy: -485.227
where: short stacking energy: -220.736
Base-Backbone interact. energy: 6.661
local terms energy: -294.697210
where:
bonds (distance) C4'-P energy: -84.441
bonds (distance) P-C4' energy: -80.985
flat angles C4'-P-C4' energy: -58.989
flat angles P-C4'-P energy: -39.884
tors. eta vs tors. theta energy: -30.399
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: 324
Temperature: 0.900000
Total energy: -1847.301252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.301252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.301252 (E_RNA)
where:
Base-Base interactions energy: -1310.879
where: short stacking energy: -553.947
Base-Backbone interact. energy: 0.250
local terms energy: -536.672210
where:
bonds (distance) C4'-P energy: -87.102
bonds (distance) P-C4' energy: -100.022
flat angles C4'-P-C4' energy: -113.599
flat angles P-C4'-P energy: -73.629
tors. eta vs tors. theta energy: -162.319
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: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1799.131387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.131387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.131387 (E_RNA)
where:
Base-Base interactions energy: -1280.917
where: short stacking energy: -549.503
Base-Backbone interact. energy: -4.083
local terms energy: -514.131681
where:
bonds (distance) C4'-P energy: -90.947
bonds (distance) P-C4' energy: -88.935
flat angles C4'-P-C4' energy: -106.792
flat angles P-C4'-P energy: -75.986
tors. eta vs tors. theta energy: -151.471
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: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1756.044128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.044128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.044128 (E_RNA)
where:
Base-Base interactions energy: -1237.933
where: short stacking energy: -537.611
Base-Backbone interact. energy: 0.531
local terms energy: -518.642165
where:
bonds (distance) C4'-P energy: -94.047
bonds (distance) P-C4' energy: -84.396
flat angles C4'-P-C4' energy: -106.023
flat angles P-C4'-P energy: -75.970
tors. eta vs tors. theta energy: -158.206
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: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1701.982303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.982303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.982303 (E_RNA)
where:
Base-Base interactions energy: -1200.823
where: short stacking energy: -500.208
Base-Backbone interact. energy: -0.238
local terms energy: -500.921893
where:
bonds (distance) C4'-P energy: -89.849
bonds (distance) P-C4' energy: -92.337
flat angles C4'-P-C4' energy: -102.863
flat angles P-C4'-P energy: -66.333
tors. eta vs tors. theta energy: -149.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1613.405242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.405242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.405242 (E_RNA)
where:
Base-Base interactions energy: -1124.470
where: short stacking energy: -479.652
Base-Backbone interact. energy: 1.959
local terms energy: -490.894127
where:
bonds (distance) C4'-P energy: -84.215
bonds (distance) P-C4' energy: -93.723
flat angles C4'-P-C4' energy: -99.368
flat angles P-C4'-P energy: -68.945
tors. eta vs tors. theta energy: -144.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1519.079948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.079948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.079948 (E_RNA)
where:
Base-Base interactions energy: -1085.011
where: short stacking energy: -459.140
Base-Backbone interact. energy: -1.484
local terms energy: -432.585180
where:
bonds (distance) C4'-P energy: -83.545
bonds (distance) P-C4' energy: -88.738
flat angles C4'-P-C4' energy: -76.776
flat angles P-C4'-P energy: -60.180
tors. eta vs tors. theta energy: -123.346
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: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1441.128268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.128268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.128268 (E_RNA)
where:
Base-Base interactions energy: -1014.753
where: short stacking energy: -411.956
Base-Backbone interact. energy: 0.782
local terms energy: -427.157658
where:
bonds (distance) C4'-P energy: -72.651
bonds (distance) P-C4' energy: -78.476
flat angles C4'-P-C4' energy: -100.692
flat angles P-C4'-P energy: -72.372
tors. eta vs tors. theta energy: -102.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1284.882770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.882770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.882770 (E_RNA)
where:
Base-Base interactions energy: -873.823
where: short stacking energy: -371.652
Base-Backbone interact. energy: -1.620
local terms energy: -409.440144
where:
bonds (distance) C4'-P energy: -69.364
bonds (distance) P-C4' energy: -87.529
flat angles C4'-P-C4' energy: -101.048
flat angles P-C4'-P energy: -57.678
tors. eta vs tors. theta energy: -93.820
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: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -934.899993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.899993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.899993 (E_RNA)
where:
Base-Base interactions energy: -587.056
where: short stacking energy: -274.443
Base-Backbone interact. energy: 0.424
local terms energy: -348.268152
where:
bonds (distance) C4'-P energy: -71.662
bonds (distance) P-C4' energy: -83.340
flat angles C4'-P-C4' energy: -83.082
flat angles P-C4'-P energy: -64.690
tors. eta vs tors. theta energy: -45.493
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: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -836.493841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.493841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.493841 (E_RNA)
where:
Base-Base interactions energy: -554.675
where: short stacking energy: -256.572
Base-Backbone interact. energy: -1.425
local terms energy: -280.393534
where:
bonds (distance) C4'-P energy: -62.716
bonds (distance) P-C4' energy: -80.106
flat angles C4'-P-C4' energy: -69.167
flat angles P-C4'-P energy: -33.761
tors. eta vs tors. theta energy: -34.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1842.355880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.355880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.355880 (E_RNA)
where:
Base-Base interactions energy: -1277.694
where: short stacking energy: -539.309
Base-Backbone interact. energy: -0.583
local terms energy: -564.078470
where:
bonds (distance) C4'-P energy: -105.441
bonds (distance) P-C4' energy: -98.395
flat angles C4'-P-C4' energy: -111.585
flat angles P-C4'-P energy: -87.290
tors. eta vs tors. theta energy: -161.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1766.840471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.840471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.840471 (E_RNA)
where:
Base-Base interactions energy: -1249.592
where: short stacking energy: -513.286
Base-Backbone interact. energy: 0.289
local terms energy: -517.536842
where:
bonds (distance) C4'-P energy: -97.908
bonds (distance) P-C4' energy: -87.928
flat angles C4'-P-C4' energy: -100.160
flat angles P-C4'-P energy: -89.534
tors. eta vs tors. theta energy: -142.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1794.819259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.819259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.819259 (E_RNA)
where:
Base-Base interactions energy: -1263.059
where: short stacking energy: -545.534
Base-Backbone interact. energy: -0.553
local terms energy: -531.207728
where:
bonds (distance) C4'-P energy: -80.261
bonds (distance) P-C4' energy: -101.334
flat angles C4'-P-C4' energy: -112.945
flat angles P-C4'-P energy: -75.400
tors. eta vs tors. theta energy: -161.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1696.653815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.653815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.653815 (E_RNA)
where:
Base-Base interactions energy: -1213.193
where: short stacking energy: -514.887
Base-Backbone interact. energy: 2.317
local terms energy: -485.777161
where:
bonds (distance) C4'-P energy: -80.308
bonds (distance) P-C4' energy: -80.180
flat angles C4'-P-C4' energy: -103.875
flat angles P-C4'-P energy: -75.072
tors. eta vs tors. theta energy: -146.343
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: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1640.264109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.264109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.264109 (E_RNA)
where:
Base-Base interactions energy: -1147.585
where: short stacking energy: -462.596
Base-Backbone interact. energy: -0.656
local terms energy: -492.022838
where:
bonds (distance) C4'-P energy: -87.671
bonds (distance) P-C4' energy: -95.326
flat angles C4'-P-C4' energy: -100.277
flat angles P-C4'-P energy: -77.373
tors. eta vs tors. theta energy: -131.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1484.289739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.289739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.289739 (E_RNA)
where:
Base-Base interactions energy: -1003.705
where: short stacking energy: -417.813
Base-Backbone interact. energy: -1.043
local terms energy: -479.541587
where:
bonds (distance) C4'-P energy: -97.094
bonds (distance) P-C4' energy: -98.499
flat angles C4'-P-C4' energy: -99.032
flat angles P-C4'-P energy: -58.221
tors. eta vs tors. theta energy: -126.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1425.872984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.872984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.872984 (E_RNA)
where:
Base-Base interactions energy: -995.878
where: short stacking energy: -422.708
Base-Backbone interact. energy: -2.612
local terms energy: -427.382972
where:
bonds (distance) C4'-P energy: -74.361
bonds (distance) P-C4' energy: -83.851
flat angles C4'-P-C4' energy: -96.507
flat angles P-C4'-P energy: -58.300
tors. eta vs tors. theta energy: -114.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1319.353383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.353383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.353383 (E_RNA)
where:
Base-Base interactions energy: -903.992
where: short stacking energy: -391.519
Base-Backbone interact. energy: -1.327
local terms energy: -414.034487
where:
bonds (distance) C4'-P energy: -82.376
bonds (distance) P-C4' energy: -73.421
flat angles C4'-P-C4' energy: -96.041
flat angles P-C4'-P energy: -56.391
tors. eta vs tors. theta energy: -105.805
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: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -931.028094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.028094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.028094 (E_RNA)
where:
Base-Base interactions energy: -595.117
where: short stacking energy: -272.802
Base-Backbone interact. energy: 5.909
local terms energy: -341.820165
where:
bonds (distance) C4'-P energy: -72.430
bonds (distance) P-C4' energy: -81.249
flat angles C4'-P-C4' energy: -79.772
flat angles P-C4'-P energy: -52.466
tors. eta vs tors. theta energy: -55.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -854.708873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.708873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.708873 (E_RNA)
where:
Base-Base interactions energy: -524.728
where: short stacking energy: -241.877
Base-Backbone interact. energy: -0.895
local terms energy: -329.086194
where:
bonds (distance) C4'-P energy: -72.395
bonds (distance) P-C4' energy: -84.263
flat angles C4'-P-C4' energy: -73.079
flat angles P-C4'-P energy: -61.933
tors. eta vs tors. theta energy: -37.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1844.129603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.129603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.129603 (E_RNA)
where:
Base-Base interactions energy: -1302.135
where: short stacking energy: -565.757
Base-Backbone interact. energy: -1.822
local terms energy: -540.171788
where:
bonds (distance) C4'-P energy: -93.834
bonds (distance) P-C4' energy: -95.700
flat angles C4'-P-C4' energy: -109.329
flat angles P-C4'-P energy: -77.362
tors. eta vs tors. theta energy: -163.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1791.526429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.526429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.526429 (E_RNA)
where:
Base-Base interactions energy: -1281.522
where: short stacking energy: -528.439
Base-Backbone interact. energy: -1.551
local terms energy: -508.453298
where:
bonds (distance) C4'-P energy: -90.158
bonds (distance) P-C4' energy: -98.715
flat angles C4'-P-C4' energy: -99.116
flat angles P-C4'-P energy: -80.827
tors. eta vs tors. theta energy: -139.638
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: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1763.656812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.656812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.656812 (E_RNA)
where:
Base-Base interactions energy: -1240.618
where: short stacking energy: -492.248
Base-Backbone interact. energy: -2.045
local terms energy: -520.994786
where:
bonds (distance) C4'-P energy: -88.600
bonds (distance) P-C4' energy: -103.093
flat angles C4'-P-C4' energy: -104.569
flat angles P-C4'-P energy: -74.837
tors. eta vs tors. theta energy: -149.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1712.432167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.432167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.432167 (E_RNA)
where:
Base-Base interactions energy: -1225.755
where: short stacking energy: -503.865
Base-Backbone interact. energy: -2.204
local terms energy: -484.473223
where:
bonds (distance) C4'-P energy: -85.042
bonds (distance) P-C4' energy: -80.288
flat angles C4'-P-C4' energy: -96.628
flat angles P-C4'-P energy: -71.132
tors. eta vs tors. theta energy: -151.382
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: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1646.472732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.472732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.472732 (E_RNA)
where:
Base-Base interactions energy: -1147.087
where: short stacking energy: -480.609
Base-Backbone interact. energy: -1.511
local terms energy: -497.874059
where:
bonds (distance) C4'-P energy: -74.605
bonds (distance) P-C4' energy: -103.154
flat angles C4'-P-C4' energy: -103.857
flat angles P-C4'-P energy: -69.775
tors. eta vs tors. theta energy: -146.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1479.246028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.246028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.246028 (E_RNA)
where:
Base-Base interactions energy: -1035.829
where: short stacking energy: -425.626
Base-Backbone interact. energy: -1.234
local terms energy: -442.182933
where:
bonds (distance) C4'-P energy: -74.631
bonds (distance) P-C4' energy: -77.854
flat angles C4'-P-C4' energy: -112.197
flat angles P-C4'-P energy: -65.041
tors. eta vs tors. theta energy: -112.461
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: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1419.223144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.223144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.223144 (E_RNA)
where:
Base-Base interactions energy: -994.597
where: short stacking energy: -392.314
Base-Backbone interact. energy: 0.518
local terms energy: -425.143798
where:
bonds (distance) C4'-P energy: -66.083
bonds (distance) P-C4' energy: -81.775
flat angles C4'-P-C4' energy: -95.826
flat angles P-C4'-P energy: -72.635
tors. eta vs tors. theta energy: -108.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1364.691722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.691722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.691722 (E_RNA)
where:
Base-Base interactions energy: -957.716
where: short stacking energy: -406.327
Base-Backbone interact. energy: 0.519
local terms energy: -407.494984
where:
bonds (distance) C4'-P energy: -77.810
bonds (distance) P-C4' energy: -70.288
flat angles C4'-P-C4' energy: -96.208
flat angles P-C4'-P energy: -49.611
tors. eta vs tors. theta energy: -113.578
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: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -951.846759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.846759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.846759 (E_RNA)
where:
Base-Base interactions energy: -624.669
where: short stacking energy: -292.782
Base-Backbone interact. energy: 1.396
local terms energy: -328.573736
where:
bonds (distance) C4'-P energy: -92.220
bonds (distance) P-C4' energy: -63.576
flat angles C4'-P-C4' energy: -75.141
flat angles P-C4'-P energy: -46.563
tors. eta vs tors. theta energy: -51.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -893.152789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.152789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.152789 (E_RNA)
where:
Base-Base interactions energy: -566.505
where: short stacking energy: -267.462
Base-Backbone interact. energy: -1.262
local terms energy: -325.385333
where:
bonds (distance) C4'-P energy: -66.543
bonds (distance) P-C4' energy: -91.257
flat angles C4'-P-C4' energy: -91.305
flat angles P-C4'-P energy: -38.346
tors. eta vs tors. theta energy: -37.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1833.195385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.195385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.195385 (E_RNA)
where:
Base-Base interactions energy: -1283.901
where: short stacking energy: -544.199
Base-Backbone interact. energy: -2.244
local terms energy: -547.050064
where:
bonds (distance) C4'-P energy: -87.167
bonds (distance) P-C4' energy: -109.367
flat angles C4'-P-C4' energy: -107.391
flat angles P-C4'-P energy: -85.708
tors. eta vs tors. theta energy: -157.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1823.672864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.672864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.672864 (E_RNA)
where:
Base-Base interactions energy: -1291.414
where: short stacking energy: -521.207
Base-Backbone interact. energy: -0.995
local terms energy: -531.263317
where:
bonds (distance) C4'-P energy: -84.600
bonds (distance) P-C4' energy: -95.607
flat angles C4'-P-C4' energy: -113.802
flat angles P-C4'-P energy: -84.510
tors. eta vs tors. theta energy: -152.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1766.481205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.481205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.481205 (E_RNA)
where:
Base-Base interactions energy: -1237.782
where: short stacking energy: -526.920
Base-Backbone interact. energy: -2.132
local terms energy: -526.567419
where:
bonds (distance) C4'-P energy: -84.371
bonds (distance) P-C4' energy: -88.294
flat angles C4'-P-C4' energy: -113.786
flat angles P-C4'-P energy: -82.439
tors. eta vs tors. theta energy: -157.678
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: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1684.046303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.046303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.046303 (E_RNA)
where:
Base-Base interactions energy: -1172.513
where: short stacking energy: -498.907
Base-Backbone interact. energy: 1.592
local terms energy: -513.125838
where:
bonds (distance) C4'-P energy: -94.976
bonds (distance) P-C4' energy: -85.462
flat angles C4'-P-C4' energy: -104.448
flat angles P-C4'-P energy: -76.608
tors. eta vs tors. theta energy: -151.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1646.188270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.188270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.188270 (E_RNA)
where:
Base-Base interactions energy: -1156.886
where: short stacking energy: -480.037
Base-Backbone interact. energy: -0.372
local terms energy: -488.929988
where:
bonds (distance) C4'-P energy: -93.105
bonds (distance) P-C4' energy: -88.861
flat angles C4'-P-C4' energy: -105.757
flat angles P-C4'-P energy: -61.822
tors. eta vs tors. theta energy: -139.385
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: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1471.467394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.467394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.467394 (E_RNA)
where:
Base-Base interactions energy: -1037.512
where: short stacking energy: -434.027
Base-Backbone interact. energy: 3.918
local terms energy: -437.874163
where:
bonds (distance) C4'-P energy: -75.236
bonds (distance) P-C4' energy: -80.762
flat angles C4'-P-C4' energy: -91.285
flat angles P-C4'-P energy: -62.688
tors. eta vs tors. theta energy: -127.903
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: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1457.117006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.117006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.117006 (E_RNA)
where:
Base-Base interactions energy: -1011.395
where: short stacking energy: -432.498
Base-Backbone interact. energy: 2.564
local terms energy: -448.285650
where:
bonds (distance) C4'-P energy: -80.419
bonds (distance) P-C4' energy: -81.145
flat angles C4'-P-C4' energy: -99.797
flat angles P-C4'-P energy: -59.826
tors. eta vs tors. theta energy: -127.099
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: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1314.366027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.366027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.366027 (E_RNA)
where:
Base-Base interactions energy: -887.529
where: short stacking energy: -384.708
Base-Backbone interact. energy: -0.900
local terms energy: -425.937107
where:
bonds (distance) C4'-P energy: -76.737
bonds (distance) P-C4' energy: -77.364
flat angles C4'-P-C4' energy: -86.990
flat angles P-C4'-P energy: -65.991
tors. eta vs tors. theta energy: -118.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -925.519450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.519450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.519450 (E_RNA)
where:
Base-Base interactions energy: -600.361
where: short stacking energy: -286.202
Base-Backbone interact. energy: -2.419
local terms energy: -322.739699
where:
bonds (distance) C4'-P energy: -73.558
bonds (distance) P-C4' energy: -68.375
flat angles C4'-P-C4' energy: -79.657
flat angles P-C4'-P energy: -41.116
tors. eta vs tors. theta energy: -60.034
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: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -834.151497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.151497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.151497 (E_RNA)
where:
Base-Base interactions energy: -518.308
where: short stacking energy: -240.798
Base-Backbone interact. energy: -0.297
local terms energy: -315.546251
where:
bonds (distance) C4'-P energy: -94.367
bonds (distance) P-C4' energy: -76.125
flat angles C4'-P-C4' energy: -66.067
flat angles P-C4'-P energy: -45.130
tors. eta vs tors. theta energy: -33.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1852.462408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.462408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.462408 (E_RNA)
where:
Base-Base interactions energy: -1297.905
where: short stacking energy: -543.085
Base-Backbone interact. energy: -4.132
local terms energy: -550.425100
where:
bonds (distance) C4'-P energy: -89.757
bonds (distance) P-C4' energy: -109.448
flat angles C4'-P-C4' energy: -118.026
flat angles P-C4'-P energy: -81.668
tors. eta vs tors. theta energy: -151.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1810.052610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.052610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.052610 (E_RNA)
where:
Base-Base interactions energy: -1282.161
where: short stacking energy: -546.568
Base-Backbone interact. energy: -1.017
local terms energy: -526.875026
where:
bonds (distance) C4'-P energy: -91.589
bonds (distance) P-C4' energy: -88.716
flat angles C4'-P-C4' energy: -118.544
flat angles P-C4'-P energy: -74.843
tors. eta vs tors. theta energy: -153.184
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: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1757.384646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.384646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.384646 (E_RNA)
where:
Base-Base interactions energy: -1232.611
where: short stacking energy: -506.152
Base-Backbone interact. energy: 0.116
local terms energy: -524.889420
where:
bonds (distance) C4'-P energy: -87.124
bonds (distance) P-C4' energy: -110.110
flat angles C4'-P-C4' energy: -109.858
flat angles P-C4'-P energy: -71.843
tors. eta vs tors. theta energy: -145.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1688.819062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.819062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.819062 (E_RNA)
where:
Base-Base interactions energy: -1178.340
where: short stacking energy: -511.738
Base-Backbone interact. energy: -1.020
local terms energy: -509.459761
where:
bonds (distance) C4'-P energy: -96.941
bonds (distance) P-C4' energy: -91.370
flat angles C4'-P-C4' energy: -110.695
flat angles P-C4'-P energy: -63.620
tors. eta vs tors. theta energy: -146.833
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: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1613.887753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.887753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.887753 (E_RNA)
where:
Base-Base interactions energy: -1120.648
where: short stacking energy: -477.171
Base-Backbone interact. energy: -1.706
local terms energy: -491.533998
where:
bonds (distance) C4'-P energy: -101.508
bonds (distance) P-C4' energy: -92.066
flat angles C4'-P-C4' energy: -94.529
flat angles P-C4'-P energy: -68.327
tors. eta vs tors. theta energy: -135.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1472.151303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.151303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.151303 (E_RNA)
where:
Base-Base interactions energy: -1024.741
where: short stacking energy: -421.414
Base-Backbone interact. energy: -1.599
local terms energy: -445.810439
where:
bonds (distance) C4'-P energy: -79.524
bonds (distance) P-C4' energy: -80.771
flat angles C4'-P-C4' energy: -105.025
flat angles P-C4'-P energy: -61.990
tors. eta vs tors. theta energy: -118.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1467.018334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.018334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.018334 (E_RNA)
where:
Base-Base interactions energy: -1018.281
where: short stacking energy: -428.770
Base-Backbone interact. energy: -0.688
local terms energy: -448.048603
where:
bonds (distance) C4'-P energy: -87.701
bonds (distance) P-C4' energy: -75.521
flat angles C4'-P-C4' energy: -101.117
flat angles P-C4'-P energy: -75.871
tors. eta vs tors. theta energy: -107.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1272.901757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.901757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.901757 (E_RNA)
where:
Base-Base interactions energy: -856.868
where: short stacking energy: -352.305
Base-Backbone interact. energy: -1.571
local terms energy: -414.463437
where:
bonds (distance) C4'-P energy: -81.693
bonds (distance) P-C4' energy: -101.424
flat angles C4'-P-C4' energy: -99.956
flat angles P-C4'-P energy: -47.201
tors. eta vs tors. theta energy: -84.190
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: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -940.945623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.945623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.945623 (E_RNA)
where:
Base-Base interactions energy: -618.658
where: short stacking energy: -263.339
Base-Backbone interact. energy: 0.949
local terms energy: -323.235989
where:
bonds (distance) C4'-P energy: -59.754
bonds (distance) P-C4' energy: -90.843
flat angles C4'-P-C4' energy: -76.563
flat angles P-C4'-P energy: -52.601
tors. eta vs tors. theta energy: -43.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -889.072176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.072176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.072176 (E_RNA)
where:
Base-Base interactions energy: -541.837
where: short stacking energy: -251.883
Base-Backbone interact. energy: -0.424
local terms energy: -346.810869
where:
bonds (distance) C4'-P energy: -83.129
bonds (distance) P-C4' energy: -81.248
flat angles C4'-P-C4' energy: -89.930
flat angles P-C4'-P energy: -45.096
tors. eta vs tors. theta energy: -47.408
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: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1878.158857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.158857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.158857 (E_RNA)
where:
Base-Base interactions energy: -1333.170
where: short stacking energy: -545.129
Base-Backbone interact. energy: -4.399
local terms energy: -540.589926
where:
bonds (distance) C4'-P energy: -90.046
bonds (distance) P-C4' energy: -101.894
flat angles C4'-P-C4' energy: -115.683
flat angles P-C4'-P energy: -79.167
tors. eta vs tors. theta energy: -153.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1803.583656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.583656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.583656 (E_RNA)
where:
Base-Base interactions energy: -1267.557
where: short stacking energy: -551.627
Base-Backbone interact. energy: -0.091
local terms energy: -535.934801
where:
bonds (distance) C4'-P energy: -92.103
bonds (distance) P-C4' energy: -92.048
flat angles C4'-P-C4' energy: -120.980
flat angles P-C4'-P energy: -74.110
tors. eta vs tors. theta energy: -156.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1761.174475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.174475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.174475 (E_RNA)
where:
Base-Base interactions energy: -1218.358
where: short stacking energy: -514.552
Base-Backbone interact. energy: -2.289
local terms energy: -540.528060
where:
bonds (distance) C4'-P energy: -96.108
bonds (distance) P-C4' energy: -98.997
flat angles C4'-P-C4' energy: -117.586
flat angles P-C4'-P energy: -73.339
tors. eta vs tors. theta energy: -154.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1724.234834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.234834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.234834 (E_RNA)
where:
Base-Base interactions energy: -1215.598
where: short stacking energy: -501.311
Base-Backbone interact. energy: -2.398
local terms energy: -506.239290
where:
bonds (distance) C4'-P energy: -88.362
bonds (distance) P-C4' energy: -105.093
flat angles C4'-P-C4' energy: -102.589
flat angles P-C4'-P energy: -62.098
tors. eta vs tors. theta energy: -148.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1631.781531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.781531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.781531 (E_RNA)
where:
Base-Base interactions energy: -1147.802
where: short stacking energy: -459.691
Base-Backbone interact. energy: -0.946
local terms energy: -483.033747
where:
bonds (distance) C4'-P energy: -85.820
bonds (distance) P-C4' energy: -88.383
flat angles C4'-P-C4' energy: -100.894
flat angles P-C4'-P energy: -73.795
tors. eta vs tors. theta energy: -134.142
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: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1487.607577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.607577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.607577 (E_RNA)
where:
Base-Base interactions energy: -1076.140
where: short stacking energy: -434.723
Base-Backbone interact. energy: 4.706
local terms energy: -416.173354
where:
bonds (distance) C4'-P energy: -62.039
bonds (distance) P-C4' energy: -87.446
flat angles C4'-P-C4' energy: -92.249
flat angles P-C4'-P energy: -59.194
tors. eta vs tors. theta energy: -115.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1432.086334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.086334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.086334 (E_RNA)
where:
Base-Base interactions energy: -988.507
where: short stacking energy: -419.284
Base-Backbone interact. energy: 0.653
local terms energy: -444.232161
where:
bonds (distance) C4'-P energy: -76.901
bonds (distance) P-C4' energy: -90.426
flat angles C4'-P-C4' energy: -98.424
flat angles P-C4'-P energy: -59.576
tors. eta vs tors. theta energy: -118.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1280.796448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.796448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.796448 (E_RNA)
where:
Base-Base interactions energy: -869.399
where: short stacking energy: -359.677
Base-Backbone interact. energy: -0.594
local terms energy: -410.803413
where:
bonds (distance) C4'-P energy: -88.589
bonds (distance) P-C4' energy: -86.667
flat angles C4'-P-C4' energy: -92.935
flat angles P-C4'-P energy: -48.124
tors. eta vs tors. theta energy: -94.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -947.755682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.755682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.755682 (E_RNA)
where:
Base-Base interactions energy: -596.602
where: short stacking energy: -282.464
Base-Backbone interact. energy: 0.969
local terms energy: -352.123112
where:
bonds (distance) C4'-P energy: -79.171
bonds (distance) P-C4' energy: -73.120
flat angles C4'-P-C4' energy: -89.771
flat angles P-C4'-P energy: -53.735
tors. eta vs tors. theta energy: -56.326
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: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -806.142972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.142972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.142972 (E_RNA)
where:
Base-Base interactions energy: -506.649
where: short stacking energy: -214.698
Base-Backbone interact. energy: 1.984
local terms energy: -301.478746
where:
bonds (distance) C4'-P energy: -64.325
bonds (distance) P-C4' energy: -90.317
flat angles C4'-P-C4' energy: -66.144
flat angles P-C4'-P energy: -45.989
tors. eta vs tors. theta energy: -34.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1865.210054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.210054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.210054 (E_RNA)
where:
Base-Base interactions energy: -1323.365
where: short stacking energy: -551.721
Base-Backbone interact. energy: 0.708
local terms energy: -542.553657
where:
bonds (distance) C4'-P energy: -94.900
bonds (distance) P-C4' energy: -86.436
flat angles C4'-P-C4' energy: -113.542
flat angles P-C4'-P energy: -90.996
tors. eta vs tors. theta energy: -156.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1812.616739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.616739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.616739 (E_RNA)
where:
Base-Base interactions energy: -1264.195
where: short stacking energy: -535.445
Base-Backbone interact. energy: -2.531
local terms energy: -545.890841
where:
bonds (distance) C4'-P energy: -105.397
bonds (distance) P-C4' energy: -93.087
flat angles C4'-P-C4' energy: -111.073
flat angles P-C4'-P energy: -74.762
tors. eta vs tors. theta energy: -161.571
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: 330
Temperature: 1.000000
Total energy: -1769.523018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.523018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.523018 (E_RNA)
where:
Base-Base interactions energy: -1240.316
where: short stacking energy: -530.787
Base-Backbone interact. energy: -1.131
local terms energy: -528.076152
where:
bonds (distance) C4'-P energy: -94.109
bonds (distance) P-C4' energy: -88.281
flat angles C4'-P-C4' energy: -112.145
flat angles P-C4'-P energy: -72.753
tors. eta vs tors. theta energy: -160.788
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: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1702.787954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.787954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.787954 (E_RNA)
where:
Base-Base interactions energy: -1202.325
where: short stacking energy: -501.231
Base-Backbone interact. energy: -2.628
local terms energy: -497.834486
where:
bonds (distance) C4'-P energy: -88.384
bonds (distance) P-C4' energy: -82.178
flat angles C4'-P-C4' energy: -107.468
flat angles P-C4'-P energy: -75.729
tors. eta vs tors. theta energy: -144.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1650.961207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.961207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.961207 (E_RNA)
where:
Base-Base interactions energy: -1173.214
where: short stacking energy: -469.823
Base-Backbone interact. energy: -1.060
local terms energy: -476.687443
where:
bonds (distance) C4'-P energy: -78.627
bonds (distance) P-C4' energy: -90.366
flat angles C4'-P-C4' energy: -109.448
flat angles P-C4'-P energy: -58.241
tors. eta vs tors. theta energy: -140.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1542.852187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.852187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.852187 (E_RNA)
where:
Base-Base interactions energy: -1095.089
where: short stacking energy: -467.605
Base-Backbone interact. energy: -3.660
local terms energy: -444.103173
where:
bonds (distance) C4'-P energy: -75.350
bonds (distance) P-C4' energy: -78.044
flat angles C4'-P-C4' energy: -89.694
flat angles P-C4'-P energy: -61.244
tors. eta vs tors. theta energy: -139.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1412.464166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.464166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.464166 (E_RNA)
where:
Base-Base interactions energy: -983.091
where: short stacking energy: -390.403
Base-Backbone interact. energy: -2.414
local terms energy: -426.959160
where:
bonds (distance) C4'-P energy: -86.399
bonds (distance) P-C4' energy: -99.294
flat angles C4'-P-C4' energy: -86.579
flat angles P-C4'-P energy: -48.605
tors. eta vs tors. theta energy: -106.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1352.413983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.413983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.413983 (E_RNA)
where:
Base-Base interactions energy: -910.363
where: short stacking energy: -378.450
Base-Backbone interact. energy: 0.955
local terms energy: -443.005928
where:
bonds (distance) C4'-P energy: -83.949
bonds (distance) P-C4' energy: -90.400
flat angles C4'-P-C4' energy: -91.982
flat angles P-C4'-P energy: -63.298
tors. eta vs tors. theta energy: -113.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -890.038980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.038980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.038980 (E_RNA)
where:
Base-Base interactions energy: -564.481
where: short stacking energy: -257.270
Base-Backbone interact. energy: 1.147
local terms energy: -326.705405
where:
bonds (distance) C4'-P energy: -71.668
bonds (distance) P-C4' energy: -87.923
flat angles C4'-P-C4' energy: -78.213
flat angles P-C4'-P energy: -43.034
tors. eta vs tors. theta energy: -45.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -902.709500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.709500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.709500 (E_RNA)
where:
Base-Base interactions energy: -567.503
where: short stacking energy: -257.740
Base-Backbone interact. energy: 4.032
local terms energy: -339.239149
where:
bonds (distance) C4'-P energy: -70.524
bonds (distance) P-C4' energy: -84.961
flat angles C4'-P-C4' energy: -84.622
flat angles P-C4'-P energy: -56.309
tors. eta vs tors. theta energy: -42.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1881.523204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.523204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.523204 (E_RNA)
where:
Base-Base interactions energy: -1328.557
where: short stacking energy: -544.610
Base-Backbone interact. energy: -4.864
local terms energy: -548.102118
where:
bonds (distance) C4'-P energy: -103.578
bonds (distance) P-C4' energy: -101.099
flat angles C4'-P-C4' energy: -113.607
flat angles P-C4'-P energy: -79.110
tors. eta vs tors. theta energy: -150.709
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: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1805.602981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.602981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.602981 (E_RNA)
where:
Base-Base interactions energy: -1261.230
where: short stacking energy: -530.314
Base-Backbone interact. energy: -0.953
local terms energy: -543.420193
where:
bonds (distance) C4'-P energy: -103.253
bonds (distance) P-C4' energy: -97.199
flat angles C4'-P-C4' energy: -116.355
flat angles P-C4'-P energy: -73.641
tors. eta vs tors. theta energy: -152.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1786.895568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.895568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.895568 (E_RNA)
where:
Base-Base interactions energy: -1273.896
where: short stacking energy: -514.613
Base-Backbone interact. energy: -1.971
local terms energy: -511.028888
where:
bonds (distance) C4'-P energy: -85.742
bonds (distance) P-C4' energy: -90.858
flat angles C4'-P-C4' energy: -106.785
flat angles P-C4'-P energy: -72.360
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: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1700.508212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.508212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.508212 (E_RNA)
where:
Base-Base interactions energy: -1183.245
where: short stacking energy: -500.998
Base-Backbone interact. energy: -3.493
local terms energy: -513.770855
where:
bonds (distance) C4'-P energy: -96.784
bonds (distance) P-C4' energy: -96.332
flat angles C4'-P-C4' energy: -104.210
flat angles P-C4'-P energy: -64.133
tors. eta vs tors. theta energy: -152.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1633.687954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.687954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.687954 (E_RNA)
where:
Base-Base interactions energy: -1138.863
where: short stacking energy: -449.554
Base-Backbone interact. energy: -2.089
local terms energy: -492.735750
where:
bonds (distance) C4'-P energy: -92.564
bonds (distance) P-C4' energy: -96.025
flat angles C4'-P-C4' energy: -105.127
flat angles P-C4'-P energy: -62.562
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: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1504.666273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.666273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.666273 (E_RNA)
where:
Base-Base interactions energy: -1078.491
where: short stacking energy: -432.213
Base-Backbone interact. energy: 1.773
local terms energy: -427.948206
where:
bonds (distance) C4'-P energy: -71.274
bonds (distance) P-C4' energy: -87.361
flat angles C4'-P-C4' energy: -93.615
flat angles P-C4'-P energy: -51.392
tors. eta vs tors. theta energy: -124.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1462.647176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.647176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.647176 (E_RNA)
where:
Base-Base interactions energy: -1013.514
where: short stacking energy: -411.467
Base-Backbone interact. energy: -2.576
local terms energy: -446.557114
where:
bonds (distance) C4'-P energy: -88.207
bonds (distance) P-C4' energy: -89.205
flat angles C4'-P-C4' energy: -96.464
flat angles P-C4'-P energy: -57.315
tors. eta vs tors. theta energy: -115.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1344.455915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.455915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.455915 (E_RNA)
where:
Base-Base interactions energy: -890.057
where: short stacking energy: -366.237
Base-Backbone interact. energy: 0.990
local terms energy: -455.389521
where:
bonds (distance) C4'-P energy: -95.247
bonds (distance) P-C4' energy: -92.170
flat angles C4'-P-C4' energy: -84.437
flat angles P-C4'-P energy: -71.861
tors. eta vs tors. theta energy: -111.675
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: 331
Temperature: 1.300000
Total energy: -945.222169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.222169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.222169 (E_RNA)
where:
Base-Base interactions energy: -621.790
where: short stacking energy: -288.411
Base-Backbone interact. energy: 0.918
local terms energy: -324.349770
where:
bonds (distance) C4'-P energy: -61.972
bonds (distance) P-C4' energy: -92.246
flat angles C4'-P-C4' energy: -77.008
flat angles P-C4'-P energy: -47.053
tors. eta vs tors. theta energy: -46.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -907.103990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.103990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.103990 (E_RNA)
where:
Base-Base interactions energy: -578.458
where: short stacking energy: -264.096
Base-Backbone interact. energy: -0.043
local terms energy: -328.602834
where:
bonds (distance) C4'-P energy: -84.215
bonds (distance) P-C4' energy: -78.047
flat angles C4'-P-C4' energy: -69.064
flat angles P-C4'-P energy: -56.225
tors. eta vs tors. theta energy: -41.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1893.773692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.773692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.773692 (E_RNA)
where:
Base-Base interactions energy: -1337.498
where: short stacking energy: -552.307
Base-Backbone interact. energy: -2.213
local terms energy: -554.062180
where:
bonds (distance) C4'-P energy: -106.830
bonds (distance) P-C4' energy: -100.918
flat angles C4'-P-C4' energy: -109.899
flat angles P-C4'-P energy: -82.126
tors. eta vs tors. theta energy: -154.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1833.419855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.419855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.419855 (E_RNA)
where:
Base-Base interactions energy: -1297.975
where: short stacking energy: -547.056
Base-Backbone interact. energy: -2.707
local terms energy: -532.737883
where:
bonds (distance) C4'-P energy: -82.768
bonds (distance) P-C4' energy: -99.599
flat angles C4'-P-C4' energy: -113.442
flat angles P-C4'-P energy: -72.466
tors. eta vs tors. theta energy: -164.463
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: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1790.508024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.508024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.508024 (E_RNA)
where:
Base-Base interactions energy: -1255.931
where: short stacking energy: -544.128
Base-Backbone interact. energy: -0.673
local terms energy: -533.904303
where:
bonds (distance) C4'-P energy: -90.371
bonds (distance) P-C4' energy: -92.463
flat angles C4'-P-C4' energy: -112.061
flat angles P-C4'-P energy: -73.363
tors. eta vs tors. theta energy: -165.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1704.986107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.986107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.986107 (E_RNA)
where:
Base-Base interactions energy: -1172.955
where: short stacking energy: -500.394
Base-Backbone interact. energy: -1.550
local terms energy: -530.481367
where:
bonds (distance) C4'-P energy: -94.243
bonds (distance) P-C4' energy: -102.918
flat angles C4'-P-C4' energy: -107.083
flat angles P-C4'-P energy: -81.907
tors. eta vs tors. theta energy: -144.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1629.639165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.639165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.639165 (E_RNA)
where:
Base-Base interactions energy: -1152.402
where: short stacking energy: -459.133
Base-Backbone interact. energy: -2.045
local terms energy: -475.192566
where:
bonds (distance) C4'-P energy: -74.406
bonds (distance) P-C4' energy: -88.156
flat angles C4'-P-C4' energy: -102.183
flat angles P-C4'-P energy: -72.393
tors. eta vs tors. theta energy: -138.054
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: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1531.280497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.280497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.280497 (E_RNA)
where:
Base-Base interactions energy: -1059.568
where: short stacking energy: -455.790
Base-Backbone interact. energy: -2.672
local terms energy: -469.039851
where:
bonds (distance) C4'-P energy: -93.241
bonds (distance) P-C4' energy: -86.732
flat angles C4'-P-C4' energy: -92.742
flat angles P-C4'-P energy: -65.886
tors. eta vs tors. theta energy: -130.438
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: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1477.468212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.468212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.468212 (E_RNA)
where:
Base-Base interactions energy: -1020.020
where: short stacking energy: -423.306
Base-Backbone interact. energy: -3.452
local terms energy: -453.996192
where:
bonds (distance) C4'-P energy: -84.752
bonds (distance) P-C4' energy: -84.906
flat angles C4'-P-C4' energy: -87.091
flat angles P-C4'-P energy: -73.093
tors. eta vs tors. theta energy: -124.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1341.231234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.231234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.231234 (E_RNA)
where:
Base-Base interactions energy: -930.461
where: short stacking energy: -393.677
Base-Backbone interact. energy: 0.853
local terms energy: -411.622841
where:
bonds (distance) C4'-P energy: -81.698
bonds (distance) P-C4' energy: -75.649
flat angles C4'-P-C4' energy: -90.707
flat angles P-C4'-P energy: -61.169
tors. eta vs tors. theta energy: -102.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -990.453847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.453847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.453847 (E_RNA)
where:
Base-Base interactions energy: -632.902
where: short stacking energy: -284.163
Base-Backbone interact. energy: -0.391
local terms energy: -357.160784
where:
bonds (distance) C4'-P energy: -77.806
bonds (distance) P-C4' energy: -81.367
flat angles C4'-P-C4' energy: -75.255
flat angles P-C4'-P energy: -62.529
tors. eta vs tors. theta energy: -60.204
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: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -917.504480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.504480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.504480 (E_RNA)
where:
Base-Base interactions energy: -599.679
where: short stacking energy: -278.137
Base-Backbone interact. energy: -0.278
local terms energy: -317.546811
where:
bonds (distance) C4'-P energy: -75.061
bonds (distance) P-C4' energy: -66.800
flat angles C4'-P-C4' energy: -68.174
flat angles P-C4'-P energy: -47.594
tors. eta vs tors. theta energy: -59.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1869.778509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.778509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.778509 (E_RNA)
where:
Base-Base interactions energy: -1315.999
where: short stacking energy: -539.911
Base-Backbone interact. energy: -0.122
local terms energy: -553.656902
where:
bonds (distance) C4'-P energy: -104.322
bonds (distance) P-C4' energy: -90.074
flat angles C4'-P-C4' energy: -115.562
flat angles P-C4'-P energy: -83.936
tors. eta vs tors. theta energy: -159.764
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: 333
Temperature: 0.950000
Total energy: -1819.475242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.475242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.475242 (E_RNA)
where:
Base-Base interactions energy: -1286.768
where: short stacking energy: -529.122
Base-Backbone interact. energy: -0.181
local terms energy: -532.526925
where:
bonds (distance) C4'-P energy: -87.340
bonds (distance) P-C4' energy: -106.661
flat angles C4'-P-C4' energy: -105.159
flat angles P-C4'-P energy: -74.366
tors. eta vs tors. theta energy: -159.001
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: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1780.543090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.543090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.543090 (E_RNA)
where:
Base-Base interactions energy: -1240.401
where: short stacking energy: -532.189
Base-Backbone interact. energy: -1.446
local terms energy: -538.695894
where:
bonds (distance) C4'-P energy: -89.195
bonds (distance) P-C4' energy: -94.676
flat angles C4'-P-C4' energy: -114.969
flat angles P-C4'-P energy: -83.438
tors. eta vs tors. theta energy: -156.418
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: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1691.294647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.294647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.294647 (E_RNA)
where:
Base-Base interactions energy: -1186.414
where: short stacking energy: -501.834
Base-Backbone interact. energy: 0.156
local terms energy: -505.036906
where:
bonds (distance) C4'-P energy: -82.652
bonds (distance) P-C4' energy: -95.713
flat angles C4'-P-C4' energy: -107.135
flat angles P-C4'-P energy: -76.801
tors. eta vs tors. theta energy: -142.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1600.586082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.586082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.586082 (E_RNA)
where:
Base-Base interactions energy: -1138.987
where: short stacking energy: -476.260
Base-Backbone interact. energy: -2.493
local terms energy: -459.105942
where:
bonds (distance) C4'-P energy: -74.491
bonds (distance) P-C4' energy: -83.257
flat angles C4'-P-C4' energy: -111.351
flat angles P-C4'-P energy: -65.013
tors. eta vs tors. theta energy: -124.993
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: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1458.275166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.275166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.275166 (E_RNA)
where:
Base-Base interactions energy: -1034.948
where: short stacking energy: -422.186
Base-Backbone interact. energy: -0.892
local terms energy: -422.434669
where:
bonds (distance) C4'-P energy: -79.009
bonds (distance) P-C4' energy: -84.759
flat angles C4'-P-C4' energy: -92.284
flat angles P-C4'-P energy: -59.136
tors. eta vs tors. theta energy: -107.247
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: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1476.231679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.231679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.231679 (E_RNA)
where:
Base-Base interactions energy: -1029.210
where: short stacking energy: -428.790
Base-Backbone interact. energy: -1.542
local terms energy: -445.479814
where:
bonds (distance) C4'-P energy: -82.814
bonds (distance) P-C4' energy: -81.306
flat angles C4'-P-C4' energy: -100.176
flat angles P-C4'-P energy: -63.207
tors. eta vs tors. theta energy: -117.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1363.339185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.339185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.339185 (E_RNA)
where:
Base-Base interactions energy: -940.839
where: short stacking energy: -404.071
Base-Backbone interact. energy: 3.030
local terms energy: -425.530188
where:
bonds (distance) C4'-P energy: -72.855
bonds (distance) P-C4' energy: -81.455
flat angles C4'-P-C4' energy: -85.272
flat angles P-C4'-P energy: -73.864
tors. eta vs tors. theta energy: -112.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -941.569422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.569422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.569422 (E_RNA)
where:
Base-Base interactions energy: -612.729
where: short stacking energy: -274.674
Base-Backbone interact. energy: -0.966
local terms energy: -327.873760
where:
bonds (distance) C4'-P energy: -67.621
bonds (distance) P-C4' energy: -74.885
flat angles C4'-P-C4' energy: -90.720
flat angles P-C4'-P energy: -38.121
tors. eta vs tors. theta energy: -56.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -926.082525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.082525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.082525 (E_RNA)
where:
Base-Base interactions energy: -618.134
where: short stacking energy: -286.492
Base-Backbone interact. energy: 4.973
local terms energy: -312.921484
where:
bonds (distance) C4'-P energy: -72.560
bonds (distance) P-C4' energy: -71.981
flat angles C4'-P-C4' energy: -84.906
flat angles P-C4'-P energy: -32.719
tors. eta vs tors. theta energy: -50.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1875.075831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.075831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.075831 (E_RNA)
where:
Base-Base interactions energy: -1328.838
where: short stacking energy: -526.384
Base-Backbone interact. energy: 1.145
local terms energy: -547.382894
where:
bonds (distance) C4'-P energy: -93.667
bonds (distance) P-C4' energy: -103.217
flat angles C4'-P-C4' energy: -117.901
flat angles P-C4'-P energy: -80.250
tors. eta vs tors. theta energy: -152.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1812.968331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.968331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.968331 (E_RNA)
where:
Base-Base interactions energy: -1292.564
where: short stacking energy: -540.878
Base-Backbone interact. energy: -1.616
local terms energy: -518.788037
where:
bonds (distance) C4'-P energy: -85.211
bonds (distance) P-C4' energy: -94.903
flat angles C4'-P-C4' energy: -110.101
flat angles P-C4'-P energy: -67.065
tors. eta vs tors. theta energy: -161.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1769.350507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.350507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.350507 (E_RNA)
where:
Base-Base interactions energy: -1228.186
where: short stacking energy: -545.418
Base-Backbone interact. energy: -1.108
local terms energy: -540.056009
where:
bonds (distance) C4'-P energy: -91.891
bonds (distance) P-C4' energy: -94.172
flat angles C4'-P-C4' energy: -110.386
flat angles P-C4'-P energy: -80.064
tors. eta vs tors. theta energy: -163.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1704.814734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.814734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.814734 (E_RNA)
where:
Base-Base interactions energy: -1188.226
where: short stacking energy: -503.101
Base-Backbone interact. energy: -0.914
local terms energy: -515.674459
where:
bonds (distance) C4'-P energy: -88.166
bonds (distance) P-C4' energy: -97.232
flat angles C4'-P-C4' energy: -102.125
flat angles P-C4'-P energy: -81.479
tors. eta vs tors. theta energy: -146.673
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: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1603.090945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.090945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.090945 (E_RNA)
where:
Base-Base interactions energy: -1134.169
where: short stacking energy: -472.643
Base-Backbone interact. energy: -0.918
local terms energy: -468.003546
where:
bonds (distance) C4'-P energy: -94.784
bonds (distance) P-C4' energy: -74.749
flat angles C4'-P-C4' energy: -102.671
flat angles P-C4'-P energy: -64.427
tors. eta vs tors. theta energy: -131.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1511.700236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.700236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.700236 (E_RNA)
where:
Base-Base interactions energy: -1040.706
where: short stacking energy: -440.625
Base-Backbone interact. energy: -0.682
local terms energy: -470.312645
where:
bonds (distance) C4'-P energy: -99.608
bonds (distance) P-C4' energy: -82.409
flat angles C4'-P-C4' energy: -103.618
flat angles P-C4'-P energy: -63.737
tors. eta vs tors. theta energy: -120.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1437.462708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.462708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.462708 (E_RNA)
where:
Base-Base interactions energy: -1000.207
where: short stacking energy: -388.422
Base-Backbone interact. energy: 2.247
local terms energy: -439.503157
where:
bonds (distance) C4'-P energy: -73.271
bonds (distance) P-C4' energy: -79.327
flat angles C4'-P-C4' energy: -107.171
flat angles P-C4'-P energy: -65.745
tors. eta vs tors. theta energy: -113.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1360.349596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.349596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.349596 (E_RNA)
where:
Base-Base interactions energy: -930.445
where: short stacking energy: -395.171
Base-Backbone interact. energy: -1.517
local terms energy: -428.387588
where:
bonds (distance) C4'-P energy: -82.333
bonds (distance) P-C4' energy: -76.824
flat angles C4'-P-C4' energy: -97.224
flat angles P-C4'-P energy: -62.255
tors. eta vs tors. theta energy: -109.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -972.743023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.743023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.743023 (E_RNA)
where:
Base-Base interactions energy: -654.381
where: short stacking energy: -285.807
Base-Backbone interact. energy: -0.337
local terms energy: -318.024869
where:
bonds (distance) C4'-P energy: -69.789
bonds (distance) P-C4' energy: -83.077
flat angles C4'-P-C4' energy: -71.228
flat angles P-C4'-P energy: -42.214
tors. eta vs tors. theta energy: -51.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -884.693713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.693713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.693713 (E_RNA)
where:
Base-Base interactions energy: -558.145
where: short stacking energy: -250.655
Base-Backbone interact. energy: -0.332
local terms energy: -326.216103
where:
bonds (distance) C4'-P energy: -62.369
bonds (distance) P-C4' energy: -94.748
flat angles C4'-P-C4' energy: -76.664
flat angles P-C4'-P energy: -37.111
tors. eta vs tors. theta energy: -55.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1877.072313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.072313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.072313 (E_RNA)
where:
Base-Base interactions energy: -1339.655
where: short stacking energy: -540.860
Base-Backbone interact. energy: -0.516
local terms energy: -536.902111
where:
bonds (distance) C4'-P energy: -95.117
bonds (distance) P-C4' energy: -99.711
flat angles C4'-P-C4' energy: -113.579
flat angles P-C4'-P energy: -75.039
tors. eta vs tors. theta energy: -153.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1821.397595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.397595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.397595 (E_RNA)
where:
Base-Base interactions energy: -1285.679
where: short stacking energy: -559.633
Base-Backbone interact. energy: -0.774
local terms energy: -534.944485
where:
bonds (distance) C4'-P energy: -90.652
bonds (distance) P-C4' energy: -89.834
flat angles C4'-P-C4' energy: -112.600
flat angles P-C4'-P energy: -77.034
tors. eta vs tors. theta energy: -164.825
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: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1786.590102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.590102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.590102 (E_RNA)
where:
Base-Base interactions energy: -1247.992
where: short stacking energy: -523.674
Base-Backbone interact. energy: -1.124
local terms energy: -537.474110
where:
bonds (distance) C4'-P energy: -90.884
bonds (distance) P-C4' energy: -97.227
flat angles C4'-P-C4' energy: -117.573
flat angles P-C4'-P energy: -70.968
tors. eta vs tors. theta energy: -160.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1717.398209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.398209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.398209 (E_RNA)
where:
Base-Base interactions energy: -1205.428
where: short stacking energy: -516.010
Base-Backbone interact. energy: -2.358
local terms energy: -509.612303
where:
bonds (distance) C4'-P energy: -90.618
bonds (distance) P-C4' energy: -94.007
flat angles C4'-P-C4' energy: -104.587
flat angles P-C4'-P energy: -73.681
tors. eta vs tors. theta energy: -146.719
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: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1603.719091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.719091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.719091 (E_RNA)
where:
Base-Base interactions energy: -1134.914
where: short stacking energy: -475.413
Base-Backbone interact. energy: -0.787
local terms energy: -468.017777
where:
bonds (distance) C4'-P energy: -85.364
bonds (distance) P-C4' energy: -86.369
flat angles C4'-P-C4' energy: -107.661
flat angles P-C4'-P energy: -55.400
tors. eta vs tors. theta energy: -133.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1525.558379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.558379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.558379 (E_RNA)
where:
Base-Base interactions energy: -1087.969
where: short stacking energy: -453.721
Base-Backbone interact. energy: -2.610
local terms energy: -434.978800
where:
bonds (distance) C4'-P energy: -74.053
bonds (distance) P-C4' energy: -72.179
flat angles C4'-P-C4' energy: -94.913
flat angles P-C4'-P energy: -69.198
tors. eta vs tors. theta energy: -124.635
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: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1421.957186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.957186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.957186 (E_RNA)
where:
Base-Base interactions energy: -957.942
where: short stacking energy: -399.291
Base-Backbone interact. energy: 0.049
local terms energy: -464.063877
where:
bonds (distance) C4'-P energy: -92.449
bonds (distance) P-C4' energy: -88.356
flat angles C4'-P-C4' energy: -92.518
flat angles P-C4'-P energy: -72.549
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: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1317.955834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.955834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.955834 (E_RNA)
where:
Base-Base interactions energy: -934.781
where: short stacking energy: -396.542
Base-Backbone interact. energy: 2.307
local terms energy: -385.481140
where:
bonds (distance) C4'-P energy: -67.059
bonds (distance) P-C4' energy: -63.874
flat angles C4'-P-C4' energy: -92.253
flat angles P-C4'-P energy: -64.011
tors. eta vs tors. theta energy: -98.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -986.349855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.349855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.349855 (E_RNA)
where:
Base-Base interactions energy: -619.109
where: short stacking energy: -296.916
Base-Backbone interact. energy: 0.277
local terms energy: -367.517889
where:
bonds (distance) C4'-P energy: -69.490
bonds (distance) P-C4' energy: -86.204
flat angles C4'-P-C4' energy: -89.139
flat angles P-C4'-P energy: -49.459
tors. eta vs tors. theta energy: -73.225
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: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -788.636007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.636007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.636007 (E_RNA)
where:
Base-Base interactions energy: -504.828
where: short stacking energy: -227.326
Base-Backbone interact. energy: 0.183
local terms energy: -283.991360
where:
bonds (distance) C4'-P energy: -49.706
bonds (distance) P-C4' energy: -74.353
flat angles C4'-P-C4' energy: -85.783
flat angles P-C4'-P energy: -50.378
tors. eta vs tors. theta energy: -23.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1845.077421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.077421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.077421 (E_RNA)
where:
Base-Base interactions energy: -1294.176
where: short stacking energy: -538.886
Base-Backbone interact. energy: -1.532
local terms energy: -549.369511
where:
bonds (distance) C4'-P energy: -97.738
bonds (distance) P-C4' energy: -106.036
flat angles C4'-P-C4' energy: -115.434
flat angles P-C4'-P energy: -73.651
tors. eta vs tors. theta energy: -156.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1812.818460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.818460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.818460 (E_RNA)
where:
Base-Base interactions energy: -1257.884
where: short stacking energy: -540.545
Base-Backbone interact. energy: -1.417
local terms energy: -553.518078
where:
bonds (distance) C4'-P energy: -97.397
bonds (distance) P-C4' energy: -104.994
flat angles C4'-P-C4' energy: -111.096
flat angles P-C4'-P energy: -76.790
tors. eta vs tors. theta energy: -163.241
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: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1721.153555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.153555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.153555 (E_RNA)
where:
Base-Base interactions energy: -1202.555
where: short stacking energy: -503.685
Base-Backbone interact. energy: -1.186
local terms energy: -517.412725
where:
bonds (distance) C4'-P energy: -86.624
bonds (distance) P-C4' energy: -100.205
flat angles C4'-P-C4' energy: -105.461
flat angles P-C4'-P energy: -75.884
tors. eta vs tors. theta energy: -149.239
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: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1711.843359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.843359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.843359 (E_RNA)
where:
Base-Base interactions energy: -1218.307
where: short stacking energy: -511.757
Base-Backbone interact. energy: -0.811
local terms energy: -492.724869
where:
bonds (distance) C4'-P energy: -85.378
bonds (distance) P-C4' energy: -83.517
flat angles C4'-P-C4' energy: -104.136
flat angles P-C4'-P energy: -67.840
tors. eta vs tors. theta energy: -151.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1636.190603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.190603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.190603 (E_RNA)
where:
Base-Base interactions energy: -1145.003
where: short stacking energy: -472.615
Base-Backbone interact. energy: -3.899
local terms energy: -487.288968
where:
bonds (distance) C4'-P energy: -83.184
bonds (distance) P-C4' energy: -82.612
flat angles C4'-P-C4' energy: -102.573
flat angles P-C4'-P energy: -77.479
tors. eta vs tors. theta energy: -141.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1478.030135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.030135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.030135 (E_RNA)
where:
Base-Base interactions energy: -1039.534
where: short stacking energy: -402.954
Base-Backbone interact. energy: 0.109
local terms energy: -438.605874
where:
bonds (distance) C4'-P energy: -72.033
bonds (distance) P-C4' energy: -90.512
flat angles C4'-P-C4' energy: -102.147
flat angles P-C4'-P energy: -61.150
tors. eta vs tors. theta energy: -112.764
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: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1431.603917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.603917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.603917 (E_RNA)
where:
Base-Base interactions energy: -1002.650
where: short stacking energy: -398.187
Base-Backbone interact. energy: -1.809
local terms energy: -427.144217
where:
bonds (distance) C4'-P energy: -70.030
bonds (distance) P-C4' energy: -93.948
flat angles C4'-P-C4' energy: -99.673
flat angles P-C4'-P energy: -57.494
tors. eta vs tors. theta energy: -106.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1283.333609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.333609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.333609 (E_RNA)
where:
Base-Base interactions energy: -895.382
where: short stacking energy: -387.144
Base-Backbone interact. energy: 0.463
local terms energy: -388.414572
where:
bonds (distance) C4'-P energy: -73.574
bonds (distance) P-C4' energy: -67.882
flat angles C4'-P-C4' energy: -89.316
flat angles P-C4'-P energy: -65.614
tors. eta vs tors. theta energy: -92.029
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: 9, replica: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -940.230672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.230672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.230672 (E_RNA)
where:
Base-Base interactions energy: -579.328
where: short stacking energy: -272.091
Base-Backbone interact. energy: -2.913
local terms energy: -357.989618
where:
bonds (distance) C4'-P energy: -102.087
bonds (distance) P-C4' energy: -82.287
flat angles C4'-P-C4' energy: -66.812
flat angles P-C4'-P energy: -55.848
tors. eta vs tors. theta energy: -50.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -767.475929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.475929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.475929 (E_RNA)
where:
Base-Base interactions energy: -474.408
where: short stacking energy: -201.537
Base-Backbone interact. energy: -1.918
local terms energy: -291.149655
where:
bonds (distance) C4'-P energy: -64.930
bonds (distance) P-C4' energy: -85.153
flat angles C4'-P-C4' energy: -64.621
flat angles P-C4'-P energy: -41.235
tors. eta vs tors. theta energy: -35.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1833.880185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.880185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.880185 (E_RNA)
where:
Base-Base interactions energy: -1296.112
where: short stacking energy: -546.486
Base-Backbone interact. energy: -0.432
local terms energy: -537.336697
where:
bonds (distance) C4'-P energy: -94.505
bonds (distance) P-C4' energy: -97.435
flat angles C4'-P-C4' energy: -109.511
flat angles P-C4'-P energy: -78.016
tors. eta vs tors. theta energy: -157.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1804.453593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.453593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.453593 (E_RNA)
where:
Base-Base interactions energy: -1274.733
where: short stacking energy: -531.594
Base-Backbone interact. energy: -1.536
local terms energy: -528.184428
where:
bonds (distance) C4'-P energy: -91.953
bonds (distance) P-C4' energy: -102.864
flat angles C4'-P-C4' energy: -105.016
flat angles P-C4'-P energy: -74.531
tors. eta vs tors. theta energy: -153.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1748.807379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.807379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.807379 (E_RNA)
where:
Base-Base interactions energy: -1226.318
where: short stacking energy: -538.176
Base-Backbone interact. energy: -0.861
local terms energy: -521.627991
where:
bonds (distance) C4'-P energy: -81.768
bonds (distance) P-C4' energy: -94.532
flat angles C4'-P-C4' energy: -110.786
flat angles P-C4'-P energy: -80.684
tors. eta vs tors. theta energy: -153.858
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: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1671.667158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.667158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.667158 (E_RNA)
where:
Base-Base interactions energy: -1209.334
where: short stacking energy: -488.062
Base-Backbone interact. energy: 0.525
local terms energy: -462.858049
where:
bonds (distance) C4'-P energy: -87.936
bonds (distance) P-C4' energy: -77.120
flat angles C4'-P-C4' energy: -98.280
flat angles P-C4'-P energy: -65.091
tors. eta vs tors. theta energy: -134.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1689.176347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.176347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.176347 (E_RNA)
where:
Base-Base interactions energy: -1196.654
where: short stacking energy: -500.309
Base-Backbone interact. energy: -0.796
local terms energy: -491.727074
where:
bonds (distance) C4'-P energy: -80.786
bonds (distance) P-C4' energy: -82.728
flat angles C4'-P-C4' energy: -111.031
flat angles P-C4'-P energy: -68.323
tors. eta vs tors. theta energy: -148.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1477.078304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.078304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.078304 (E_RNA)
where:
Base-Base interactions energy: -1030.216
where: short stacking energy: -425.576
Base-Backbone interact. energy: 3.206
local terms energy: -450.067917
where:
bonds (distance) C4'-P energy: -83.911
bonds (distance) P-C4' energy: -99.660
flat angles C4'-P-C4' energy: -89.691
flat angles P-C4'-P energy: -61.529
tors. eta vs tors. theta energy: -115.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1455.254985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.254985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.254985 (E_RNA)
where:
Base-Base interactions energy: -1010.001
where: short stacking energy: -411.178
Base-Backbone interact. energy: -1.080
local terms energy: -444.173353
where:
bonds (distance) C4'-P energy: -93.056
bonds (distance) P-C4' energy: -84.369
flat angles C4'-P-C4' energy: -97.596
flat angles P-C4'-P energy: -50.679
tors. eta vs tors. theta energy: -118.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1377.479093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.479093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.479093 (E_RNA)
where:
Base-Base interactions energy: -963.000
where: short stacking energy: -413.414
Base-Backbone interact. energy: -1.622
local terms energy: -412.856723
where:
bonds (distance) C4'-P energy: -75.454
bonds (distance) P-C4' energy: -78.671
flat angles C4'-P-C4' energy: -93.588
flat angles P-C4'-P energy: -52.544
tors. eta vs tors. theta energy: -112.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -989.177210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.177210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.177210 (E_RNA)
where:
Base-Base interactions energy: -638.976
where: short stacking energy: -294.114
Base-Backbone interact. energy: -0.872
local terms energy: -349.329188
where:
bonds (distance) C4'-P energy: -69.035
bonds (distance) P-C4' energy: -81.604
flat angles C4'-P-C4' energy: -79.984
flat angles P-C4'-P energy: -59.981
tors. eta vs tors. theta energy: -58.726
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: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -863.672013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.672013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.672013 (E_RNA)
where:
Base-Base interactions energy: -573.469
where: short stacking energy: -268.820
Base-Backbone interact. energy: -1.622
local terms energy: -288.581081
where:
bonds (distance) C4'-P energy: -61.077
bonds (distance) P-C4' energy: -62.172
flat angles C4'-P-C4' energy: -73.020
flat angles P-C4'-P energy: -54.321
tors. eta vs tors. theta energy: -37.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1862.120301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.120301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.120301 (E_RNA)
where:
Base-Base interactions energy: -1312.793
where: short stacking energy: -560.616
Base-Backbone interact. energy: -1.844
local terms energy: -547.483702
where:
bonds (distance) C4'-P energy: -89.448
bonds (distance) P-C4' energy: -101.064
flat angles C4'-P-C4' energy: -114.284
flat angles P-C4'-P energy: -84.988
tors. eta vs tors. theta energy: -157.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1756.843117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.843117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.843117 (E_RNA)
where:
Base-Base interactions energy: -1232.537
where: short stacking energy: -527.956
Base-Backbone interact. energy: -1.262
local terms energy: -523.044565
where:
bonds (distance) C4'-P energy: -83.194
bonds (distance) P-C4' energy: -94.337
flat angles C4'-P-C4' energy: -112.704
flat angles P-C4'-P energy: -85.956
tors. eta vs tors. theta energy: -146.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1692.433972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.433972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.433972 (E_RNA)
where:
Base-Base interactions energy: -1208.269
where: short stacking energy: -504.094
Base-Backbone interact. energy: -3.125
local terms energy: -481.040019
where:
bonds (distance) C4'-P energy: -78.966
bonds (distance) P-C4' energy: -84.693
flat angles C4'-P-C4' energy: -98.656
flat angles P-C4'-P energy: -77.404
tors. eta vs tors. theta energy: -141.321
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: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1703.248706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.248706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.248706 (E_RNA)
where:
Base-Base interactions energy: -1196.832
where: short stacking energy: -521.708
Base-Backbone interact. energy: 0.807
local terms energy: -507.223975
where:
bonds (distance) C4'-P energy: -76.215
bonds (distance) P-C4' energy: -102.669
flat angles C4'-P-C4' energy: -112.322
flat angles P-C4'-P energy: -65.421
tors. eta vs tors. theta energy: -150.596
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: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1665.800485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.800485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.800485 (E_RNA)
where:
Base-Base interactions energy: -1160.490
where: short stacking energy: -489.253
Base-Backbone interact. energy: -1.594
local terms energy: -503.716159
where:
bonds (distance) C4'-P energy: -83.072
bonds (distance) P-C4' energy: -95.883
flat angles C4'-P-C4' energy: -106.772
flat angles P-C4'-P energy: -74.381
tors. eta vs tors. theta energy: -143.608
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: 338
Temperature: 1.150000
Total energy: -1513.611208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.611208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.611208 (E_RNA)
where:
Base-Base interactions energy: -1070.097
where: short stacking energy: -457.545
Base-Backbone interact. energy: 4.088
local terms energy: -447.601805
where:
bonds (distance) C4'-P energy: -74.390
bonds (distance) P-C4' energy: -69.825
flat angles C4'-P-C4' energy: -98.836
flat angles P-C4'-P energy: -69.701
tors. eta vs tors. theta energy: -134.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1495.322325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.322325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.322325 (E_RNA)
where:
Base-Base interactions energy: -1041.577
where: short stacking energy: -438.051
Base-Backbone interact. energy: -2.518
local terms energy: -451.227705
where:
bonds (distance) C4'-P energy: -83.559
bonds (distance) P-C4' energy: -82.496
flat angles C4'-P-C4' energy: -97.733
flat angles P-C4'-P energy: -61.517
tors. eta vs tors. theta energy: -125.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1385.792958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.792958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.792958 (E_RNA)
where:
Base-Base interactions energy: -949.062
where: short stacking energy: -410.481
Base-Backbone interact. energy: 0.715
local terms energy: -437.445332
where:
bonds (distance) C4'-P energy: -80.088
bonds (distance) P-C4' energy: -99.821
flat angles C4'-P-C4' energy: -84.880
flat angles P-C4'-P energy: -61.320
tors. eta vs tors. theta energy: -111.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -931.039355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.039355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.039355 (E_RNA)
where:
Base-Base interactions energy: -591.820
where: short stacking energy: -286.536
Base-Backbone interact. energy: -4.537
local terms energy: -334.682278
where:
bonds (distance) C4'-P energy: -77.647
bonds (distance) P-C4' energy: -82.242
flat angles C4'-P-C4' energy: -79.895
flat angles P-C4'-P energy: -44.026
tors. eta vs tors. theta energy: -50.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -805.891738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.891738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.891738 (E_RNA)
where:
Base-Base interactions energy: -493.609
where: short stacking energy: -226.323
Base-Backbone interact. energy: 2.467
local terms energy: -314.749319
where:
bonds (distance) C4'-P energy: -75.084
bonds (distance) P-C4' energy: -73.968
flat angles C4'-P-C4' energy: -79.276
flat angles P-C4'-P energy: -54.308
tors. eta vs tors. theta energy: -32.113
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: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1823.947630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.947630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.947630 (E_RNA)
where:
Base-Base interactions energy: -1285.368
where: short stacking energy: -531.856
Base-Backbone interact. energy: -1.397
local terms energy: -537.182543
where:
bonds (distance) C4'-P energy: -86.226
bonds (distance) P-C4' energy: -101.605
flat angles C4'-P-C4' energy: -115.188
flat angles P-C4'-P energy: -81.101
tors. eta vs tors. theta energy: -153.062
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: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1786.265852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.265852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.265852 (E_RNA)
where:
Base-Base interactions energy: -1278.338
where: short stacking energy: -547.541
Base-Backbone interact. energy: -2.351
local terms energy: -505.577491
where:
bonds (distance) C4'-P energy: -82.682
bonds (distance) P-C4' energy: -91.909
flat angles C4'-P-C4' energy: -116.916
flat angles P-C4'-P energy: -55.937
tors. eta vs tors. theta energy: -158.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1686.458307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.458307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.458307 (E_RNA)
where:
Base-Base interactions energy: -1189.890
where: short stacking energy: -487.833
Base-Backbone interact. energy: 3.051
local terms energy: -499.619292
where:
bonds (distance) C4'-P energy: -94.831
bonds (distance) P-C4' energy: -88.418
flat angles C4'-P-C4' energy: -108.623
flat angles P-C4'-P energy: -71.233
tors. eta vs tors. theta energy: -136.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1707.840475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.840475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.840475 (E_RNA)
where:
Base-Base interactions energy: -1199.352
where: short stacking energy: -481.389
Base-Backbone interact. energy: -0.580
local terms energy: -507.908182
where:
bonds (distance) C4'-P energy: -95.854
bonds (distance) P-C4' energy: -97.509
flat angles C4'-P-C4' energy: -104.499
flat angles P-C4'-P energy: -66.051
tors. eta vs tors. theta energy: -143.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1656.097084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.097084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.097084 (E_RNA)
where:
Base-Base interactions energy: -1172.650
where: short stacking energy: -493.560
Base-Backbone interact. energy: -1.134
local terms energy: -482.312929
where:
bonds (distance) C4'-P energy: -76.737
bonds (distance) P-C4' energy: -83.508
flat angles C4'-P-C4' energy: -108.144
flat angles P-C4'-P energy: -67.118
tors. eta vs tors. theta energy: -146.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1499.762027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.762027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.762027 (E_RNA)
where:
Base-Base interactions energy: -1070.015
where: short stacking energy: -454.676
Base-Backbone interact. energy: -2.001
local terms energy: -427.745281
where:
bonds (distance) C4'-P energy: -85.054
bonds (distance) P-C4' energy: -84.259
flat angles C4'-P-C4' energy: -76.943
flat angles P-C4'-P energy: -57.149
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: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1485.544701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.544701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.544701 (E_RNA)
where:
Base-Base interactions energy: -1038.908
where: short stacking energy: -430.711
Base-Backbone interact. energy: -0.904
local terms energy: -445.732526
where:
bonds (distance) C4'-P energy: -93.228
bonds (distance) P-C4' energy: -77.797
flat angles C4'-P-C4' energy: -92.225
flat angles P-C4'-P energy: -65.041
tors. eta vs tors. theta energy: -117.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1298.686072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.686072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.686072 (E_RNA)
where:
Base-Base interactions energy: -901.511
where: short stacking energy: -388.926
Base-Backbone interact. energy: -2.588
local terms energy: -394.587749
where:
bonds (distance) C4'-P energy: -71.063
bonds (distance) P-C4' energy: -79.717
flat angles C4'-P-C4' energy: -87.867
flat angles P-C4'-P energy: -54.990
tors. eta vs tors. theta energy: -100.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -926.900087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.900087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.900087 (E_RNA)
where:
Base-Base interactions energy: -584.723
where: short stacking energy: -246.231
Base-Backbone interact. energy: 1.569
local terms energy: -343.745737
where:
bonds (distance) C4'-P energy: -78.589
bonds (distance) P-C4' energy: -83.901
flat angles C4'-P-C4' energy: -78.255
flat angles P-C4'-P energy: -52.785
tors. eta vs tors. theta energy: -50.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -809.755076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.755076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.755076 (E_RNA)
where:
Base-Base interactions energy: -509.889
where: short stacking energy: -246.415
Base-Backbone interact. energy: 3.631
local terms energy: -303.497231
where:
bonds (distance) C4'-P energy: -62.394
bonds (distance) P-C4' energy: -79.166
flat angles C4'-P-C4' energy: -82.342
flat angles P-C4'-P energy: -41.390
tors. eta vs tors. theta energy: -38.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1848.129810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.129810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.129810 (E_RNA)
where:
Base-Base interactions energy: -1299.880
where: short stacking energy: -553.910
Base-Backbone interact. energy: -0.566
local terms energy: -547.683293
where:
bonds (distance) C4'-P energy: -99.807
bonds (distance) P-C4' energy: -94.729
flat angles C4'-P-C4' energy: -106.852
flat angles P-C4'-P energy: -84.851
tors. eta vs tors. theta energy: -161.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1787.628866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.628866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.628866 (E_RNA)
where:
Base-Base interactions energy: -1253.886
where: short stacking energy: -532.347
Base-Backbone interact. energy: 3.630
local terms energy: -537.373091
where:
bonds (distance) C4'-P energy: -94.517
bonds (distance) P-C4' energy: -94.253
flat angles C4'-P-C4' energy: -115.723
flat angles P-C4'-P energy: -73.543
tors. eta vs tors. theta energy: -159.337
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: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1746.890987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.890987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.890987 (E_RNA)
where:
Base-Base interactions energy: -1256.012
where: short stacking energy: -510.392
Base-Backbone interact. energy: -2.411
local terms energy: -488.467434
where:
bonds (distance) C4'-P energy: -79.403
bonds (distance) P-C4' energy: -88.038
flat angles C4'-P-C4' energy: -105.544
flat angles P-C4'-P energy: -68.472
tors. eta vs tors. theta energy: -147.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1674.135630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.135630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.135630 (E_RNA)
where:
Base-Base interactions energy: -1171.994
where: short stacking energy: -474.527
Base-Backbone interact. energy: -0.941
local terms energy: -501.200124
where:
bonds (distance) C4'-P energy: -90.075
bonds (distance) P-C4' energy: -92.186
flat angles C4'-P-C4' energy: -100.746
flat angles P-C4'-P energy: -78.537
tors. eta vs tors. theta energy: -139.656
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: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1619.524998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.524998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.524998 (E_RNA)
where:
Base-Base interactions energy: -1129.798
where: short stacking energy: -474.960
Base-Backbone interact. energy: -1.115
local terms energy: -488.612637
where:
bonds (distance) C4'-P energy: -84.934
bonds (distance) P-C4' energy: -96.984
flat angles C4'-P-C4' energy: -104.537
flat angles P-C4'-P energy: -66.512
tors. eta vs tors. theta energy: -135.645
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: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1504.403291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.403291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.403291 (E_RNA)
where:
Base-Base interactions energy: -1060.884
where: short stacking energy: -454.469
Base-Backbone interact. energy: -3.625
local terms energy: -439.894082
where:
bonds (distance) C4'-P energy: -80.740
bonds (distance) P-C4' energy: -92.200
flat angles C4'-P-C4' energy: -99.657
flat angles P-C4'-P energy: -49.986
tors. eta vs tors. theta energy: -117.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1477.813952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.813952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.813952 (E_RNA)
where:
Base-Base interactions energy: -1017.901
where: short stacking energy: -432.898
Base-Backbone interact. energy: -0.828
local terms energy: -459.084652
where:
bonds (distance) C4'-P energy: -83.674
bonds (distance) P-C4' energy: -82.749
flat angles C4'-P-C4' energy: -95.530
flat angles P-C4'-P energy: -71.576
tors. eta vs tors. theta energy: -125.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1278.260864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.260864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.260864 (E_RNA)
where:
Base-Base interactions energy: -863.070
where: short stacking energy: -359.006
Base-Backbone interact. energy: -0.283
local terms energy: -414.908498
where:
bonds (distance) C4'-P energy: -82.577
bonds (distance) P-C4' energy: -80.632
flat angles C4'-P-C4' energy: -96.799
flat angles P-C4'-P energy: -55.774
tors. eta vs tors. theta energy: -99.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -944.518065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.518065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.518065 (E_RNA)
where:
Base-Base interactions energy: -601.435
where: short stacking energy: -264.517
Base-Backbone interact. energy: 2.494
local terms energy: -345.577637
where:
bonds (distance) C4'-P energy: -73.563
bonds (distance) P-C4' energy: -76.861
flat angles C4'-P-C4' energy: -86.155
flat angles P-C4'-P energy: -64.908
tors. eta vs tors. theta energy: -44.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -795.156258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.156258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.156258 (E_RNA)
where:
Base-Base interactions energy: -476.885
where: short stacking energy: -222.919
Base-Backbone interact. energy: -1.723
local terms energy: -316.548625
where:
bonds (distance) C4'-P energy: -80.382
bonds (distance) P-C4' energy: -79.719
flat angles C4'-P-C4' energy: -75.416
flat angles P-C4'-P energy: -49.744
tors. eta vs tors. theta energy: -31.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1820.467784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.467784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.467784 (E_RNA)
where:
Base-Base interactions energy: -1264.916
where: short stacking energy: -525.229
Base-Backbone interact. energy: -1.235
local terms energy: -554.316883
where:
bonds (distance) C4'-P energy: -100.095
bonds (distance) P-C4' energy: -103.348
flat angles C4'-P-C4' energy: -105.843
flat angles P-C4'-P energy: -82.656
tors. eta vs tors. theta energy: -162.375
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: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1820.139595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.139595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.139595 (E_RNA)
where:
Base-Base interactions energy: -1297.141
where: short stacking energy: -540.889
Base-Backbone interact. energy: -1.253
local terms energy: -521.745588
where:
bonds (distance) C4'-P energy: -93.480
bonds (distance) P-C4' energy: -93.783
flat angles C4'-P-C4' energy: -107.871
flat angles P-C4'-P energy: -71.093
tors. eta vs tors. theta energy: -155.518
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: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1761.210135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.210135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.210135 (E_RNA)
where:
Base-Base interactions energy: -1243.729
where: short stacking energy: -526.583
Base-Backbone interact. energy: -1.431
local terms energy: -516.049399
where:
bonds (distance) C4'-P energy: -88.921
bonds (distance) P-C4' energy: -86.231
flat angles C4'-P-C4' energy: -105.843
flat angles P-C4'-P energy: -75.148
tors. eta vs tors. theta energy: -159.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1693.466322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.466322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.466322 (E_RNA)
where:
Base-Base interactions energy: -1187.474
where: short stacking energy: -492.055
Base-Backbone interact. energy: -1.766
local terms energy: -504.226556
where:
bonds (distance) C4'-P energy: -87.555
bonds (distance) P-C4' energy: -91.237
flat angles C4'-P-C4' energy: -112.253
flat angles P-C4'-P energy: -73.146
tors. eta vs tors. theta energy: -140.036
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: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1631.470836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.470836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.470836 (E_RNA)
where:
Base-Base interactions energy: -1140.993
where: short stacking energy: -490.711
Base-Backbone interact. energy: 0.147
local terms energy: -490.624723
where:
bonds (distance) C4'-P energy: -85.979
bonds (distance) P-C4' energy: -86.139
flat angles C4'-P-C4' energy: -110.881
flat angles P-C4'-P energy: -69.180
tors. eta vs tors. theta energy: -138.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1497.567245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.567245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.567245 (E_RNA)
where:
Base-Base interactions energy: -1036.708
where: short stacking energy: -436.173
Base-Backbone interact. energy: 6.777
local terms energy: -467.636542
where:
bonds (distance) C4'-P energy: -94.041
bonds (distance) P-C4' energy: -92.574
flat angles C4'-P-C4' energy: -103.211
flat angles P-C4'-P energy: -62.083
tors. eta vs tors. theta energy: -115.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1467.650399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.650399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.650399 (E_RNA)
where:
Base-Base interactions energy: -1016.137
where: short stacking energy: -406.371
Base-Backbone interact. energy: -1.211
local terms energy: -450.302240
where:
bonds (distance) C4'-P energy: -85.153
bonds (distance) P-C4' energy: -88.490
flat angles C4'-P-C4' energy: -90.620
flat angles P-C4'-P energy: -71.393
tors. eta vs tors. theta energy: -114.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1250.992113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.992113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.992113 (E_RNA)
where:
Base-Base interactions energy: -848.786
where: short stacking energy: -348.517
Base-Backbone interact. energy: -1.753
local terms energy: -400.453286
where:
bonds (distance) C4'-P energy: -79.219
bonds (distance) P-C4' energy: -94.872
flat angles C4'-P-C4' energy: -79.646
flat angles P-C4'-P energy: -52.901
tors. eta vs tors. theta energy: -93.815
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: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -932.643401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.643401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.643401 (E_RNA)
where:
Base-Base interactions energy: -567.156
where: short stacking energy: -253.512
Base-Backbone interact. energy: -0.041
local terms energy: -365.445640
where:
bonds (distance) C4'-P energy: -76.338
bonds (distance) P-C4' energy: -91.410
flat angles C4'-P-C4' energy: -84.894
flat angles P-C4'-P energy: -54.977
tors. eta vs tors. theta energy: -57.827
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: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -839.811082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.811082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.811082 (E_RNA)
where:
Base-Base interactions energy: -537.458
where: short stacking energy: -230.228
Base-Backbone interact. energy: -2.189
local terms energy: -300.164477
where:
bonds (distance) C4'-P energy: -72.280
bonds (distance) P-C4' energy: -81.888
flat angles C4'-P-C4' energy: -73.777
flat angles P-C4'-P energy: -47.863
tors. eta vs tors. theta energy: -24.356
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: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1838.510191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.510191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.510191 (E_RNA)
where:
Base-Base interactions energy: -1290.193
where: short stacking energy: -546.096
Base-Backbone interact. energy: -1.449
local terms energy: -546.868361
where:
bonds (distance) C4'-P energy: -97.255
bonds (distance) P-C4' energy: -100.386
flat angles C4'-P-C4' energy: -114.138
flat angles P-C4'-P energy: -84.523
tors. eta vs tors. theta energy: -150.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1800.721890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.721890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.721890 (E_RNA)
where:
Base-Base interactions energy: -1279.965
where: short stacking energy: -544.795
Base-Backbone interact. energy: -0.935
local terms energy: -519.821319
where:
bonds (distance) C4'-P energy: -92.770
bonds (distance) P-C4' energy: -95.465
flat angles C4'-P-C4' energy: -107.817
flat angles P-C4'-P energy: -66.975
tors. eta vs tors. theta energy: -156.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1770.820325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.820325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.820325 (E_RNA)
where:
Base-Base interactions energy: -1247.923
where: short stacking energy: -520.415
Base-Backbone interact. energy: -3.137
local terms energy: -519.760156
where:
bonds (distance) C4'-P energy: -86.312
bonds (distance) P-C4' energy: -95.386
flat angles C4'-P-C4' energy: -109.053
flat angles P-C4'-P energy: -73.260
tors. eta vs tors. theta energy: -155.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1655.400942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.400942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.400942 (E_RNA)
where:
Base-Base interactions energy: -1166.508
where: short stacking energy: -472.296
Base-Backbone interact. energy: -0.056
local terms energy: -488.836904
where:
bonds (distance) C4'-P energy: -92.560
bonds (distance) P-C4' energy: -95.297
flat angles C4'-P-C4' energy: -99.970
flat angles P-C4'-P energy: -73.102
tors. eta vs tors. theta energy: -127.909
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: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1602.908693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.908693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.908693 (E_RNA)
where:
Base-Base interactions energy: -1142.538
where: short stacking energy: -478.780
Base-Backbone interact. energy: 1.745
local terms energy: -462.115812
where:
bonds (distance) C4'-P energy: -84.066
bonds (distance) P-C4' energy: -87.257
flat angles C4'-P-C4' energy: -105.383
flat angles P-C4'-P energy: -56.509
tors. eta vs tors. theta energy: -128.901
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: 342
Temperature: 1.150000
Total energy: -1528.962251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.962251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.962251 (E_RNA)
where:
Base-Base interactions energy: -1060.738
where: short stacking energy: -445.072
Base-Backbone interact. energy: 1.399
local terms energy: -469.623644
where:
bonds (distance) C4'-P energy: -95.752
bonds (distance) P-C4' energy: -76.809
flat angles C4'-P-C4' energy: -95.559
flat angles P-C4'-P energy: -65.976
tors. eta vs tors. theta energy: -135.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1450.861757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.861757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.861757 (E_RNA)
where:
Base-Base interactions energy: -1024.960
where: short stacking energy: -417.748
Base-Backbone interact. energy: -1.573
local terms energy: -424.329203
where:
bonds (distance) C4'-P energy: -72.395
bonds (distance) P-C4' energy: -70.040
flat angles C4'-P-C4' energy: -96.062
flat angles P-C4'-P energy: -66.267
tors. eta vs tors. theta energy: -119.566
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: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1310.499481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.499481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.499481 (E_RNA)
where:
Base-Base interactions energy: -901.655
where: short stacking energy: -372.616
Base-Backbone interact. energy: -0.512
local terms energy: -408.332343
where:
bonds (distance) C4'-P energy: -68.811
bonds (distance) P-C4' energy: -89.178
flat angles C4'-P-C4' energy: -96.050
flat angles P-C4'-P energy: -59.079
tors. eta vs tors. theta energy: -95.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -938.683087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.683087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.683087 (E_RNA)
where:
Base-Base interactions energy: -600.629
where: short stacking energy: -275.579
Base-Backbone interact. energy: 7.380
local terms energy: -345.433626
where:
bonds (distance) C4'-P energy: -69.251
bonds (distance) P-C4' energy: -79.006
flat angles C4'-P-C4' energy: -83.666
flat angles P-C4'-P energy: -56.854
tors. eta vs tors. theta energy: -56.656
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: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -783.184480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.184480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.184480 (E_RNA)
where:
Base-Base interactions energy: -498.041
where: short stacking energy: -222.004
Base-Backbone interact. energy: -0.113
local terms energy: -285.030343
where:
bonds (distance) C4'-P energy: -78.471
bonds (distance) P-C4' energy: -64.043
flat angles C4'-P-C4' energy: -61.655
flat angles P-C4'-P energy: -53.946
tors. eta vs tors. theta energy: -26.915
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: 1, replica: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1846.760942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.760942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.760942 (E_RNA)
where:
Base-Base interactions energy: -1288.465
where: short stacking energy: -548.425
Base-Backbone interact. energy: -2.436
local terms energy: -555.860323
where:
bonds (distance) C4'-P energy: -96.976
bonds (distance) P-C4' energy: -94.698
flat angles C4'-P-C4' energy: -119.052
flat angles P-C4'-P energy: -82.947
tors. eta vs tors. theta energy: -162.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1812.630196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.630196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.630196 (E_RNA)
where:
Base-Base interactions energy: -1266.941
where: short stacking energy: -538.464
Base-Backbone interact. energy: -1.439
local terms energy: -544.249912
where:
bonds (distance) C4'-P energy: -99.402
bonds (distance) P-C4' energy: -102.130
flat angles C4'-P-C4' energy: -110.881
flat angles P-C4'-P energy: -71.268
tors. eta vs tors. theta energy: -160.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1774.865764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.865764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.865764 (E_RNA)
where:
Base-Base interactions energy: -1235.862
where: short stacking energy: -526.039
Base-Backbone interact. energy: -0.367
local terms energy: -538.636384
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -91.748
flat angles C4'-P-C4' energy: -112.014
flat angles P-C4'-P energy: -77.097
tors. eta vs tors. theta energy: -157.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1668.594258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.594258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.594258 (E_RNA)
where:
Base-Base interactions energy: -1173.660
where: short stacking energy: -495.222
Base-Backbone interact. energy: 1.041
local terms energy: -495.975285
where:
bonds (distance) C4'-P energy: -77.280
bonds (distance) P-C4' energy: -94.115
flat angles C4'-P-C4' energy: -108.583
flat angles P-C4'-P energy: -71.840
tors. eta vs tors. theta energy: -144.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1594.950121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.950121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.950121 (E_RNA)
where:
Base-Base interactions energy: -1115.547
where: short stacking energy: -464.927
Base-Backbone interact. energy: -0.031
local terms energy: -479.372049
where:
bonds (distance) C4'-P energy: -83.445
bonds (distance) P-C4' energy: -85.124
flat angles C4'-P-C4' energy: -101.307
flat angles P-C4'-P energy: -75.479
tors. eta vs tors. theta energy: -134.016
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: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1534.479297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.479297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.479297 (E_RNA)
where:
Base-Base interactions energy: -1056.460
where: short stacking energy: -450.342
Base-Backbone interact. energy: -1.276
local terms energy: -476.744162
where:
bonds (distance) C4'-P energy: -84.462
bonds (distance) P-C4' energy: -94.299
flat angles C4'-P-C4' energy: -101.611
flat angles P-C4'-P energy: -68.476
tors. eta vs tors. theta energy: -127.896
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: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1442.912087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.912087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.912087 (E_RNA)
where:
Base-Base interactions energy: -981.995
where: short stacking energy: -406.492
Base-Backbone interact. energy: -1.792
local terms energy: -459.125208
where:
bonds (distance) C4'-P energy: -84.183
bonds (distance) P-C4' energy: -94.108
flat angles C4'-P-C4' energy: -102.370
flat angles P-C4'-P energy: -65.582
tors. eta vs tors. theta energy: -112.882
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: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1345.341097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.341097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.341097 (E_RNA)
where:
Base-Base interactions energy: -908.947
where: short stacking energy: -378.590
Base-Backbone interact. energy: -0.397
local terms energy: -435.996907
where:
bonds (distance) C4'-P energy: -74.568
bonds (distance) P-C4' energy: -92.343
flat angles C4'-P-C4' energy: -92.975
flat angles P-C4'-P energy: -61.067
tors. eta vs tors. theta energy: -115.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -945.524080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.524080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.524080 (E_RNA)
where:
Base-Base interactions energy: -581.414
where: short stacking energy: -270.613
Base-Backbone interact. energy: 1.981
local terms energy: -366.090949
where:
bonds (distance) C4'-P energy: -86.561
bonds (distance) P-C4' energy: -84.547
flat angles C4'-P-C4' energy: -82.786
flat angles P-C4'-P energy: -53.088
tors. eta vs tors. theta energy: -59.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -807.536626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.536626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.536626 (E_RNA)
where:
Base-Base interactions energy: -521.907
where: short stacking energy: -236.178
Base-Backbone interact. energy: -2.371
local terms energy: -283.258035
where:
bonds (distance) C4'-P energy: -65.548
bonds (distance) P-C4' energy: -83.937
flat angles C4'-P-C4' energy: -68.265
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: -23.350
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: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1850.937022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.937022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.937022 (E_RNA)
where:
Base-Base interactions energy: -1289.410
where: short stacking energy: -540.556
Base-Backbone interact. energy: -1.936
local terms energy: -559.591588
where:
bonds (distance) C4'-P energy: -98.186
bonds (distance) P-C4' energy: -101.467
flat angles C4'-P-C4' energy: -120.218
flat angles P-C4'-P energy: -85.853
tors. eta vs tors. theta energy: -153.866
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: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1810.542272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.542272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.542272 (E_RNA)
where:
Base-Base interactions energy: -1267.546
where: short stacking energy: -519.425
Base-Backbone interact. energy: -0.949
local terms energy: -542.047349
where:
bonds (distance) C4'-P energy: -92.778
bonds (distance) P-C4' energy: -93.011
flat angles C4'-P-C4' energy: -116.228
flat angles P-C4'-P energy: -76.194
tors. eta vs tors. theta energy: -163.837
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: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1798.014112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.014112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.014112 (E_RNA)
where:
Base-Base interactions energy: -1275.914
where: short stacking energy: -543.213
Base-Backbone interact. energy: -3.677
local terms energy: -518.423947
where:
bonds (distance) C4'-P energy: -87.869
bonds (distance) P-C4' energy: -87.370
flat angles C4'-P-C4' energy: -108.705
flat angles P-C4'-P energy: -78.729
tors. eta vs tors. theta energy: -155.752
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: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1689.998135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.998135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.998135 (E_RNA)
where:
Base-Base interactions energy: -1186.711
where: short stacking energy: -489.506
Base-Backbone interact. energy: -0.941
local terms energy: -502.346221
where:
bonds (distance) C4'-P energy: -94.347
bonds (distance) P-C4' energy: -85.423
flat angles C4'-P-C4' energy: -110.985
flat angles P-C4'-P energy: -65.548
tors. eta vs tors. theta energy: -146.043
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: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1648.282769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.282769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.282769 (E_RNA)
where:
Base-Base interactions energy: -1144.090
where: short stacking energy: -468.276
Base-Backbone interact. energy: -2.417
local terms energy: -501.775610
where:
bonds (distance) C4'-P energy: -80.433
bonds (distance) P-C4' energy: -102.419
flat angles C4'-P-C4' energy: -104.660
flat angles P-C4'-P energy: -69.809
tors. eta vs tors. theta energy: -144.454
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: 344
Temperature: 1.150000
Total energy: -1525.369845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.369845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.369845 (E_RNA)
where:
Base-Base interactions energy: -1064.245
where: short stacking energy: -418.973
Base-Backbone interact. energy: -2.663
local terms energy: -458.461445
where:
bonds (distance) C4'-P energy: -76.204
bonds (distance) P-C4' energy: -99.501
flat angles C4'-P-C4' energy: -102.555
flat angles P-C4'-P energy: -63.967
tors. eta vs tors. theta energy: -116.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1417.258707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.258707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.258707 (E_RNA)
where:
Base-Base interactions energy: -965.571
where: short stacking energy: -402.009
Base-Backbone interact. energy: -1.878
local terms energy: -449.809626
where:
bonds (distance) C4'-P energy: -83.906
bonds (distance) P-C4' energy: -92.470
flat angles C4'-P-C4' energy: -93.161
flat angles P-C4'-P energy: -70.127
tors. eta vs tors. theta energy: -110.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1395.594324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.594324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.594324 (E_RNA)
where:
Base-Base interactions energy: -969.750
where: short stacking energy: -395.951
Base-Backbone interact. energy: -0.150
local terms energy: -425.694456
where:
bonds (distance) C4'-P energy: -89.862
bonds (distance) P-C4' energy: -65.168
flat angles C4'-P-C4' energy: -95.803
flat angles P-C4'-P energy: -71.722
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: 9, replica: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -942.264429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.264429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.264429 (E_RNA)
where:
Base-Base interactions energy: -600.137
where: short stacking energy: -265.978
Base-Backbone interact. energy: 2.481
local terms energy: -344.608785
where:
bonds (distance) C4'-P energy: -83.384
bonds (distance) P-C4' energy: -85.923
flat angles C4'-P-C4' energy: -83.425
flat angles P-C4'-P energy: -48.060
tors. eta vs tors. theta energy: -43.817
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: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -792.816378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.816378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.816378 (E_RNA)
where:
Base-Base interactions energy: -470.073
where: short stacking energy: -220.130
Base-Backbone interact. energy: -1.506
local terms energy: -321.237145
where:
bonds (distance) C4'-P energy: -80.452
bonds (distance) P-C4' energy: -85.910
flat angles C4'-P-C4' energy: -86.511
flat angles P-C4'-P energy: -49.488
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1858.987820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.987820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.987820 (E_RNA)
where:
Base-Base interactions energy: -1301.660
where: short stacking energy: -553.928
Base-Backbone interact. energy: -4.090
local terms energy: -553.237399
where:
bonds (distance) C4'-P energy: -94.689
bonds (distance) P-C4' energy: -101.211
flat angles C4'-P-C4' energy: -119.599
flat angles P-C4'-P energy: -80.814
tors. eta vs tors. theta energy: -156.924
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: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1813.894120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.894120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.894120 (E_RNA)
where:
Base-Base interactions energy: -1265.208
where: short stacking energy: -536.611
Base-Backbone interact. energy: -2.681
local terms energy: -546.004753
where:
bonds (distance) C4'-P energy: -100.747
bonds (distance) P-C4' energy: -99.096
flat angles C4'-P-C4' energy: -103.874
flat angles P-C4'-P energy: -80.985
tors. eta vs tors. theta energy: -161.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1775.190830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.190830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.190830 (E_RNA)
where:
Base-Base interactions energy: -1251.921
where: short stacking energy: -491.309
Base-Backbone interact. energy: -0.326
local terms energy: -522.943568
where:
bonds (distance) C4'-P energy: -93.997
bonds (distance) P-C4' energy: -92.413
flat angles C4'-P-C4' energy: -109.262
flat angles P-C4'-P energy: -66.264
tors. eta vs tors. theta energy: -161.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1708.115207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.115207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.115207 (E_RNA)
where:
Base-Base interactions energy: -1202.169
where: short stacking energy: -498.752
Base-Backbone interact. energy: -1.122
local terms energy: -504.823989
where:
bonds (distance) C4'-P energy: -88.279
bonds (distance) P-C4' energy: -99.896
flat angles C4'-P-C4' energy: -102.421
flat angles P-C4'-P energy: -75.403
tors. eta vs tors. theta energy: -138.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1601.058063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.058063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.058063 (E_RNA)
where:
Base-Base interactions energy: -1120.090
where: short stacking energy: -470.395
Base-Backbone interact. energy: -0.716
local terms energy: -480.251750
where:
bonds (distance) C4'-P energy: -81.956
bonds (distance) P-C4' energy: -94.147
flat angles C4'-P-C4' energy: -95.563
flat angles P-C4'-P energy: -76.774
tors. eta vs tors. theta energy: -131.813
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: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1523.041932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.041932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.041932 (E_RNA)
where:
Base-Base interactions energy: -1055.748
where: short stacking energy: -456.587
Base-Backbone interact. energy: -1.613
local terms energy: -465.681467
where:
bonds (distance) C4'-P energy: -86.200
bonds (distance) P-C4' energy: -87.243
flat angles C4'-P-C4' energy: -107.321
flat angles P-C4'-P energy: -65.425
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: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1462.490878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.490878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.490878 (E_RNA)
where:
Base-Base interactions energy: -1006.792
where: short stacking energy: -412.404
Base-Backbone interact. energy: 0.330
local terms energy: -456.029175
where:
bonds (distance) C4'-P energy: -94.389
bonds (distance) P-C4' energy: -82.441
flat angles C4'-P-C4' energy: -91.792
flat angles P-C4'-P energy: -62.597
tors. eta vs tors. theta energy: -124.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1420.280289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.280289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.280289 (E_RNA)
where:
Base-Base interactions energy: -980.233
where: short stacking energy: -405.339
Base-Backbone interact. energy: 0.792
local terms energy: -440.839309
where:
bonds (distance) C4'-P energy: -82.655
bonds (distance) P-C4' energy: -93.489
flat angles C4'-P-C4' energy: -98.465
flat angles P-C4'-P energy: -54.429
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: 9, replica: 3
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -973.569648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.569648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.569648 (E_RNA)
where:
Base-Base interactions energy: -615.841
where: short stacking energy: -284.249
Base-Backbone interact. energy: -2.946
local terms energy: -354.783311
where:
bonds (distance) C4'-P energy: -66.253
bonds (distance) P-C4' energy: -74.470
flat angles C4'-P-C4' energy: -85.967
flat angles P-C4'-P energy: -56.631
tors. eta vs tors. theta energy: -71.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -760.751887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.751887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.751887 (E_RNA)
where:
Base-Base interactions energy: -461.303
where: short stacking energy: -222.032
Base-Backbone interact. energy: 1.286
local terms energy: -300.734978
where:
bonds (distance) C4'-P energy: -77.151
bonds (distance) P-C4' energy: -65.600
flat angles C4'-P-C4' energy: -84.537
flat angles P-C4'-P energy: -43.079
tors. eta vs tors. theta energy: -30.369
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: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1845.989653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.989653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.989653 (E_RNA)
where:
Base-Base interactions energy: -1280.668
where: short stacking energy: -537.666
Base-Backbone interact. energy: -2.113
local terms energy: -563.208914
where:
bonds (distance) C4'-P energy: -105.947
bonds (distance) P-C4' energy: -102.372
flat angles C4'-P-C4' energy: -115.994
flat angles P-C4'-P energy: -80.762
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: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1792.294434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.294434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.294434 (E_RNA)
where:
Base-Base interactions energy: -1274.956
where: short stacking energy: -518.130
Base-Backbone interact. energy: -0.463
local terms energy: -516.875718
where:
bonds (distance) C4'-P energy: -104.737
bonds (distance) P-C4' energy: -76.430
flat angles C4'-P-C4' energy: -101.234
flat angles P-C4'-P energy: -80.660
tors. eta vs tors. theta energy: -153.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1810.161095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.161095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.161095 (E_RNA)
where:
Base-Base interactions energy: -1264.698
where: short stacking energy: -548.084
Base-Backbone interact. energy: -1.418
local terms energy: -544.045217
where:
bonds (distance) C4'-P energy: -98.757
bonds (distance) P-C4' energy: -106.832
flat angles C4'-P-C4' energy: -106.374
flat angles P-C4'-P energy: -72.075
tors. eta vs tors. theta energy: -160.007
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: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1690.392572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.392572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.392572 (E_RNA)
where:
Base-Base interactions energy: -1210.463
where: short stacking energy: -493.852
Base-Backbone interact. energy: 1.179
local terms energy: -481.108948
where:
bonds (distance) C4'-P energy: -89.391
bonds (distance) P-C4' energy: -82.725
flat angles C4'-P-C4' energy: -100.681
flat angles P-C4'-P energy: -68.300
tors. eta vs tors. theta energy: -140.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1617.617080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.617080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.617080 (E_RNA)
where:
Base-Base interactions energy: -1136.584
where: short stacking energy: -482.017
Base-Backbone interact. energy: -0.278
local terms energy: -480.754940
where:
bonds (distance) C4'-P energy: -92.790
bonds (distance) P-C4' energy: -83.351
flat angles C4'-P-C4' energy: -97.125
flat angles P-C4'-P energy: -76.824
tors. eta vs tors. theta energy: -130.666
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: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1543.291507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.291507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.291507 (E_RNA)
where:
Base-Base interactions energy: -1064.781
where: short stacking energy: -457.416
Base-Backbone interact. energy: 0.350
local terms energy: -478.860829
where:
bonds (distance) C4'-P energy: -78.343
bonds (distance) P-C4' energy: -89.800
flat angles C4'-P-C4' energy: -107.353
flat angles P-C4'-P energy: -71.450
tors. eta vs tors. theta energy: -131.914
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: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1470.813540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.813540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.813540 (E_RNA)
where:
Base-Base interactions energy: -1042.696
where: short stacking energy: -413.330
Base-Backbone interact. energy: 0.557
local terms energy: -428.674336
where:
bonds (distance) C4'-P energy: -72.026
bonds (distance) P-C4' energy: -77.716
flat angles C4'-P-C4' energy: -102.553
flat angles P-C4'-P energy: -59.680
tors. eta vs tors. theta energy: -116.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1409.229698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.229698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.229698 (E_RNA)
where:
Base-Base interactions energy: -971.915
where: short stacking energy: -396.512
Base-Backbone interact. energy: -1.361
local terms energy: -435.953967
where:
bonds (distance) C4'-P energy: -87.409
bonds (distance) P-C4' energy: -83.430
flat angles C4'-P-C4' energy: -83.574
flat angles P-C4'-P energy: -52.979
tors. eta vs tors. theta energy: -128.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1014.053198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.053198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.053198 (E_RNA)
where:
Base-Base interactions energy: -657.343
where: short stacking energy: -302.617
Base-Backbone interact. energy: 2.468
local terms energy: -359.178280
where:
bonds (distance) C4'-P energy: -73.420
bonds (distance) P-C4' energy: -90.053
flat angles C4'-P-C4' energy: -86.049
flat angles P-C4'-P energy: -49.931
tors. eta vs tors. theta energy: -59.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -770.342068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.342068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.342068 (E_RNA)
where:
Base-Base interactions energy: -483.095
where: short stacking energy: -239.483
Base-Backbone interact. energy: -1.970
local terms energy: -285.277084
where:
bonds (distance) C4'-P energy: -60.755
bonds (distance) P-C4' energy: -69.631
flat angles C4'-P-C4' energy: -79.298
flat angles P-C4'-P energy: -42.676
tors. eta vs tors. theta energy: -32.917
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: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1862.351581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.351581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.351581 (E_RNA)
where:
Base-Base interactions energy: -1318.184
where: short stacking energy: -555.841
Base-Backbone interact. energy: 0.441
local terms energy: -544.609229
where:
bonds (distance) C4'-P energy: -102.712
bonds (distance) P-C4' energy: -86.314
flat angles C4'-P-C4' energy: -117.822
flat angles P-C4'-P energy: -78.696
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: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1814.552744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.552744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.552744 (E_RNA)
where:
Base-Base interactions energy: -1279.810
where: short stacking energy: -540.450
Base-Backbone interact. energy: -3.181
local terms energy: -531.562159
where:
bonds (distance) C4'-P energy: -88.124
bonds (distance) P-C4' energy: -97.809
flat angles C4'-P-C4' energy: -102.460
flat angles P-C4'-P energy: -77.281
tors. eta vs tors. theta energy: -165.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1743.060875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.060875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.060875 (E_RNA)
where:
Base-Base interactions energy: -1248.409
where: short stacking energy: -520.994
Base-Backbone interact. energy: -0.928
local terms energy: -493.723853
where:
bonds (distance) C4'-P energy: -84.960
bonds (distance) P-C4' energy: -83.703
flat angles C4'-P-C4' energy: -104.810
flat angles P-C4'-P energy: -65.548
tors. eta vs tors. theta energy: -154.702
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: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1656.722433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.722433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.722433 (E_RNA)
where:
Base-Base interactions energy: -1184.606
where: short stacking energy: -511.646
Base-Backbone interact. energy: -0.256
local terms energy: -471.860190
where:
bonds (distance) C4'-P energy: -74.498
bonds (distance) P-C4' energy: -84.641
flat angles C4'-P-C4' energy: -108.296
flat angles P-C4'-P energy: -68.443
tors. eta vs tors. theta energy: -135.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1661.996909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.996909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.996909 (E_RNA)
where:
Base-Base interactions energy: -1170.884
where: short stacking energy: -484.321
Base-Backbone interact. energy: -1.607
local terms energy: -489.506714
where:
bonds (distance) C4'-P energy: -82.110
bonds (distance) P-C4' energy: -88.142
flat angles C4'-P-C4' energy: -110.409
flat angles P-C4'-P energy: -71.754
tors. eta vs tors. theta energy: -137.092
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: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1540.765667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.765667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.765667 (E_RNA)
where:
Base-Base interactions energy: -1078.093
where: short stacking energy: -460.411
Base-Backbone interact. energy: -1.716
local terms energy: -460.957314
where:
bonds (distance) C4'-P energy: -74.545
bonds (distance) P-C4' energy: -73.424
flat angles C4'-P-C4' energy: -109.336
flat angles P-C4'-P energy: -74.920
tors. eta vs tors. theta energy: -128.733
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: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1492.154574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.154574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.154574 (E_RNA)
where:
Base-Base interactions energy: -1042.269
where: short stacking energy: -407.002
Base-Backbone interact. energy: -1.083
local terms energy: -448.802670
where:
bonds (distance) C4'-P energy: -73.927
bonds (distance) P-C4' energy: -92.066
flat angles C4'-P-C4' energy: -105.958
flat angles P-C4'-P energy: -63.318
tors. eta vs tors. theta energy: -113.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1291.793131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.793131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.793131 (E_RNA)
where:
Base-Base interactions energy: -862.756
where: short stacking energy: -376.704
Base-Backbone interact. energy: -3.124
local terms energy: -425.913390
where:
bonds (distance) C4'-P energy: -95.634
bonds (distance) P-C4' energy: -80.121
flat angles C4'-P-C4' energy: -85.308
flat angles P-C4'-P energy: -60.134
tors. eta vs tors. theta energy: -104.716
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: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -988.087115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.087115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.087115 (E_RNA)
where:
Base-Base interactions energy: -607.387
where: short stacking energy: -290.642
Base-Backbone interact. energy: -2.273
local terms energy: -378.427972
where:
bonds (distance) C4'-P energy: -84.602
bonds (distance) P-C4' energy: -96.317
flat angles C4'-P-C4' energy: -69.556
flat angles P-C4'-P energy: -53.848
tors. eta vs tors. theta energy: -74.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -820.342086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.342086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.342086 (E_RNA)
where:
Base-Base interactions energy: -505.980
where: short stacking energy: -239.475
Base-Backbone interact. energy: -0.169
local terms energy: -314.192673
where:
bonds (distance) C4'-P energy: -80.483
bonds (distance) P-C4' energy: -81.412
flat angles C4'-P-C4' energy: -78.929
flat angles P-C4'-P energy: -36.113
tors. eta vs tors. theta energy: -37.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1837.018338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.018338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.018338 (E_RNA)
where:
Base-Base interactions energy: -1291.494
where: short stacking energy: -545.863
Base-Backbone interact. energy: -3.041
local terms energy: -542.483568
where:
bonds (distance) C4'-P energy: -99.621
bonds (distance) P-C4' energy: -95.517
flat angles C4'-P-C4' energy: -112.475
flat angles P-C4'-P energy: -74.044
tors. eta vs tors. theta energy: -160.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1811.758451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.758451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.758451 (E_RNA)
where:
Base-Base interactions energy: -1287.864
where: short stacking energy: -522.638
Base-Backbone interact. energy: 1.161
local terms energy: -525.054805
where:
bonds (distance) C4'-P energy: -82.149
bonds (distance) P-C4' energy: -101.948
flat angles C4'-P-C4' energy: -118.037
flat angles P-C4'-P energy: -65.947
tors. eta vs tors. theta energy: -156.974
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: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1752.243422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.243422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.243422 (E_RNA)
where:
Base-Base interactions energy: -1237.292
where: short stacking energy: -503.235
Base-Backbone interact. energy: -0.092
local terms energy: -514.858897
where:
bonds (distance) C4'-P energy: -84.124
bonds (distance) P-C4' energy: -92.643
flat angles C4'-P-C4' energy: -111.871
flat angles P-C4'-P energy: -76.285
tors. eta vs tors. theta energy: -149.937
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: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1665.850346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.850346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.850346 (E_RNA)
where:
Base-Base interactions energy: -1170.251
where: short stacking energy: -488.047
Base-Backbone interact. energy: -2.036
local terms energy: -493.563083
where:
bonds (distance) C4'-P energy: -80.955
bonds (distance) P-C4' energy: -88.613
flat angles C4'-P-C4' energy: -107.298
flat angles P-C4'-P energy: -77.649
tors. eta vs tors. theta energy: -139.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1665.650257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.650257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.650257 (E_RNA)
where:
Base-Base interactions energy: -1175.801
where: short stacking energy: -492.362
Base-Backbone interact. energy: -1.753
local terms energy: -488.096112
where:
bonds (distance) C4'-P energy: -85.437
bonds (distance) P-C4' energy: -81.987
flat angles C4'-P-C4' energy: -104.580
flat angles P-C4'-P energy: -66.096
tors. eta vs tors. theta energy: -149.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1552.409409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.409409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.409409 (E_RNA)
where:
Base-Base interactions energy: -1087.621
where: short stacking energy: -472.617
Base-Backbone interact. energy: -0.710
local terms energy: -464.078827
where:
bonds (distance) C4'-P energy: -66.020
bonds (distance) P-C4' energy: -92.491
flat angles C4'-P-C4' energy: -97.801
flat angles P-C4'-P energy: -71.536
tors. eta vs tors. theta energy: -136.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1503.264166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.264166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.264166 (E_RNA)
where:
Base-Base interactions energy: -1059.196
where: short stacking energy: -440.705
Base-Backbone interact. energy: -1.959
local terms energy: -442.109720
where:
bonds (distance) C4'-P energy: -69.330
bonds (distance) P-C4' energy: -75.479
flat angles C4'-P-C4' energy: -101.491
flat angles P-C4'-P energy: -72.568
tors. eta vs tors. theta energy: -123.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1321.605413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.605413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.605413 (E_RNA)
where:
Base-Base interactions energy: -901.579
where: short stacking energy: -365.365
Base-Backbone interact. energy: -2.836
local terms energy: -417.190832
where:
bonds (distance) C4'-P energy: -87.496
bonds (distance) P-C4' energy: -81.993
flat angles C4'-P-C4' energy: -95.700
flat angles P-C4'-P energy: -41.658
tors. eta vs tors. theta energy: -110.344
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: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -978.790918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.790918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.790918 (E_RNA)
where:
Base-Base interactions energy: -622.007
where: short stacking energy: -278.604
Base-Backbone interact. energy: -1.472
local terms energy: -355.311749
where:
bonds (distance) C4'-P energy: -72.430
bonds (distance) P-C4' energy: -82.838
flat angles C4'-P-C4' energy: -79.488
flat angles P-C4'-P energy: -53.858
tors. eta vs tors. theta energy: -66.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -829.216360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.216360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.216360 (E_RNA)
where:
Base-Base interactions energy: -519.210
where: short stacking energy: -226.126
Base-Backbone interact. energy: -1.002
local terms energy: -309.003606
where:
bonds (distance) C4'-P energy: -70.675
bonds (distance) P-C4' energy: -96.875
flat angles C4'-P-C4' energy: -68.383
flat angles P-C4'-P energy: -47.757
tors. eta vs tors. theta energy: -25.315
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: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1846.326535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.326535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.326535 (E_RNA)
where:
Base-Base interactions energy: -1278.287
where: short stacking energy: -543.923
Base-Backbone interact. energy: -1.465
local terms energy: -566.574723
where:
bonds (distance) C4'-P energy: -107.464
bonds (distance) P-C4' energy: -99.903
flat angles C4'-P-C4' energy: -117.999
flat angles P-C4'-P energy: -78.237
tors. eta vs tors. theta energy: -162.972
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: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1820.173023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.173023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.173023 (E_RNA)
where:
Base-Base interactions energy: -1295.049
where: short stacking energy: -549.499
Base-Backbone interact. energy: 0.551
local terms energy: -525.675459
where:
bonds (distance) C4'-P energy: -81.266
bonds (distance) P-C4' energy: -96.761
flat angles C4'-P-C4' energy: -109.209
flat angles P-C4'-P energy: -83.925
tors. eta vs tors. theta energy: -154.514
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: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1755.659658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.659658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.659658 (E_RNA)
where:
Base-Base interactions energy: -1236.204
where: short stacking energy: -516.402
Base-Backbone interact. energy: 0.399
local terms energy: -519.854601
where:
bonds (distance) C4'-P energy: -94.758
bonds (distance) P-C4' energy: -94.884
flat angles C4'-P-C4' energy: -103.938
flat angles P-C4'-P energy: -72.637
tors. eta vs tors. theta energy: -153.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1724.287339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.287339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.287339 (E_RNA)
where:
Base-Base interactions energy: -1211.926
where: short stacking energy: -515.682
Base-Backbone interact. energy: 0.276
local terms energy: -512.636953
where:
bonds (distance) C4'-P energy: -92.556
bonds (distance) P-C4' energy: -95.258
flat angles C4'-P-C4' energy: -108.755
flat angles P-C4'-P energy: -68.062
tors. eta vs tors. theta energy: -148.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1626.973689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.973689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.973689 (E_RNA)
where:
Base-Base interactions energy: -1131.437
where: short stacking energy: -458.443
Base-Backbone interact. energy: 1.327
local terms energy: -496.863091
where:
bonds (distance) C4'-P energy: -97.335
bonds (distance) P-C4' energy: -87.386
flat angles C4'-P-C4' energy: -110.049
flat angles P-C4'-P energy: -77.189
tors. eta vs tors. theta energy: -124.903
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: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1517.483216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.483216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.483216 (E_RNA)
where:
Base-Base interactions energy: -1058.404
where: short stacking energy: -464.563
Base-Backbone interact. energy: -2.654
local terms energy: -456.425361
where:
bonds (distance) C4'-P energy: -61.434
bonds (distance) P-C4' energy: -83.794
flat angles C4'-P-C4' energy: -106.754
flat angles P-C4'-P energy: -73.506
tors. eta vs tors. theta energy: -130.938
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: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1494.856759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.856759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.856759 (E_RNA)
where:
Base-Base interactions energy: -1065.066
where: short stacking energy: -438.672
Base-Backbone interact. energy: -0.599
local terms energy: -429.191397
where:
bonds (distance) C4'-P energy: -72.674
bonds (distance) P-C4' energy: -83.882
flat angles C4'-P-C4' energy: -97.688
flat angles P-C4'-P energy: -61.967
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: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1323.031377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.031377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.031377 (E_RNA)
where:
Base-Base interactions energy: -891.107
where: short stacking energy: -369.698
Base-Backbone interact. energy: -1.046
local terms energy: -430.878380
where:
bonds (distance) C4'-P energy: -90.426
bonds (distance) P-C4' energy: -77.217
flat angles C4'-P-C4' energy: -97.354
flat angles P-C4'-P energy: -58.526
tors. eta vs tors. theta energy: -107.355
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: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1013.560179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.560179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.560179 (E_RNA)
where:
Base-Base interactions energy: -656.722
where: short stacking energy: -308.073
Base-Backbone interact. energy: -0.815
local terms energy: -356.023438
where:
bonds (distance) C4'-P energy: -57.157
bonds (distance) P-C4' energy: -82.428
flat angles C4'-P-C4' energy: -93.749
flat angles P-C4'-P energy: -59.125
tors. eta vs tors. theta energy: -63.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -876.191922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.191922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.191922 (E_RNA)
where:
Base-Base interactions energy: -545.890
where: short stacking energy: -252.855
Base-Backbone interact. energy: -1.821
local terms energy: -328.481281
where:
bonds (distance) C4'-P energy: -79.758
bonds (distance) P-C4' energy: -83.804
flat angles C4'-P-C4' energy: -81.836
flat angles P-C4'-P energy: -40.362
tors. eta vs tors. theta energy: -42.720
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: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1861.926511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.926511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.926511 (E_RNA)
where:
Base-Base interactions energy: -1316.655
where: short stacking energy: -561.131
Base-Backbone interact. energy: -1.199
local terms energy: -544.072408
where:
bonds (distance) C4'-P energy: -99.243
bonds (distance) P-C4' energy: -98.473
flat angles C4'-P-C4' energy: -111.666
flat angles P-C4'-P energy: -84.318
tors. eta vs tors. theta energy: -150.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1819.282750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.282750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.282750 (E_RNA)
where:
Base-Base interactions energy: -1280.291
where: short stacking energy: -540.732
Base-Backbone interact. energy: -0.508
local terms energy: -538.484133
where:
bonds (distance) C4'-P energy: -94.360
bonds (distance) P-C4' energy: -86.165
flat angles C4'-P-C4' energy: -119.678
flat angles P-C4'-P energy: -83.239
tors. eta vs tors. theta energy: -155.042
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: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1776.306277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.306277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.306277 (E_RNA)
where:
Base-Base interactions energy: -1267.211
where: short stacking energy: -527.794
Base-Backbone interact. energy: 1.151
local terms energy: -510.246580
where:
bonds (distance) C4'-P energy: -90.617
bonds (distance) P-C4' energy: -90.075
flat angles C4'-P-C4' energy: -109.579
flat angles P-C4'-P energy: -68.373
tors. eta vs tors. theta energy: -151.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1672.081904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.081904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.081904 (E_RNA)
where:
Base-Base interactions energy: -1167.698
where: short stacking energy: -480.182
Base-Backbone interact. energy: 0.096
local terms energy: -504.479794
where:
bonds (distance) C4'-P energy: -89.597
bonds (distance) P-C4' energy: -95.889
flat angles C4'-P-C4' energy: -117.590
flat angles P-C4'-P energy: -67.314
tors. eta vs tors. theta energy: -134.089
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: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1623.797648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.797648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.797648 (E_RNA)
where:
Base-Base interactions energy: -1140.585
where: short stacking energy: -474.501
Base-Backbone interact. energy: -1.125
local terms energy: -482.087808
where:
bonds (distance) C4'-P energy: -85.076
bonds (distance) P-C4' energy: -96.595
flat angles C4'-P-C4' energy: -100.485
flat angles P-C4'-P energy: -63.796
tors. eta vs tors. theta energy: -136.136
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: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1522.135007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.135007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.135007 (E_RNA)
where:
Base-Base interactions energy: -1053.749
where: short stacking energy: -448.009
Base-Backbone interact. energy: 5.104
local terms energy: -473.490128
where:
bonds (distance) C4'-P energy: -85.916
bonds (distance) P-C4' energy: -84.406
flat angles C4'-P-C4' energy: -103.210
flat angles P-C4'-P energy: -71.405
tors. eta vs tors. theta energy: -128.553
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: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1504.663241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.663241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.663241 (E_RNA)
where:
Base-Base interactions energy: -1037.900
where: short stacking energy: -404.147
Base-Backbone interact. energy: -2.098
local terms energy: -464.665637
where:
bonds (distance) C4'-P energy: -76.664
bonds (distance) P-C4' energy: -88.890
flat angles C4'-P-C4' energy: -100.757
flat angles P-C4'-P energy: -76.999
tors. eta vs tors. theta energy: -121.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1301.450915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.450915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.450915 (E_RNA)
where:
Base-Base interactions energy: -903.636
where: short stacking energy: -392.753
Base-Backbone interact. energy: -1.471
local terms energy: -396.344521
where:
bonds (distance) C4'-P energy: -65.321
bonds (distance) P-C4' energy: -86.140
flat angles C4'-P-C4' energy: -82.630
flat angles P-C4'-P energy: -54.510
tors. eta vs tors. theta energy: -107.744
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: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -996.349244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.349244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.349244 (E_RNA)
where:
Base-Base interactions energy: -613.834
where: short stacking energy: -295.637
Base-Backbone interact. energy: 0.817
local terms energy: -383.332416
where:
bonds (distance) C4'-P energy: -75.350
bonds (distance) P-C4' energy: -90.247
flat angles C4'-P-C4' energy: -75.877
flat angles P-C4'-P energy: -64.950
tors. eta vs tors. theta energy: -76.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -855.021069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.021069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.021069 (E_RNA)
where:
Base-Base interactions energy: -533.401
where: short stacking energy: -252.736
Base-Backbone interact. energy: -1.353
local terms energy: -320.266713
where:
bonds (distance) C4'-P energy: -76.321
bonds (distance) P-C4' energy: -79.424
flat angles C4'-P-C4' energy: -76.485
flat angles P-C4'-P energy: -45.495
tors. eta vs tors. theta energy: -42.542
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: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1839.587375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.587375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.587375 (E_RNA)
where:
Base-Base interactions energy: -1291.626
where: short stacking energy: -528.490
Base-Backbone interact. energy: -2.364
local terms energy: -545.597562
where:
bonds (distance) C4'-P energy: -99.149
bonds (distance) P-C4' energy: -95.383
flat angles C4'-P-C4' energy: -116.175
flat angles P-C4'-P energy: -79.119
tors. eta vs tors. theta energy: -155.771
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: 351
Temperature: 0.950000
Total energy: -1784.814541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.814541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.814541 (E_RNA)
where:
Base-Base interactions energy: -1254.341
where: short stacking energy: -516.372
Base-Backbone interact. energy: -0.464
local terms energy: -530.009047
where:
bonds (distance) C4'-P energy: -100.842
bonds (distance) P-C4' energy: -101.221
flat angles C4'-P-C4' energy: -105.819
flat angles P-C4'-P energy: -71.798
tors. eta vs tors. theta energy: -150.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1773.128103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.128103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.128103 (E_RNA)
where:
Base-Base interactions energy: -1247.248
where: short stacking energy: -522.898
Base-Backbone interact. energy: -2.422
local terms energy: -523.458103
where:
bonds (distance) C4'-P energy: -102.250
bonds (distance) P-C4' energy: -85.497
flat angles C4'-P-C4' energy: -111.498
flat angles P-C4'-P energy: -68.120
tors. eta vs tors. theta energy: -156.093
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: 351
Temperature: 1.050000
Total energy: -1680.008298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.008298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.008298 (E_RNA)
where:
Base-Base interactions energy: -1187.131
where: short stacking energy: -497.829
Base-Backbone interact. energy: -1.533
local terms energy: -491.344985
where:
bonds (distance) C4'-P energy: -75.018
bonds (distance) P-C4' energy: -95.529
flat angles C4'-P-C4' energy: -113.029
flat angles P-C4'-P energy: -70.613
tors. eta vs tors. theta energy: -137.156
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: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1612.079095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.079095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.079095 (E_RNA)
where:
Base-Base interactions energy: -1126.670
where: short stacking energy: -463.798
Base-Backbone interact. energy: -1.361
local terms energy: -484.048739
where:
bonds (distance) C4'-P energy: -84.566
bonds (distance) P-C4' energy: -83.921
flat angles C4'-P-C4' energy: -104.768
flat angles P-C4'-P energy: -72.322
tors. eta vs tors. theta energy: -138.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1484.316661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.316661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.316661 (E_RNA)
where:
Base-Base interactions energy: -1034.946
where: short stacking energy: -425.109
Base-Backbone interact. energy: 2.933
local terms energy: -452.303806
where:
bonds (distance) C4'-P energy: -76.917
bonds (distance) P-C4' energy: -100.699
flat angles C4'-P-C4' energy: -105.733
flat angles P-C4'-P energy: -56.980
tors. eta vs tors. theta energy: -111.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1466.410231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.410231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.410231 (E_RNA)
where:
Base-Base interactions energy: -1026.925
where: short stacking energy: -395.136
Base-Backbone interact. energy: 3.445
local terms energy: -442.929849
where:
bonds (distance) C4'-P energy: -82.143
bonds (distance) P-C4' energy: -92.551
flat angles C4'-P-C4' energy: -81.367
flat angles P-C4'-P energy: -73.347
tors. eta vs tors. theta energy: -113.521
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: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1307.670543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.670543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.670543 (E_RNA)
where:
Base-Base interactions energy: -879.977
where: short stacking energy: -374.765
Base-Backbone interact. energy: -1.462
local terms energy: -426.231530
where:
bonds (distance) C4'-P energy: -79.102
bonds (distance) P-C4' energy: -98.295
flat angles C4'-P-C4' energy: -88.205
flat angles P-C4'-P energy: -56.620
tors. eta vs tors. theta energy: -104.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -981.307944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.307944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.307944 (E_RNA)
where:
Base-Base interactions energy: -623.581
where: short stacking energy: -274.087
Base-Backbone interact. energy: 1.099
local terms energy: -358.826666
where:
bonds (distance) C4'-P energy: -88.072
bonds (distance) P-C4' energy: -90.694
flat angles C4'-P-C4' energy: -75.883
flat angles P-C4'-P energy: -50.357
tors. eta vs tors. theta energy: -53.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -846.627358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.627358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.627358 (E_RNA)
where:
Base-Base interactions energy: -551.722
where: short stacking energy: -252.393
Base-Backbone interact. energy: 0.618
local terms energy: -295.524024
where:
bonds (distance) C4'-P energy: -53.842
bonds (distance) P-C4' energy: -84.729
flat angles C4'-P-C4' energy: -77.545
flat angles P-C4'-P energy: -48.103
tors. eta vs tors. theta energy: -31.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1856.091964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.091964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.091964 (E_RNA)
where:
Base-Base interactions energy: -1294.824
where: short stacking energy: -534.629
Base-Backbone interact. energy: -1.473
local terms energy: -559.795520
where:
bonds (distance) C4'-P energy: -94.678
bonds (distance) P-C4' energy: -105.411
flat angles C4'-P-C4' energy: -120.314
flat angles P-C4'-P energy: -78.806
tors. eta vs tors. theta energy: -160.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1798.041516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.041516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.041516 (E_RNA)
where:
Base-Base interactions energy: -1272.837
where: short stacking energy: -516.523
Base-Backbone interact. energy: -2.120
local terms energy: -523.083698
where:
bonds (distance) C4'-P energy: -89.885
bonds (distance) P-C4' energy: -93.538
flat angles C4'-P-C4' energy: -105.292
flat angles P-C4'-P energy: -79.432
tors. eta vs tors. theta energy: -154.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1763.457395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.457395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.457395 (E_RNA)
where:
Base-Base interactions energy: -1247.646
where: short stacking energy: -525.116
Base-Backbone interact. energy: -0.227
local terms energy: -515.584792
where:
bonds (distance) C4'-P energy: -98.798
bonds (distance) P-C4' energy: -82.950
flat angles C4'-P-C4' energy: -109.095
flat angles P-C4'-P energy: -76.525
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: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1688.841770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.841770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.841770 (E_RNA)
where:
Base-Base interactions energy: -1196.478
where: short stacking energy: -469.122
Base-Backbone interact. energy: -0.392
local terms energy: -491.971486
where:
bonds (distance) C4'-P energy: -80.013
bonds (distance) P-C4' energy: -83.747
flat angles C4'-P-C4' energy: -112.342
flat angles P-C4'-P energy: -75.900
tors. eta vs tors. theta energy: -139.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1628.059816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.059816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.059816 (E_RNA)
where:
Base-Base interactions energy: -1148.058
where: short stacking energy: -481.010
Base-Backbone interact. energy: -2.025
local terms energy: -477.977262
where:
bonds (distance) C4'-P energy: -78.871
bonds (distance) P-C4' energy: -87.248
flat angles C4'-P-C4' energy: -100.226
flat angles P-C4'-P energy: -69.247
tors. eta vs tors. theta energy: -142.385
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: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1519.050043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.050043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.050043 (E_RNA)
where:
Base-Base interactions energy: -1058.088
where: short stacking energy: -423.077
Base-Backbone interact. energy: -2.516
local terms energy: -458.446074
where:
bonds (distance) C4'-P energy: -82.010
bonds (distance) P-C4' energy: -96.875
flat angles C4'-P-C4' energy: -89.281
flat angles P-C4'-P energy: -69.663
tors. eta vs tors. theta energy: -120.617
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: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1518.687502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.687502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.687502 (E_RNA)
where:
Base-Base interactions energy: -1063.690
where: short stacking energy: -433.157
Base-Backbone interact. energy: 1.531
local terms energy: -456.528795
where:
bonds (distance) C4'-P energy: -90.506
bonds (distance) P-C4' energy: -76.357
flat angles C4'-P-C4' energy: -93.839
flat angles P-C4'-P energy: -68.251
tors. eta vs tors. theta energy: -127.576
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: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1289.186289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.186289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.186289 (E_RNA)
where:
Base-Base interactions energy: -878.942
where: short stacking energy: -384.305
Base-Backbone interact. energy: -0.037
local terms energy: -410.206630
where:
bonds (distance) C4'-P energy: -69.797
bonds (distance) P-C4' energy: -85.449
flat angles C4'-P-C4' energy: -101.854
flat angles P-C4'-P energy: -55.637
tors. eta vs tors. theta energy: -97.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -996.540729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.540729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.540729 (E_RNA)
where:
Base-Base interactions energy: -645.839
where: short stacking energy: -280.879
Base-Backbone interact. energy: 0.291
local terms energy: -350.993046
where:
bonds (distance) C4'-P energy: -76.741
bonds (distance) P-C4' energy: -82.490
flat angles C4'-P-C4' energy: -88.024
flat angles P-C4'-P energy: -41.135
tors. eta vs tors. theta energy: -62.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -790.387793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.387793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.387793 (E_RNA)
where:
Base-Base interactions energy: -486.681
where: short stacking energy: -211.653
Base-Backbone interact. energy: -0.303
local terms energy: -303.404040
where:
bonds (distance) C4'-P energy: -75.054
bonds (distance) P-C4' energy: -85.890
flat angles C4'-P-C4' energy: -90.627
flat angles P-C4'-P energy: -36.712
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1842.257343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.257343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.257343 (E_RNA)
where:
Base-Base interactions energy: -1285.365
where: short stacking energy: -529.611
Base-Backbone interact. energy: -0.110
local terms energy: -556.783073
where:
bonds (distance) C4'-P energy: -96.580
bonds (distance) P-C4' energy: -104.215
flat angles C4'-P-C4' energy: -118.866
flat angles P-C4'-P energy: -77.781
tors. eta vs tors. theta energy: -159.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1785.061075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.061075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.061075 (E_RNA)
where:
Base-Base interactions energy: -1258.763
where: short stacking energy: -542.987
Base-Backbone interact. energy: 0.708
local terms energy: -527.005799
where:
bonds (distance) C4'-P energy: -89.117
bonds (distance) P-C4' energy: -88.316
flat angles C4'-P-C4' energy: -113.559
flat angles P-C4'-P energy: -82.479
tors. eta vs tors. theta energy: -153.535
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: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1771.374414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.374414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.374414 (E_RNA)
where:
Base-Base interactions energy: -1242.532
where: short stacking energy: -526.676
Base-Backbone interact. energy: -3.125
local terms energy: -525.717424
where:
bonds (distance) C4'-P energy: -95.601
bonds (distance) P-C4' energy: -91.782
flat angles C4'-P-C4' energy: -103.447
flat angles P-C4'-P energy: -71.565
tors. eta vs tors. theta energy: -163.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1729.899277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.899277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.899277 (E_RNA)
where:
Base-Base interactions energy: -1236.100
where: short stacking energy: -490.923
Base-Backbone interact. energy: -0.303
local terms energy: -493.496539
where:
bonds (distance) C4'-P energy: -79.058
bonds (distance) P-C4' energy: -79.048
flat angles C4'-P-C4' energy: -109.793
flat angles P-C4'-P energy: -72.949
tors. eta vs tors. theta energy: -152.650
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: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1614.550998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.550998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.550998 (E_RNA)
where:
Base-Base interactions energy: -1151.203
where: short stacking energy: -456.019
Base-Backbone interact. energy: -1.652
local terms energy: -461.696038
where:
bonds (distance) C4'-P energy: -82.082
bonds (distance) P-C4' energy: -89.954
flat angles C4'-P-C4' energy: -93.694
flat angles P-C4'-P energy: -71.643
tors. eta vs tors. theta energy: -124.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1577.080597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.080597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.080597 (E_RNA)
where:
Base-Base interactions energy: -1101.817
where: short stacking energy: -433.911
Base-Backbone interact. energy: 0.591
local terms energy: -475.853735
where:
bonds (distance) C4'-P energy: -82.495
bonds (distance) P-C4' energy: -92.935
flat angles C4'-P-C4' energy: -93.238
flat angles P-C4'-P energy: -71.404
tors. eta vs tors. theta energy: -135.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1474.939227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.939227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.939227 (E_RNA)
where:
Base-Base interactions energy: -1059.327
where: short stacking energy: -426.483
Base-Backbone interact. energy: -0.637
local terms energy: -414.975011
where:
bonds (distance) C4'-P energy: -71.251
bonds (distance) P-C4' energy: -71.364
flat angles C4'-P-C4' energy: -94.055
flat angles P-C4'-P energy: -63.411
tors. eta vs tors. theta energy: -114.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1237.700632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.700632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.700632 (E_RNA)
where:
Base-Base interactions energy: -856.787
where: short stacking energy: -356.927
Base-Backbone interact. energy: -0.861
local terms energy: -380.052505
where:
bonds (distance) C4'-P energy: -79.100
bonds (distance) P-C4' energy: -83.207
flat angles C4'-P-C4' energy: -82.728
flat angles P-C4'-P energy: -43.908
tors. eta vs tors. theta energy: -91.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -943.761678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.761678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.761678 (E_RNA)
where:
Base-Base interactions energy: -611.028
where: short stacking energy: -267.190
Base-Backbone interact. energy: 2.717
local terms energy: -335.451047
where:
bonds (distance) C4'-P energy: -70.341
bonds (distance) P-C4' energy: -80.434
flat angles C4'-P-C4' energy: -75.849
flat angles P-C4'-P energy: -54.420
tors. eta vs tors. theta energy: -54.406
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: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -805.537487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.537487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.537487 (E_RNA)
where:
Base-Base interactions energy: -502.343
where: short stacking energy: -249.037
Base-Backbone interact. energy: -1.974
local terms energy: -301.220046
where:
bonds (distance) C4'-P energy: -69.798
bonds (distance) P-C4' energy: -70.140
flat angles C4'-P-C4' energy: -54.815
flat angles P-C4'-P energy: -57.661
tors. eta vs tors. theta energy: -48.806
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: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1851.828633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.828633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.828633 (E_RNA)
where:
Base-Base interactions energy: -1311.715
where: short stacking energy: -544.782
Base-Backbone interact. energy: -4.463
local terms energy: -535.650511
where:
bonds (distance) C4'-P energy: -89.438
bonds (distance) P-C4' energy: -99.521
flat angles C4'-P-C4' energy: -111.703
flat angles P-C4'-P energy: -79.733
tors. eta vs tors. theta energy: -155.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1804.551251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.551251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.551251 (E_RNA)
where:
Base-Base interactions energy: -1278.244
where: short stacking energy: -550.106
Base-Backbone interact. energy: -2.393
local terms energy: -523.914306
where:
bonds (distance) C4'-P energy: -86.526
bonds (distance) P-C4' energy: -101.710
flat angles C4'-P-C4' energy: -105.388
flat angles P-C4'-P energy: -68.522
tors. eta vs tors. theta energy: -161.769
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: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1745.479402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.479402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.479402 (E_RNA)
where:
Base-Base interactions energy: -1220.660
where: short stacking energy: -515.960
Base-Backbone interact. energy: -1.758
local terms energy: -523.061048
where:
bonds (distance) C4'-P energy: -96.746
bonds (distance) P-C4' energy: -96.425
flat angles C4'-P-C4' energy: -102.938
flat angles P-C4'-P energy: -82.693
tors. eta vs tors. theta energy: -144.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1686.578125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.578125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.578125 (E_RNA)
where:
Base-Base interactions energy: -1191.665
where: short stacking energy: -496.434
Base-Backbone interact. energy: -1.094
local terms energy: -493.818464
where:
bonds (distance) C4'-P energy: -88.711
bonds (distance) P-C4' energy: -79.458
flat angles C4'-P-C4' energy: -100.643
flat angles P-C4'-P energy: -75.153
tors. eta vs tors. theta energy: -149.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1596.045691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.045691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.045691 (E_RNA)
where:
Base-Base interactions energy: -1113.706
where: short stacking energy: -453.924
Base-Backbone interact. energy: 1.777
local terms energy: -484.116198
where:
bonds (distance) C4'-P energy: -84.241
bonds (distance) P-C4' energy: -97.417
flat angles C4'-P-C4' energy: -105.230
flat angles P-C4'-P energy: -63.006
tors. eta vs tors. theta energy: -134.222
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: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1612.344512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.344512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.344512 (E_RNA)
where:
Base-Base interactions energy: -1143.499
where: short stacking energy: -463.877
Base-Backbone interact. energy: -0.847
local terms energy: -467.998109
where:
bonds (distance) C4'-P energy: -75.809
bonds (distance) P-C4' energy: -91.054
flat angles C4'-P-C4' energy: -100.098
flat angles P-C4'-P energy: -59.136
tors. eta vs tors. theta energy: -141.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1442.626856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.626856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.626856 (E_RNA)
where:
Base-Base interactions energy: -1014.807
where: short stacking energy: -418.043
Base-Backbone interact. energy: 0.240
local terms energy: -428.059523
where:
bonds (distance) C4'-P energy: -74.946
bonds (distance) P-C4' energy: -80.660
flat angles C4'-P-C4' energy: -100.620
flat angles P-C4'-P energy: -63.789
tors. eta vs tors. theta energy: -108.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1265.067255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.067255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.067255 (E_RNA)
where:
Base-Base interactions energy: -869.803
where: short stacking energy: -363.205
Base-Backbone interact. energy: -0.975
local terms energy: -394.288684
where:
bonds (distance) C4'-P energy: -69.406
bonds (distance) P-C4' energy: -83.341
flat angles C4'-P-C4' energy: -99.640
flat angles P-C4'-P energy: -59.236
tors. eta vs tors. theta energy: -82.666
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: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1008.388069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.388069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.388069 (E_RNA)
where:
Base-Base interactions energy: -667.320
where: short stacking energy: -292.553
Base-Backbone interact. energy: -2.528
local terms energy: -338.539937
where:
bonds (distance) C4'-P energy: -85.173
bonds (distance) P-C4' energy: -74.135
flat angles C4'-P-C4' energy: -79.341
flat angles P-C4'-P energy: -46.202
tors. eta vs tors. theta energy: -53.688
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: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -798.272232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.272232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.272232 (E_RNA)
where:
Base-Base interactions energy: -490.120
where: short stacking energy: -216.241
Base-Backbone interact. energy: -0.636
local terms energy: -307.515993
where:
bonds (distance) C4'-P energy: -78.855
bonds (distance) P-C4' energy: -85.452
flat angles C4'-P-C4' energy: -66.834
flat angles P-C4'-P energy: -43.308
tors. eta vs tors. theta energy: -33.068
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: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1847.103469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.103469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.103469 (E_RNA)
where:
Base-Base interactions energy: -1282.029
where: short stacking energy: -545.437
Base-Backbone interact. energy: -2.442
local terms energy: -562.632691
where:
bonds (distance) C4'-P energy: -103.170
bonds (distance) P-C4' energy: -105.008
flat angles C4'-P-C4' energy: -112.140
flat angles P-C4'-P energy: -80.439
tors. eta vs tors. theta energy: -161.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1801.193663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.193663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.193663 (E_RNA)
where:
Base-Base interactions energy: -1263.734
where: short stacking energy: -536.669
Base-Backbone interact. energy: -0.098
local terms energy: -537.361660
where:
bonds (distance) C4'-P energy: -100.836
bonds (distance) P-C4' energy: -96.714
flat angles C4'-P-C4' energy: -113.884
flat angles P-C4'-P energy: -71.225
tors. eta vs tors. theta energy: -154.702
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: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1764.938591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.938591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.938591 (E_RNA)
where:
Base-Base interactions energy: -1250.185
where: short stacking energy: -519.981
Base-Backbone interact. energy: -1.324
local terms energy: -513.430046
where:
bonds (distance) C4'-P energy: -103.700
bonds (distance) P-C4' energy: -86.313
flat angles C4'-P-C4' energy: -108.046
flat angles P-C4'-P energy: -71.284
tors. eta vs tors. theta energy: -144.087
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: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1690.171637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.171637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.171637 (E_RNA)
where:
Base-Base interactions energy: -1199.546
where: short stacking energy: -486.431
Base-Backbone interact. energy: 0.237
local terms energy: -490.862811
where:
bonds (distance) C4'-P energy: -87.279
bonds (distance) P-C4' energy: -97.332
flat angles C4'-P-C4' energy: -99.176
flat angles P-C4'-P energy: -65.593
tors. eta vs tors. theta energy: -141.482
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: 5, replica: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1599.182250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.182250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.182250 (E_RNA)
where:
Base-Base interactions energy: -1122.735
where: short stacking energy: -465.716
Base-Backbone interact. energy: 2.367
local terms energy: -478.814712
where:
bonds (distance) C4'-P energy: -98.576
bonds (distance) P-C4' energy: -93.916
flat angles C4'-P-C4' energy: -91.648
flat angles P-C4'-P energy: -61.665
tors. eta vs tors. theta energy: -133.010
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: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1582.481718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.481718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.481718 (E_RNA)
where:
Base-Base interactions energy: -1122.473
where: short stacking energy: -470.278
Base-Backbone interact. energy: -1.025
local terms energy: -458.983568
where:
bonds (distance) C4'-P energy: -82.869
bonds (distance) P-C4' energy: -69.436
flat angles C4'-P-C4' energy: -108.308
flat angles P-C4'-P energy: -69.358
tors. eta vs tors. theta energy: -129.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1483.707497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.707497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.707497 (E_RNA)
where:
Base-Base interactions energy: -1043.080
where: short stacking energy: -417.059
Base-Backbone interact. energy: -2.130
local terms energy: -438.497891
where:
bonds (distance) C4'-P energy: -80.749
bonds (distance) P-C4' energy: -77.596
flat angles C4'-P-C4' energy: -101.708
flat angles P-C4'-P energy: -61.175
tors. eta vs tors. theta energy: -117.269
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: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1204.958854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.958854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.958854 (E_RNA)
where:
Base-Base interactions energy: -824.284
where: short stacking energy: -328.868
Base-Backbone interact. energy: -1.909
local terms energy: -378.766164
where:
bonds (distance) C4'-P energy: -67.601
bonds (distance) P-C4' energy: -89.478
flat angles C4'-P-C4' energy: -80.251
flat angles P-C4'-P energy: -57.109
tors. eta vs tors. theta energy: -84.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1004.716103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.716103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.716103 (E_RNA)
where:
Base-Base interactions energy: -662.367
where: short stacking energy: -278.327
Base-Backbone interact. energy: 5.041
local terms energy: -347.390496
where:
bonds (distance) C4'-P energy: -79.480
bonds (distance) P-C4' energy: -78.956
flat angles C4'-P-C4' energy: -73.057
flat angles P-C4'-P energy: -53.675
tors. eta vs tors. theta energy: -62.222
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: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -870.264239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.264239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.264239 (E_RNA)
where:
Base-Base interactions energy: -544.558
where: short stacking energy: -255.228
Base-Backbone interact. energy: -1.844
local terms energy: -323.862272
where:
bonds (distance) C4'-P energy: -80.072
bonds (distance) P-C4' energy: -78.583
flat angles C4'-P-C4' energy: -75.007
flat angles P-C4'-P energy: -42.221
tors. eta vs tors. theta energy: -47.979
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: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1829.127322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.127322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.127322 (E_RNA)
where:
Base-Base interactions energy: -1283.320
where: short stacking energy: -531.994
Base-Backbone interact. energy: -3.161
local terms energy: -542.646439
where:
bonds (distance) C4'-P energy: -95.260
bonds (distance) P-C4' energy: -103.644
flat angles C4'-P-C4' energy: -112.227
flat angles P-C4'-P energy: -84.443
tors. eta vs tors. theta energy: -147.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1794.942807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.942807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.942807 (E_RNA)
where:
Base-Base interactions energy: -1263.364
where: short stacking energy: -538.794
Base-Backbone interact. energy: -1.283
local terms energy: -530.295632
where:
bonds (distance) C4'-P energy: -83.988
bonds (distance) P-C4' energy: -97.490
flat angles C4'-P-C4' energy: -116.378
flat angles P-C4'-P energy: -69.050
tors. eta vs tors. theta energy: -163.389
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: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1780.311341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.311341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.311341 (E_RNA)
where:
Base-Base interactions energy: -1256.119
where: short stacking energy: -529.670
Base-Backbone interact. energy: 1.658
local terms energy: -525.851021
where:
bonds (distance) C4'-P energy: -95.108
bonds (distance) P-C4' energy: -92.773
flat angles C4'-P-C4' energy: -103.455
flat angles P-C4'-P energy: -77.632
tors. eta vs tors. theta energy: -156.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1669.047765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.047765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.047765 (E_RNA)
where:
Base-Base interactions energy: -1173.996
where: short stacking energy: -494.104
Base-Backbone interact. energy: -0.808
local terms energy: -494.243555
where:
bonds (distance) C4'-P energy: -96.932
bonds (distance) P-C4' energy: -69.816
flat angles C4'-P-C4' energy: -116.015
flat angles P-C4'-P energy: -70.846
tors. eta vs tors. theta energy: -140.633
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: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1626.402145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.402145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.402145 (E_RNA)
where:
Base-Base interactions energy: -1156.467
where: short stacking energy: -484.970
Base-Backbone interact. energy: 0.066
local terms energy: -470.001311
where:
bonds (distance) C4'-P energy: -83.793
bonds (distance) P-C4' energy: -76.811
flat angles C4'-P-C4' energy: -103.571
flat angles P-C4'-P energy: -67.880
tors. eta vs tors. theta energy: -137.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1561.302087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.302087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.302087 (E_RNA)
where:
Base-Base interactions energy: -1108.114
where: short stacking energy: -434.970
Base-Backbone interact. energy: 2.978
local terms energy: -456.166263
where:
bonds (distance) C4'-P energy: -80.394
bonds (distance) P-C4' energy: -93.948
flat angles C4'-P-C4' energy: -86.393
flat angles P-C4'-P energy: -68.659
tors. eta vs tors. theta energy: -126.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1473.113212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.113212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.113212 (E_RNA)
where:
Base-Base interactions energy: -1040.597
where: short stacking energy: -436.652
Base-Backbone interact. energy: 3.883
local terms energy: -436.399126
where:
bonds (distance) C4'-P energy: -61.878
bonds (distance) P-C4' energy: -93.807
flat angles C4'-P-C4' energy: -99.737
flat angles P-C4'-P energy: -60.092
tors. eta vs tors. theta energy: -120.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1232.348386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.348386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.348386 (E_RNA)
where:
Base-Base interactions energy: -820.859
where: short stacking energy: -342.813
Base-Backbone interact. energy: 0.137
local terms energy: -411.626203
where:
bonds (distance) C4'-P energy: -67.526
bonds (distance) P-C4' energy: -89.543
flat angles C4'-P-C4' energy: -92.839
flat angles P-C4'-P energy: -64.942
tors. eta vs tors. theta energy: -96.775
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: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -947.395216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.395216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.395216 (E_RNA)
where:
Base-Base interactions energy: -621.608
where: short stacking energy: -267.166
Base-Backbone interact. energy: 1.043
local terms energy: -326.829904
where:
bonds (distance) C4'-P energy: -63.484
bonds (distance) P-C4' energy: -60.982
flat angles C4'-P-C4' energy: -98.681
flat angles P-C4'-P energy: -51.890
tors. eta vs tors. theta energy: -51.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -874.001331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.001331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.001331 (E_RNA)
where:
Base-Base interactions energy: -547.263
where: short stacking energy: -234.776
Base-Backbone interact. energy: 1.828
local terms energy: -328.566685
where:
bonds (distance) C4'-P energy: -76.653
bonds (distance) P-C4' energy: -75.181
flat angles C4'-P-C4' energy: -99.622
flat angles P-C4'-P energy: -48.057
tors. eta vs tors. theta energy: -29.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1826.570836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.570836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.570836 (E_RNA)
where:
Base-Base interactions energy: -1289.202
where: short stacking energy: -516.312
Base-Backbone interact. energy: -1.400
local terms energy: -535.968998
where:
bonds (distance) C4'-P energy: -97.828
bonds (distance) P-C4' energy: -102.068
flat angles C4'-P-C4' energy: -113.108
flat angles P-C4'-P energy: -71.637
tors. eta vs tors. theta energy: -151.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1780.922354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.922354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.922354 (E_RNA)
where:
Base-Base interactions energy: -1241.489
where: short stacking energy: -516.195
Base-Backbone interact. energy: -0.786
local terms energy: -538.647126
where:
bonds (distance) C4'-P energy: -93.945
bonds (distance) P-C4' energy: -105.488
flat angles C4'-P-C4' energy: -110.348
flat angles P-C4'-P energy: -74.759
tors. eta vs tors. theta energy: -154.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1756.417652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.417652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.417652 (E_RNA)
where:
Base-Base interactions energy: -1242.567
where: short stacking energy: -524.383
Base-Backbone interact. energy: -1.281
local terms energy: -512.569827
where:
bonds (distance) C4'-P energy: -87.645
bonds (distance) P-C4' energy: -86.035
flat angles C4'-P-C4' energy: -115.291
flat angles P-C4'-P energy: -71.524
tors. eta vs tors. theta energy: -152.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1674.617462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.617462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.617462 (E_RNA)
where:
Base-Base interactions energy: -1171.324
where: short stacking energy: -473.220
Base-Backbone interact. energy: -1.107
local terms energy: -502.186710
where:
bonds (distance) C4'-P energy: -88.612
bonds (distance) P-C4' energy: -98.147
flat angles C4'-P-C4' energy: -97.716
flat angles P-C4'-P energy: -73.841
tors. eta vs tors. theta energy: -143.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1631.303623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.303623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.303623 (E_RNA)
where:
Base-Base interactions energy: -1161.151
where: short stacking energy: -470.653
Base-Backbone interact. energy: -3.672
local terms energy: -466.480453
where:
bonds (distance) C4'-P energy: -78.851
bonds (distance) P-C4' energy: -88.820
flat angles C4'-P-C4' energy: -101.278
flat angles P-C4'-P energy: -67.794
tors. eta vs tors. theta energy: -129.737
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: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1588.390397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.390397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.390397 (E_RNA)
where:
Base-Base interactions energy: -1128.483
where: short stacking energy: -463.147
Base-Backbone interact. energy: -2.464
local terms energy: -457.443014
where:
bonds (distance) C4'-P energy: -81.104
bonds (distance) P-C4' energy: -86.043
flat angles C4'-P-C4' energy: -100.345
flat angles P-C4'-P energy: -56.225
tors. eta vs tors. theta energy: -133.726
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: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1464.902603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.902603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.902603 (E_RNA)
where:
Base-Base interactions energy: -1035.533
where: short stacking energy: -425.196
Base-Backbone interact. energy: 0.486
local terms energy: -429.855655
where:
bonds (distance) C4'-P energy: -77.663
bonds (distance) P-C4' energy: -72.684
flat angles C4'-P-C4' energy: -98.733
flat angles P-C4'-P energy: -69.261
tors. eta vs tors. theta energy: -111.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1249.664934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.664934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.664934 (E_RNA)
where:
Base-Base interactions energy: -863.580
where: short stacking energy: -372.620
Base-Backbone interact. energy: 2.270
local terms energy: -388.355055
where:
bonds (distance) C4'-P energy: -75.224
bonds (distance) P-C4' energy: -94.330
flat angles C4'-P-C4' energy: -75.775
flat angles P-C4'-P energy: -51.046
tors. eta vs tors. theta energy: -91.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -947.566084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.566084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.566084 (E_RNA)
where:
Base-Base interactions energy: -622.914
where: short stacking energy: -280.585
Base-Backbone interact. energy: -2.217
local terms energy: -322.435108
where:
bonds (distance) C4'-P energy: -74.541
bonds (distance) P-C4' energy: -76.101
flat angles C4'-P-C4' energy: -75.807
flat angles P-C4'-P energy: -46.265
tors. eta vs tors. theta energy: -49.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -889.426742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.426742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.426742 (E_RNA)
where:
Base-Base interactions energy: -594.446
where: short stacking energy: -262.867
Base-Backbone interact. energy: -1.296
local terms energy: -293.685674
where:
bonds (distance) C4'-P energy: -68.304
bonds (distance) P-C4' energy: -87.170
flat angles C4'-P-C4' energy: -64.617
flat angles P-C4'-P energy: -25.983
tors. eta vs tors. theta energy: -47.611
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: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1833.328391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.328391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.328391 (E_RNA)
where:
Base-Base interactions energy: -1302.664
where: short stacking energy: -530.920
Base-Backbone interact. energy: -1.350
local terms energy: -529.314581
where:
bonds (distance) C4'-P energy: -104.440
bonds (distance) P-C4' energy: -91.190
flat angles C4'-P-C4' energy: -107.137
flat angles P-C4'-P energy: -86.227
tors. eta vs tors. theta energy: -140.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1819.878346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.878346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.878346 (E_RNA)
where:
Base-Base interactions energy: -1280.132
where: short stacking energy: -537.663
Base-Backbone interact. energy: -0.660
local terms energy: -539.086325
where:
bonds (distance) C4'-P energy: -98.869
bonds (distance) P-C4' energy: -97.981
flat angles C4'-P-C4' energy: -104.508
flat angles P-C4'-P energy: -79.607
tors. eta vs tors. theta energy: -158.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1731.753594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.753594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.753594 (E_RNA)
where:
Base-Base interactions energy: -1216.629
where: short stacking energy: -510.370
Base-Backbone interact. energy: 1.273
local terms energy: -516.397627
where:
bonds (distance) C4'-P energy: -81.905
bonds (distance) P-C4' energy: -97.541
flat angles C4'-P-C4' energy: -111.660
flat angles P-C4'-P energy: -79.541
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: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1668.021497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.021497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.021497 (E_RNA)
where:
Base-Base interactions energy: -1174.912
where: short stacking energy: -490.611
Base-Backbone interact. energy: -1.127
local terms energy: -491.982822
where:
bonds (distance) C4'-P energy: -93.161
bonds (distance) P-C4' energy: -91.741
flat angles C4'-P-C4' energy: -96.242
flat angles P-C4'-P energy: -74.266
tors. eta vs tors. theta energy: -136.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1622.272335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.272335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.272335 (E_RNA)
where:
Base-Base interactions energy: -1145.322
where: short stacking energy: -468.178
Base-Backbone interact. energy: 3.731
local terms energy: -480.681176
where:
bonds (distance) C4'-P energy: -80.775
bonds (distance) P-C4' energy: -91.203
flat angles C4'-P-C4' energy: -100.856
flat angles P-C4'-P energy: -73.376
tors. eta vs tors. theta energy: -134.471
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: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1604.894663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.894663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.894663 (E_RNA)
where:
Base-Base interactions energy: -1123.786
where: short stacking energy: -455.292
Base-Backbone interact. energy: -1.655
local terms energy: -479.453664
where:
bonds (distance) C4'-P energy: -89.030
bonds (distance) P-C4' energy: -83.685
flat angles C4'-P-C4' energy: -104.938
flat angles P-C4'-P energy: -59.584
tors. eta vs tors. theta energy: -142.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1457.972742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.972742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.972742 (E_RNA)
where:
Base-Base interactions energy: -1017.619
where: short stacking energy: -408.696
Base-Backbone interact. energy: 2.351
local terms energy: -442.705039
where:
bonds (distance) C4'-P energy: -93.254
bonds (distance) P-C4' energy: -84.362
flat angles C4'-P-C4' energy: -102.478
flat angles P-C4'-P energy: -58.105
tors. eta vs tors. theta energy: -104.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1234.179890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.179890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.179890 (E_RNA)
where:
Base-Base interactions energy: -811.906
where: short stacking energy: -369.252
Base-Backbone interact. energy: -1.479
local terms energy: -420.794854
where:
bonds (distance) C4'-P energy: -84.424
bonds (distance) P-C4' energy: -90.980
flat angles C4'-P-C4' energy: -83.899
flat angles P-C4'-P energy: -60.775
tors. eta vs tors. theta energy: -100.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -918.365090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.365090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.365090 (E_RNA)
where:
Base-Base interactions energy: -565.324
where: short stacking energy: -249.131
Base-Backbone interact. energy: 0.177
local terms energy: -353.218257
where:
bonds (distance) C4'-P energy: -92.197
bonds (distance) P-C4' energy: -74.535
flat angles C4'-P-C4' energy: -86.437
flat angles P-C4'-P energy: -55.548
tors. eta vs tors. theta energy: -44.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -841.468817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.468817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.468817 (E_RNA)
where:
Base-Base interactions energy: -512.553
where: short stacking energy: -213.597
Base-Backbone interact. energy: -2.587
local terms energy: -326.328906
where:
bonds (distance) C4'-P energy: -78.231
bonds (distance) P-C4' energy: -82.517
flat angles C4'-P-C4' energy: -77.972
flat angles P-C4'-P energy: -46.742
tors. eta vs tors. theta energy: -40.868
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: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1835.949992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.949992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.949992 (E_RNA)
where:
Base-Base interactions energy: -1303.486
where: short stacking energy: -529.891
Base-Backbone interact. energy: -2.758
local terms energy: -529.705914
where:
bonds (distance) C4'-P energy: -99.144
bonds (distance) P-C4' energy: -86.218
flat angles C4'-P-C4' energy: -112.555
flat angles P-C4'-P energy: -78.075
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: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1825.316264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.316264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.316264 (E_RNA)
where:
Base-Base interactions energy: -1270.902
where: short stacking energy: -524.223
Base-Backbone interact. energy: -1.194
local terms energy: -553.219723
where:
bonds (distance) C4'-P energy: -103.205
bonds (distance) P-C4' energy: -104.158
flat angles C4'-P-C4' energy: -108.134
flat angles P-C4'-P energy: -79.729
tors. eta vs tors. theta energy: -157.995
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: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1765.692551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.692551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.692551 (E_RNA)
where:
Base-Base interactions energy: -1222.789
where: short stacking energy: -520.354
Base-Backbone interact. energy: -1.100
local terms energy: -541.803697
where:
bonds (distance) C4'-P energy: -95.309
bonds (distance) P-C4' energy: -87.925
flat angles C4'-P-C4' energy: -112.460
flat angles P-C4'-P energy: -86.943
tors. eta vs tors. theta energy: -159.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1670.729489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.729489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.729489 (E_RNA)
where:
Base-Base interactions energy: -1189.102
where: short stacking energy: -480.708
Base-Backbone interact. energy: -1.585
local terms energy: -480.042232
where:
bonds (distance) C4'-P energy: -84.800
bonds (distance) P-C4' energy: -93.996
flat angles C4'-P-C4' energy: -100.596
flat angles P-C4'-P energy: -72.763
tors. eta vs tors. theta energy: -127.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1587.417051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.417051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.417051 (E_RNA)
where:
Base-Base interactions energy: -1121.067
where: short stacking energy: -446.409
Base-Backbone interact. energy: -1.244
local terms energy: -465.106489
where:
bonds (distance) C4'-P energy: -91.912
bonds (distance) P-C4' energy: -90.974
flat angles C4'-P-C4' energy: -94.569
flat angles P-C4'-P energy: -58.539
tors. eta vs tors. theta energy: -129.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1606.810018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.810018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.810018 (E_RNA)
where:
Base-Base interactions energy: -1128.623
where: short stacking energy: -431.873
Base-Backbone interact. energy: 2.341
local terms energy: -480.527420
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -75.418
flat angles C4'-P-C4' energy: -106.403
flat angles P-C4'-P energy: -74.011
tors. eta vs tors. theta energy: -130.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1464.279539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.279539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.279539 (E_RNA)
where:
Base-Base interactions energy: -1028.735
where: short stacking energy: -422.137
Base-Backbone interact. energy: -2.058
local terms energy: -433.486762
where:
bonds (distance) C4'-P energy: -85.545
bonds (distance) P-C4' energy: -70.102
flat angles C4'-P-C4' energy: -96.987
flat angles P-C4'-P energy: -67.750
tors. eta vs tors. theta energy: -113.102
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: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1201.568571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.568571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.568571 (E_RNA)
where:
Base-Base interactions energy: -800.496
where: short stacking energy: -341.588
Base-Backbone interact. energy: -3.386
local terms energy: -397.686670
where:
bonds (distance) C4'-P energy: -80.747
bonds (distance) P-C4' energy: -76.545
flat angles C4'-P-C4' energy: -92.985
flat angles P-C4'-P energy: -53.671
tors. eta vs tors. theta energy: -93.739
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: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -974.854081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.854081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.854081 (E_RNA)
where:
Base-Base interactions energy: -604.294
where: short stacking energy: -283.012
Base-Backbone interact. energy: 3.249
local terms energy: -373.808507
where:
bonds (distance) C4'-P energy: -75.504
bonds (distance) P-C4' energy: -100.511
flat angles C4'-P-C4' energy: -75.172
flat angles P-C4'-P energy: -58.538
tors. eta vs tors. theta energy: -64.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -816.352587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.352587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.352587 (E_RNA)
where:
Base-Base interactions energy: -481.139
where: short stacking energy: -225.840
Base-Backbone interact. energy: 1.347
local terms energy: -336.560663
where:
bonds (distance) C4'-P energy: -76.434
bonds (distance) P-C4' energy: -86.390
flat angles C4'-P-C4' energy: -86.249
flat angles P-C4'-P energy: -40.066
tors. eta vs tors. theta energy: -47.421
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: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1829.636415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.636415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.636415 (E_RNA)
where:
Base-Base interactions energy: -1278.702
where: short stacking energy: -552.080
Base-Backbone interact. energy: -3.656
local terms energy: -547.278270
where:
bonds (distance) C4'-P energy: -104.727
bonds (distance) P-C4' energy: -93.656
flat angles C4'-P-C4' energy: -111.933
flat angles P-C4'-P energy: -77.228
tors. eta vs tors. theta energy: -159.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1831.929776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.929776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.929776 (E_RNA)
where:
Base-Base interactions energy: -1290.505
where: short stacking energy: -543.113
Base-Backbone interact. energy: -0.551
local terms energy: -540.873376
where:
bonds (distance) C4'-P energy: -98.156
bonds (distance) P-C4' energy: -96.706
flat angles C4'-P-C4' energy: -119.539
flat angles P-C4'-P energy: -72.757
tors. eta vs tors. theta energy: -153.716
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: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1764.539114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.539114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.539114 (E_RNA)
where:
Base-Base interactions energy: -1249.981
where: short stacking energy: -527.775
Base-Backbone interact. energy: -1.600
local terms energy: -512.958098
where:
bonds (distance) C4'-P energy: -87.019
bonds (distance) P-C4' energy: -86.116
flat angles C4'-P-C4' energy: -111.609
flat angles P-C4'-P energy: -73.267
tors. eta vs tors. theta energy: -154.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1660.711276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.711276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.711276 (E_RNA)
where:
Base-Base interactions energy: -1174.909
where: short stacking energy: -484.450
Base-Backbone interact. energy: -0.920
local terms energy: -484.881674
where:
bonds (distance) C4'-P energy: -83.257
bonds (distance) P-C4' energy: -97.086
flat angles C4'-P-C4' energy: -106.065
flat angles P-C4'-P energy: -68.941
tors. eta vs tors. theta energy: -129.532
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: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1605.831596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.831596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.831596 (E_RNA)
where:
Base-Base interactions energy: -1136.996
where: short stacking energy: -457.699
Base-Backbone interact. energy: -1.504
local terms energy: -467.331719
where:
bonds (distance) C4'-P energy: -83.965
bonds (distance) P-C4' energy: -88.616
flat angles C4'-P-C4' energy: -99.979
flat angles P-C4'-P energy: -62.736
tors. eta vs tors. theta energy: -132.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1570.601748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.601748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.601748 (E_RNA)
where:
Base-Base interactions energy: -1113.839
where: short stacking energy: -453.845
Base-Backbone interact. energy: 1.800
local terms energy: -458.562963
where:
bonds (distance) C4'-P energy: -89.124
bonds (distance) P-C4' energy: -75.502
flat angles C4'-P-C4' energy: -100.782
flat angles P-C4'-P energy: -64.526
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: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1494.746692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.746692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.746692 (E_RNA)
where:
Base-Base interactions energy: -1048.383
where: short stacking energy: -435.002
Base-Backbone interact. energy: -1.696
local terms energy: -444.667925
where:
bonds (distance) C4'-P energy: -81.452
bonds (distance) P-C4' energy: -83.189
flat angles C4'-P-C4' energy: -89.515
flat angles P-C4'-P energy: -68.308
tors. eta vs tors. theta energy: -122.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1168.763885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.763885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.763885 (E_RNA)
where:
Base-Base interactions energy: -764.451
where: short stacking energy: -350.802
Base-Backbone interact. energy: 0.141
local terms energy: -404.453425
where:
bonds (distance) C4'-P energy: -90.321
bonds (distance) P-C4' energy: -78.059
flat angles C4'-P-C4' energy: -80.880
flat angles P-C4'-P energy: -68.545
tors. eta vs tors. theta energy: -86.648
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: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -997.103824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.103824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.103824 (E_RNA)
where:
Base-Base interactions energy: -629.435
where: short stacking energy: -289.017
Base-Backbone interact. energy: -0.666
local terms energy: -367.002765
where:
bonds (distance) C4'-P energy: -82.724
bonds (distance) P-C4' energy: -81.458
flat angles C4'-P-C4' energy: -70.666
flat angles P-C4'-P energy: -67.588
tors. eta vs tors. theta energy: -64.566
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: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -876.816494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.816494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.816494 (E_RNA)
where:
Base-Base interactions energy: -566.342
where: short stacking energy: -241.077
Base-Backbone interact. energy: -1.187
local terms energy: -309.286736
where:
bonds (distance) C4'-P energy: -81.940
bonds (distance) P-C4' energy: -75.850
flat angles C4'-P-C4' energy: -77.498
flat angles P-C4'-P energy: -42.020
tors. eta vs tors. theta energy: -31.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1835.680992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.680992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.680992 (E_RNA)
where:
Base-Base interactions energy: -1304.813
where: short stacking energy: -536.857
Base-Backbone interact. energy: -2.402
local terms energy: -528.465752
where:
bonds (distance) C4'-P energy: -95.380
bonds (distance) P-C4' energy: -95.410
flat angles C4'-P-C4' energy: -113.140
flat angles P-C4'-P energy: -80.339
tors. eta vs tors. theta energy: -144.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1787.027255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.027255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.027255 (E_RNA)
where:
Base-Base interactions energy: -1244.867
where: short stacking energy: -523.108
Base-Backbone interact. energy: -0.517
local terms energy: -541.644036
where:
bonds (distance) C4'-P energy: -101.313
bonds (distance) P-C4' energy: -92.352
flat angles C4'-P-C4' energy: -103.324
flat angles P-C4'-P energy: -81.261
tors. eta vs tors. theta energy: -163.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1782.102570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.102570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.102570 (E_RNA)
where:
Base-Base interactions energy: -1258.941
where: short stacking energy: -524.271
Base-Backbone interact. energy: 2.301
local terms energy: -525.463072
where:
bonds (distance) C4'-P energy: -94.199
bonds (distance) P-C4' energy: -89.103
flat angles C4'-P-C4' energy: -114.521
flat angles P-C4'-P energy: -74.764
tors. eta vs tors. theta energy: -152.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1675.236200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.236200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.236200 (E_RNA)
where:
Base-Base interactions energy: -1164.058
where: short stacking energy: -493.887
Base-Backbone interact. energy: -1.523
local terms energy: -509.654801
where:
bonds (distance) C4'-P energy: -97.115
bonds (distance) P-C4' energy: -90.541
flat angles C4'-P-C4' energy: -107.386
flat angles P-C4'-P energy: -70.526
tors. eta vs tors. theta energy: -144.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1616.153027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.153027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.153027 (E_RNA)
where:
Base-Base interactions energy: -1139.993
where: short stacking energy: -484.317
Base-Backbone interact. energy: -1.328
local terms energy: -474.831232
where:
bonds (distance) C4'-P energy: -76.758
bonds (distance) P-C4' energy: -93.325
flat angles C4'-P-C4' energy: -97.850
flat angles P-C4'-P energy: -69.889
tors. eta vs tors. theta energy: -137.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1566.513355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.513355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.513355 (E_RNA)
where:
Base-Base interactions energy: -1089.626
where: short stacking energy: -468.897
Base-Backbone interact. energy: -1.260
local terms energy: -475.627838
where:
bonds (distance) C4'-P energy: -82.045
bonds (distance) P-C4' energy: -84.857
flat angles C4'-P-C4' energy: -109.219
flat angles P-C4'-P energy: -64.235
tors. eta vs tors. theta energy: -135.271
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: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1485.610671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.610671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.610671 (E_RNA)
where:
Base-Base interactions energy: -1059.185
where: short stacking energy: -457.892
Base-Backbone interact. energy: -0.219
local terms energy: -426.206140
where:
bonds (distance) C4'-P energy: -78.536
bonds (distance) P-C4' energy: -74.706
flat angles C4'-P-C4' energy: -90.069
flat angles P-C4'-P energy: -59.776
tors. eta vs tors. theta energy: -123.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1221.192501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.192501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.192501 (E_RNA)
where:
Base-Base interactions energy: -807.361
where: short stacking energy: -357.597
Base-Backbone interact. energy: -0.342
local terms energy: -413.490192
where:
bonds (distance) C4'-P energy: -82.870
bonds (distance) P-C4' energy: -82.075
flat angles C4'-P-C4' energy: -102.644
flat angles P-C4'-P energy: -58.151
tors. eta vs tors. theta energy: -87.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1037.059792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.059792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.059792 (E_RNA)
where:
Base-Base interactions energy: -698.894
where: short stacking energy: -307.114
Base-Backbone interact. energy: 1.807
local terms energy: -339.972781
where:
bonds (distance) C4'-P energy: -79.098
bonds (distance) P-C4' energy: -64.549
flat angles C4'-P-C4' energy: -71.207
flat angles P-C4'-P energy: -61.590
tors. eta vs tors. theta energy: -63.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -880.276950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.276950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.276950 (E_RNA)
where:
Base-Base interactions energy: -548.110
where: short stacking energy: -242.783
Base-Backbone interact. energy: -1.772
local terms energy: -330.395071
where:
bonds (distance) C4'-P energy: -67.337
bonds (distance) P-C4' energy: -87.546
flat angles C4'-P-C4' energy: -72.517
flat angles P-C4'-P energy: -52.407
tors. eta vs tors. theta energy: -50.589
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: 6
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1860.909411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.909411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.909411 (E_RNA)
where:
Base-Base interactions energy: -1328.978
where: short stacking energy: -542.113
Base-Backbone interact. energy: -3.923
local terms energy: -528.009154
where:
bonds (distance) C4'-P energy: -88.192
bonds (distance) P-C4' energy: -95.111
flat angles C4'-P-C4' energy: -110.719
flat angles P-C4'-P energy: -80.907
tors. eta vs tors. theta energy: -153.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1787.709528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.709528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.709528 (E_RNA)
where:
Base-Base interactions energy: -1257.203
where: short stacking energy: -527.314
Base-Backbone interact. energy: 0.658
local terms energy: -531.163821
where:
bonds (distance) C4'-P energy: -80.186
bonds (distance) P-C4' energy: -95.216
flat angles C4'-P-C4' energy: -113.533
flat angles P-C4'-P energy: -81.679
tors. eta vs tors. theta energy: -160.549
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: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1763.034084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.034084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.034084 (E_RNA)
where:
Base-Base interactions energy: -1209.203
where: short stacking energy: -514.949
Base-Backbone interact. energy: -1.865
local terms energy: -551.966172
where:
bonds (distance) C4'-P energy: -98.114
bonds (distance) P-C4' energy: -107.065
flat angles C4'-P-C4' energy: -115.595
flat angles P-C4'-P energy: -70.220
tors. eta vs tors. theta energy: -160.971
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: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1692.458483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.458483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.458483 (E_RNA)
where:
Base-Base interactions energy: -1181.687
where: short stacking energy: -491.876
Base-Backbone interact. energy: 0.617
local terms energy: -511.388929
where:
bonds (distance) C4'-P energy: -92.649
bonds (distance) P-C4' energy: -98.575
flat angles C4'-P-C4' energy: -107.199
flat angles P-C4'-P energy: -68.878
tors. eta vs tors. theta energy: -144.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1605.303050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.303050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.303050 (E_RNA)
where:
Base-Base interactions energy: -1156.925
where: short stacking energy: -465.686
Base-Backbone interact. energy: -2.025
local terms energy: -446.353257
where:
bonds (distance) C4'-P energy: -85.931
bonds (distance) P-C4' energy: -77.721
flat angles C4'-P-C4' energy: -95.169
flat angles P-C4'-P energy: -59.952
tors. eta vs tors. theta energy: -127.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1605.970149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.970149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.970149 (E_RNA)
where:
Base-Base interactions energy: -1132.242
where: short stacking energy: -463.190
Base-Backbone interact. energy: -0.013
local terms energy: -473.714609
where:
bonds (distance) C4'-P energy: -72.907
bonds (distance) P-C4' energy: -89.673
flat angles C4'-P-C4' energy: -111.169
flat angles P-C4'-P energy: -70.708
tors. eta vs tors. theta energy: -129.258
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: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1486.389260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.389260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.389260 (E_RNA)
where:
Base-Base interactions energy: -1067.755
where: short stacking energy: -447.361
Base-Backbone interact. energy: 2.258
local terms energy: -420.891813
where:
bonds (distance) C4'-P energy: -81.324
bonds (distance) P-C4' energy: -74.123
flat angles C4'-P-C4' energy: -97.639
flat angles P-C4'-P energy: -45.452
tors. eta vs tors. theta energy: -122.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1174.368743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.368743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.368743 (E_RNA)
where:
Base-Base interactions energy: -790.248
where: short stacking energy: -350.483
Base-Backbone interact. energy: -0.157
local terms energy: -383.963336
where:
bonds (distance) C4'-P energy: -79.670
bonds (distance) P-C4' energy: -87.116
flat angles C4'-P-C4' energy: -97.811
flat angles P-C4'-P energy: -44.242
tors. eta vs tors. theta energy: -75.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -979.716692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.716692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.716692 (E_RNA)
where:
Base-Base interactions energy: -631.900
where: short stacking energy: -299.421
Base-Backbone interact. energy: -1.177
local terms energy: -346.639418
where:
bonds (distance) C4'-P energy: -85.037
bonds (distance) P-C4' energy: -80.716
flat angles C4'-P-C4' energy: -81.924
flat angles P-C4'-P energy: -41.799
tors. eta vs tors. theta energy: -57.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -878.580628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.580628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.580628 (E_RNA)
where:
Base-Base interactions energy: -551.565
where: short stacking energy: -269.271
Base-Backbone interact. energy: 1.733
local terms energy: -328.749240
where:
bonds (distance) C4'-P energy: -71.581
bonds (distance) P-C4' energy: -85.224
flat angles C4'-P-C4' energy: -66.695
flat angles P-C4'-P energy: -53.826
tors. eta vs tors. theta energy: -51.423
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: 6
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1874.115337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.115337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.115337 (E_RNA)
where:
Base-Base interactions energy: -1325.237
where: short stacking energy: -522.417
Base-Backbone interact. energy: 0.522
local terms energy: -549.400972
where:
bonds (distance) C4'-P energy: -95.444
bonds (distance) P-C4' energy: -94.213
flat angles C4'-P-C4' energy: -116.193
flat angles P-C4'-P energy: -91.933
tors. eta vs tors. theta energy: -151.617
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: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1815.721747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.721747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.721747 (E_RNA)
where:
Base-Base interactions energy: -1253.790
where: short stacking energy: -514.455
Base-Backbone interact. energy: -1.567
local terms energy: -560.364571
where:
bonds (distance) C4'-P energy: -100.286
bonds (distance) P-C4' energy: -115.129
flat angles C4'-P-C4' energy: -109.269
flat angles P-C4'-P energy: -79.771
tors. eta vs tors. theta energy: -155.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1749.795364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.795364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.795364 (E_RNA)
where:
Base-Base interactions energy: -1235.884
where: short stacking energy: -508.877
Base-Backbone interact. energy: -0.401
local terms energy: -513.510281
where:
bonds (distance) C4'-P energy: -83.271
bonds (distance) P-C4' energy: -94.982
flat angles C4'-P-C4' energy: -112.291
flat angles P-C4'-P energy: -72.256
tors. eta vs tors. theta energy: -150.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1667.718352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.718352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.718352 (E_RNA)
where:
Base-Base interactions energy: -1160.567
where: short stacking energy: -506.227
Base-Backbone interact. energy: 0.112
local terms energy: -507.263600
where:
bonds (distance) C4'-P energy: -100.414
bonds (distance) P-C4' energy: -90.350
flat angles C4'-P-C4' energy: -110.045
flat angles P-C4'-P energy: -62.463
tors. eta vs tors. theta energy: -143.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1633.895091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.895091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.895091 (E_RNA)
where:
Base-Base interactions energy: -1148.994
where: short stacking energy: -494.768
Base-Backbone interact. energy: 2.725
local terms energy: -487.626824
where:
bonds (distance) C4'-P energy: -88.465
bonds (distance) P-C4' energy: -91.728
flat angles C4'-P-C4' energy: -101.864
flat angles P-C4'-P energy: -67.725
tors. eta vs tors. theta energy: -137.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1579.422879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.422879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.422879 (E_RNA)
where:
Base-Base interactions energy: -1108.521
where: short stacking energy: -448.946
Base-Backbone interact. energy: -1.229
local terms energy: -469.672895
where:
bonds (distance) C4'-P energy: -81.600
bonds (distance) P-C4' energy: -96.330
flat angles C4'-P-C4' energy: -98.288
flat angles P-C4'-P energy: -65.099
tors. eta vs tors. theta energy: -128.356
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: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1507.246492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.246492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.246492 (E_RNA)
where:
Base-Base interactions energy: -1060.963
where: short stacking energy: -450.427
Base-Backbone interact. energy: 0.240
local terms energy: -446.524131
where:
bonds (distance) C4'-P energy: -83.554
bonds (distance) P-C4' energy: -88.703
flat angles C4'-P-C4' energy: -97.820
flat angles P-C4'-P energy: -51.581
tors. eta vs tors. theta energy: -124.865
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: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1156.119977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.119977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.119977 (E_RNA)
where:
Base-Base interactions energy: -747.821
where: short stacking energy: -333.854
Base-Backbone interact. energy: -1.658
local terms energy: -406.640507
where:
bonds (distance) C4'-P energy: -76.452
bonds (distance) P-C4' energy: -83.930
flat angles C4'-P-C4' energy: -96.810
flat angles P-C4'-P energy: -66.692
tors. eta vs tors. theta energy: -82.756
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: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1017.463988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.463988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.463988 (E_RNA)
where:
Base-Base interactions energy: -642.947
where: short stacking energy: -304.268
Base-Backbone interact. energy: -5.274
local terms energy: -369.242845
where:
bonds (distance) C4'-P energy: -84.785
bonds (distance) P-C4' energy: -91.173
flat angles C4'-P-C4' energy: -87.257
flat angles P-C4'-P energy: -37.331
tors. eta vs tors. theta energy: -68.696
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: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -790.692213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.692213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.692213 (E_RNA)
where:
Base-Base interactions energy: -502.021
where: short stacking energy: -218.174
Base-Backbone interact. energy: -2.948
local terms energy: -285.723745
where:
bonds (distance) C4'-P energy: -57.835
bonds (distance) P-C4' energy: -71.133
flat angles C4'-P-C4' energy: -76.767
flat angles P-C4'-P energy: -58.864
tors. eta vs tors. theta energy: -21.124
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: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1862.806007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.806007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.806007 (E_RNA)
where:
Base-Base interactions energy: -1308.571
where: short stacking energy: -539.959
Base-Backbone interact. energy: -1.206
local terms energy: -553.028741
where:
bonds (distance) C4'-P energy: -99.845
bonds (distance) P-C4' energy: -96.323
flat angles C4'-P-C4' energy: -113.834
flat angles P-C4'-P energy: -86.554
tors. eta vs tors. theta energy: -156.472
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: 364
Temperature: 0.950000
Total energy: -1858.376649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.376649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.376649 (E_RNA)
where:
Base-Base interactions energy: -1314.370
where: short stacking energy: -542.423
Base-Backbone interact. energy: -0.447
local terms energy: -543.559640
where:
bonds (distance) C4'-P energy: -87.817
bonds (distance) P-C4' energy: -96.063
flat angles C4'-P-C4' energy: -111.319
flat angles P-C4'-P energy: -80.779
tors. eta vs tors. theta energy: -167.582
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: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1760.032507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.032507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.032507 (E_RNA)
where:
Base-Base interactions energy: -1220.994
where: short stacking energy: -511.127
Base-Backbone interact. energy: 1.197
local terms energy: -540.235977
where:
bonds (distance) C4'-P energy: -105.066
bonds (distance) P-C4' energy: -100.786
flat angles C4'-P-C4' energy: -116.381
flat angles P-C4'-P energy: -71.187
tors. eta vs tors. theta energy: -146.816
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: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1664.788898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.788898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.788898 (E_RNA)
where:
Base-Base interactions energy: -1162.478
where: short stacking energy: -491.050
Base-Backbone interact. energy: -1.729
local terms energy: -500.581745
where:
bonds (distance) C4'-P energy: -82.354
bonds (distance) P-C4' energy: -93.013
flat angles C4'-P-C4' energy: -106.434
flat angles P-C4'-P energy: -78.286
tors. eta vs tors. theta energy: -140.496
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: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1633.983386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.983386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.983386 (E_RNA)
where:
Base-Base interactions energy: -1154.055
where: short stacking energy: -471.960
Base-Backbone interact. energy: -2.692
local terms energy: -477.236897
where:
bonds (distance) C4'-P energy: -83.074
bonds (distance) P-C4' energy: -81.722
flat angles C4'-P-C4' energy: -103.113
flat angles P-C4'-P energy: -74.278
tors. eta vs tors. theta energy: -135.049
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: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1557.299923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.299923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.299923 (E_RNA)
where:
Base-Base interactions energy: -1068.250
where: short stacking energy: -446.315
Base-Backbone interact. energy: -2.413
local terms energy: -486.635978
where:
bonds (distance) C4'-P energy: -97.566
bonds (distance) P-C4' energy: -105.421
flat angles C4'-P-C4' energy: -95.656
flat angles P-C4'-P energy: -62.105
tors. eta vs tors. theta energy: -125.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1496.446986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.446986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.446986 (E_RNA)
where:
Base-Base interactions energy: -1027.725
where: short stacking energy: -432.887
Base-Backbone interact. energy: -0.170
local terms energy: -468.552343
where:
bonds (distance) C4'-P energy: -90.185
bonds (distance) P-C4' energy: -81.439
flat angles C4'-P-C4' energy: -103.037
flat angles P-C4'-P energy: -64.749
tors. eta vs tors. theta energy: -129.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1124.084513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.084513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.084513 (E_RNA)
where:
Base-Base interactions energy: -759.369
where: short stacking energy: -322.434
Base-Backbone interact. energy: 0.950
local terms energy: -365.665551
where:
bonds (distance) C4'-P energy: -76.538
bonds (distance) P-C4' energy: -79.366
flat angles C4'-P-C4' energy: -86.578
flat angles P-C4'-P energy: -49.239
tors. eta vs tors. theta energy: -73.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -987.938303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.938303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.938303 (E_RNA)
where:
Base-Base interactions energy: -614.746
where: short stacking energy: -284.307
Base-Backbone interact. energy: -0.867
local terms energy: -372.325308
where:
bonds (distance) C4'-P energy: -73.600
bonds (distance) P-C4' energy: -84.586
flat angles C4'-P-C4' energy: -89.128
flat angles P-C4'-P energy: -63.541
tors. eta vs tors. theta energy: -61.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -972.272609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.272609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.272609 (E_RNA)
where:
Base-Base interactions energy: -645.310
where: short stacking energy: -270.897
Base-Backbone interact. energy: -3.312
local terms energy: -323.650567
where:
bonds (distance) C4'-P energy: -84.210
bonds (distance) P-C4' energy: -91.585
flat angles C4'-P-C4' energy: -65.226
flat angles P-C4'-P energy: -39.643
tors. eta vs tors. theta energy: -42.987
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: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1837.991071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.991071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.991071 (E_RNA)
where:
Base-Base interactions energy: -1286.408
where: short stacking energy: -529.740
Base-Backbone interact. energy: -1.682
local terms energy: -549.900986
where:
bonds (distance) C4'-P energy: -97.848
bonds (distance) P-C4' energy: -104.598
flat angles C4'-P-C4' energy: -111.758
flat angles P-C4'-P energy: -80.597
tors. eta vs tors. theta energy: -155.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1810.581653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.581653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.581653 (E_RNA)
where:
Base-Base interactions energy: -1266.179
where: short stacking energy: -531.407
Base-Backbone interact. energy: -2.684
local terms energy: -541.718517
where:
bonds (distance) C4'-P energy: -102.238
bonds (distance) P-C4' energy: -88.127
flat angles C4'-P-C4' energy: -115.444
flat angles P-C4'-P energy: -80.350
tors. eta vs tors. theta energy: -155.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1779.912616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.912616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.912616 (E_RNA)
where:
Base-Base interactions energy: -1255.477
where: short stacking energy: -533.451
Base-Backbone interact. energy: -1.564
local terms energy: -522.872549
where:
bonds (distance) C4'-P energy: -86.867
bonds (distance) P-C4' energy: -99.661
flat angles C4'-P-C4' energy: -101.468
flat angles P-C4'-P energy: -74.194
tors. eta vs tors. theta energy: -160.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1698.924213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.924213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.924213 (E_RNA)
where:
Base-Base interactions energy: -1201.908
where: short stacking energy: -511.146
Base-Backbone interact. energy: 1.708
local terms energy: -498.725051
where:
bonds (distance) C4'-P energy: -79.733
bonds (distance) P-C4' energy: -97.597
flat angles C4'-P-C4' energy: -104.819
flat angles P-C4'-P energy: -65.858
tors. eta vs tors. theta energy: -150.717
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: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1625.901858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.901858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.901858 (E_RNA)
where:
Base-Base interactions energy: -1137.187
where: short stacking energy: -467.014
Base-Backbone interact. energy: -1.724
local terms energy: -486.990467
where:
bonds (distance) C4'-P energy: -95.945
bonds (distance) P-C4' energy: -93.547
flat angles C4'-P-C4' energy: -103.812
flat angles P-C4'-P energy: -64.474
tors. eta vs tors. theta energy: -129.212
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: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1580.954198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.954198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.954198 (E_RNA)
where:
Base-Base interactions energy: -1120.500
where: short stacking energy: -431.453
Base-Backbone interact. energy: -1.851
local terms energy: -458.603641
where:
bonds (distance) C4'-P energy: -87.234
bonds (distance) P-C4' energy: -85.313
flat angles C4'-P-C4' energy: -102.697
flat angles P-C4'-P energy: -62.522
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: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1509.673529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.673529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.673529 (E_RNA)
where:
Base-Base interactions energy: -1080.894
where: short stacking energy: -438.777
Base-Backbone interact. energy: -0.056
local terms energy: -428.723808
where:
bonds (distance) C4'-P energy: -62.540
bonds (distance) P-C4' energy: -92.594
flat angles C4'-P-C4' energy: -81.755
flat angles P-C4'-P energy: -74.601
tors. eta vs tors. theta energy: -117.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1145.757018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.757018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.757018 (E_RNA)
where:
Base-Base interactions energy: -740.100
where: short stacking energy: -322.862
Base-Backbone interact. energy: -3.425
local terms energy: -402.231666
where:
bonds (distance) C4'-P energy: -81.008
bonds (distance) P-C4' energy: -87.144
flat angles C4'-P-C4' energy: -86.415
flat angles P-C4'-P energy: -64.734
tors. eta vs tors. theta energy: -82.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1021.391351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.391351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.391351 (E_RNA)
where:
Base-Base interactions energy: -664.801
where: short stacking energy: -294.430
Base-Backbone interact. energy: 3.220
local terms energy: -359.810821
where:
bonds (distance) C4'-P energy: -79.706
bonds (distance) P-C4' energy: -82.986
flat angles C4'-P-C4' energy: -87.694
flat angles P-C4'-P energy: -56.449
tors. eta vs tors. theta energy: -52.976
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: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -872.750001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.750001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.750001 (E_RNA)
where:
Base-Base interactions energy: -552.476
where: short stacking energy: -229.648
Base-Backbone interact. energy: -0.891
local terms energy: -319.382445
where:
bonds (distance) C4'-P energy: -76.805
bonds (distance) P-C4' energy: -85.252
flat angles C4'-P-C4' energy: -74.010
flat angles P-C4'-P energy: -45.248
tors. eta vs tors. theta energy: -38.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1851.854049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.854049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.854049 (E_RNA)
where:
Base-Base interactions energy: -1295.012
where: short stacking energy: -545.408
Base-Backbone interact. energy: 0.298
local terms energy: -557.139469
where:
bonds (distance) C4'-P energy: -96.320
bonds (distance) P-C4' energy: -112.784
flat angles C4'-P-C4' energy: -111.895
flat angles P-C4'-P energy: -83.991
tors. eta vs tors. theta energy: -152.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1812.700033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.700033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.700033 (E_RNA)
where:
Base-Base interactions energy: -1277.050
where: short stacking energy: -541.771
Base-Backbone interact. energy: -3.105
local terms energy: -532.545431
where:
bonds (distance) C4'-P energy: -95.997
bonds (distance) P-C4' energy: -93.019
flat angles C4'-P-C4' energy: -115.040
flat angles P-C4'-P energy: -69.776
tors. eta vs tors. theta energy: -158.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1782.438364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.438364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.438364 (E_RNA)
where:
Base-Base interactions energy: -1249.132
where: short stacking energy: -516.561
Base-Backbone interact. energy: -1.921
local terms energy: -531.385783
where:
bonds (distance) C4'-P energy: -93.104
bonds (distance) P-C4' energy: -86.287
flat angles C4'-P-C4' energy: -110.346
flat angles P-C4'-P energy: -80.043
tors. eta vs tors. theta energy: -161.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1706.296812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.296812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.296812 (E_RNA)
where:
Base-Base interactions energy: -1204.543
where: short stacking energy: -500.895
Base-Backbone interact. energy: -2.379
local terms energy: -499.374030
where:
bonds (distance) C4'-P energy: -88.166
bonds (distance) P-C4' energy: -89.146
flat angles C4'-P-C4' energy: -107.916
flat angles P-C4'-P energy: -76.732
tors. eta vs tors. theta energy: -137.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1621.611655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.611655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.611655 (E_RNA)
where:
Base-Base interactions energy: -1145.971
where: short stacking energy: -461.118
Base-Backbone interact. energy: 1.691
local terms energy: -477.331596
where:
bonds (distance) C4'-P energy: -82.279
bonds (distance) P-C4' energy: -83.343
flat angles C4'-P-C4' energy: -105.865
flat angles P-C4'-P energy: -68.713
tors. eta vs tors. theta energy: -137.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1580.455275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.455275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.455275 (E_RNA)
where:
Base-Base interactions energy: -1112.190
where: short stacking energy: -444.462
Base-Backbone interact. energy: -3.611
local terms energy: -464.654110
where:
bonds (distance) C4'-P energy: -85.942
bonds (distance) P-C4' energy: -71.534
flat angles C4'-P-C4' energy: -99.870
flat angles P-C4'-P energy: -71.535
tors. eta vs tors. theta energy: -135.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1520.498146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.498146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.498146 (E_RNA)
where:
Base-Base interactions energy: -1080.540
where: short stacking energy: -451.208
Base-Backbone interact. energy: -0.991
local terms energy: -438.967373
where:
bonds (distance) C4'-P energy: -75.937
bonds (distance) P-C4' energy: -83.804
flat angles C4'-P-C4' energy: -96.096
flat angles P-C4'-P energy: -55.451
tors. eta vs tors. theta energy: -127.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1109.990202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.990202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.990202 (E_RNA)
where:
Base-Base interactions energy: -736.016
where: short stacking energy: -313.080
Base-Backbone interact. energy: -1.758
local terms energy: -372.215723
where:
bonds (distance) C4'-P energy: -78.430
bonds (distance) P-C4' energy: -95.972
flat angles C4'-P-C4' energy: -78.125
flat angles P-C4'-P energy: -48.843
tors. eta vs tors. theta energy: -70.846
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: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -992.337752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.337752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.337752 (E_RNA)
where:
Base-Base interactions energy: -655.659
where: short stacking energy: -288.228
Base-Backbone interact. energy: -2.803
local terms energy: -333.876349
where:
bonds (distance) C4'-P energy: -71.870
bonds (distance) P-C4' energy: -72.616
flat angles C4'-P-C4' energy: -75.647
flat angles P-C4'-P energy: -61.816
tors. eta vs tors. theta energy: -51.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -872.422726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.422726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.422726 (E_RNA)
where:
Base-Base interactions energy: -556.891
where: short stacking energy: -252.512
Base-Backbone interact. energy: 4.441
local terms energy: -319.972601
where:
bonds (distance) C4'-P energy: -80.100
bonds (distance) P-C4' energy: -79.529
flat angles C4'-P-C4' energy: -85.266
flat angles P-C4'-P energy: -41.791
tors. eta vs tors. theta energy: -33.287
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: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1854.735967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.735967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.735967 (E_RNA)
where:
Base-Base interactions energy: -1302.519
where: short stacking energy: -560.263
Base-Backbone interact. energy: -2.702
local terms energy: -549.514797
where:
bonds (distance) C4'-P energy: -99.855
bonds (distance) P-C4' energy: -95.153
flat angles C4'-P-C4' energy: -116.205
flat angles P-C4'-P energy: -77.380
tors. eta vs tors. theta energy: -160.922
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: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1806.507739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.507739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.507739 (E_RNA)
where:
Base-Base interactions energy: -1270.494
where: short stacking energy: -534.048
Base-Backbone interact. energy: -2.119
local terms energy: -533.894088
where:
bonds (distance) C4'-P energy: -92.025
bonds (distance) P-C4' energy: -98.928
flat angles C4'-P-C4' energy: -109.451
flat angles P-C4'-P energy: -75.377
tors. eta vs tors. theta energy: -158.114
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: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1753.724119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.724119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.724119 (E_RNA)
where:
Base-Base interactions energy: -1226.660
where: short stacking energy: -507.109
Base-Backbone interact. energy: -1.368
local terms energy: -525.696294
where:
bonds (distance) C4'-P energy: -96.847
bonds (distance) P-C4' energy: -99.249
flat angles C4'-P-C4' energy: -104.935
flat angles P-C4'-P energy: -76.461
tors. eta vs tors. theta energy: -148.205
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: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1699.631861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.631861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.631861 (E_RNA)
where:
Base-Base interactions energy: -1191.240
where: short stacking energy: -500.890
Base-Backbone interact. energy: -1.497
local terms energy: -506.894860
where:
bonds (distance) C4'-P energy: -77.129
bonds (distance) P-C4' energy: -104.949
flat angles C4'-P-C4' energy: -100.445
flat angles P-C4'-P energy: -75.693
tors. eta vs tors. theta energy: -148.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1612.720662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.720662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.720662 (E_RNA)
where:
Base-Base interactions energy: -1126.341
where: short stacking energy: -449.035
Base-Backbone interact. energy: -0.658
local terms energy: -485.721134
where:
bonds (distance) C4'-P energy: -97.094
bonds (distance) P-C4' energy: -81.940
flat angles C4'-P-C4' energy: -106.497
flat angles P-C4'-P energy: -69.417
tors. eta vs tors. theta energy: -130.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1621.628012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.628012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.628012 (E_RNA)
where:
Base-Base interactions energy: -1141.311
where: short stacking energy: -457.036
Base-Backbone interact. energy: -1.765
local terms energy: -478.551987
where:
bonds (distance) C4'-P energy: -81.818
bonds (distance) P-C4' energy: -94.976
flat angles C4'-P-C4' energy: -107.151
flat angles P-C4'-P energy: -62.605
tors. eta vs tors. theta energy: -132.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1513.531179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.531179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.531179 (E_RNA)
where:
Base-Base interactions energy: -1052.509
where: short stacking energy: -438.330
Base-Backbone interact. energy: -1.971
local terms energy: -459.051377
where:
bonds (distance) C4'-P energy: -77.674
bonds (distance) P-C4' energy: -82.504
flat angles C4'-P-C4' energy: -99.665
flat angles P-C4'-P energy: -72.177
tors. eta vs tors. theta energy: -127.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1131.002153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.002153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.002153 (E_RNA)
where:
Base-Base interactions energy: -759.845
where: short stacking energy: -313.853
Base-Backbone interact. energy: -1.652
local terms energy: -369.505188
where:
bonds (distance) C4'-P energy: -80.975
bonds (distance) P-C4' energy: -79.653
flat angles C4'-P-C4' energy: -86.570
flat angles P-C4'-P energy: -52.907
tors. eta vs tors. theta energy: -69.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -879.591375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.591375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.591375 (E_RNA)
where:
Base-Base interactions energy: -542.589
where: short stacking energy: -243.555
Base-Backbone interact. energy: 1.170
local terms energy: -338.172785
where:
bonds (distance) C4'-P energy: -87.582
bonds (distance) P-C4' energy: -85.685
flat angles C4'-P-C4' energy: -83.089
flat angles P-C4'-P energy: -46.030
tors. eta vs tors. theta energy: -35.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -880.000002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.000002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.000002 (E_RNA)
where:
Base-Base interactions energy: -546.766
where: short stacking energy: -219.303
Base-Backbone interact. energy: 2.243
local terms energy: -335.477893
where:
bonds (distance) C4'-P energy: -87.632
bonds (distance) P-C4' energy: -75.706
flat angles C4'-P-C4' energy: -86.843
flat angles P-C4'-P energy: -55.714
tors. eta vs tors. theta energy: -29.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1850.374857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.374857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.374857 (E_RNA)
where:
Base-Base interactions energy: -1287.123
where: short stacking energy: -535.952
Base-Backbone interact. energy: -1.038
local terms energy: -562.214258
where:
bonds (distance) C4'-P energy: -105.689
bonds (distance) P-C4' energy: -96.461
flat angles C4'-P-C4' energy: -119.268
flat angles P-C4'-P energy: -79.331
tors. eta vs tors. theta energy: -161.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1811.211017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.211017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.211017 (E_RNA)
where:
Base-Base interactions energy: -1266.319
where: short stacking energy: -548.724
Base-Backbone interact. energy: -0.812
local terms energy: -544.080290
where:
bonds (distance) C4'-P energy: -100.231
bonds (distance) P-C4' energy: -100.847
flat angles C4'-P-C4' energy: -105.904
flat angles P-C4'-P energy: -79.183
tors. eta vs tors. theta energy: -157.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1757.060457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.060457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.060457 (E_RNA)
where:
Base-Base interactions energy: -1263.652
where: short stacking energy: -528.095
Base-Backbone interact. energy: -1.930
local terms energy: -491.479200
where:
bonds (distance) C4'-P energy: -73.163
bonds (distance) P-C4' energy: -78.469
flat angles C4'-P-C4' energy: -111.282
flat angles P-C4'-P energy: -84.264
tors. eta vs tors. theta energy: -144.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1686.965049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.965049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.965049 (E_RNA)
where:
Base-Base interactions energy: -1171.737
where: short stacking energy: -486.594
Base-Backbone interact. energy: -1.979
local terms energy: -513.249131
where:
bonds (distance) C4'-P energy: -96.769
bonds (distance) P-C4' energy: -89.397
flat angles C4'-P-C4' energy: -112.477
flat angles P-C4'-P energy: -77.351
tors. eta vs tors. theta energy: -137.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1629.829077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.829077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.829077 (E_RNA)
where:
Base-Base interactions energy: -1148.861
where: short stacking energy: -471.066
Base-Backbone interact. energy: -1.453
local terms energy: -479.514557
where:
bonds (distance) C4'-P energy: -98.227
bonds (distance) P-C4' energy: -86.682
flat angles C4'-P-C4' energy: -94.416
flat angles P-C4'-P energy: -68.179
tors. eta vs tors. theta energy: -132.010
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: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1589.582427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.582427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.582427 (E_RNA)
where:
Base-Base interactions energy: -1124.431
where: short stacking energy: -461.196
Base-Backbone interact. energy: -1.842
local terms energy: -463.308658
where:
bonds (distance) C4'-P energy: -81.880
bonds (distance) P-C4' energy: -84.159
flat angles C4'-P-C4' energy: -107.366
flat angles P-C4'-P energy: -65.539
tors. eta vs tors. theta energy: -124.364
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: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1520.399510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.399510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.399510 (E_RNA)
where:
Base-Base interactions energy: -1064.013
where: short stacking energy: -425.567
Base-Backbone interact. energy: 1.681
local terms energy: -458.067565
where:
bonds (distance) C4'-P energy: -76.521
bonds (distance) P-C4' energy: -94.122
flat angles C4'-P-C4' energy: -101.624
flat angles P-C4'-P energy: -61.740
tors. eta vs tors. theta energy: -124.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1152.173243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.173243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.173243 (E_RNA)
where:
Base-Base interactions energy: -781.711
where: short stacking energy: -314.297
Base-Backbone interact. energy: -2.262
local terms energy: -368.201076
where:
bonds (distance) C4'-P energy: -83.950
bonds (distance) P-C4' energy: -85.464
flat angles C4'-P-C4' energy: -90.054
flat angles P-C4'-P energy: -46.838
tors. eta vs tors. theta energy: -61.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -973.357970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.357970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.357970 (E_RNA)
where:
Base-Base interactions energy: -626.398
where: short stacking energy: -278.380
Base-Backbone interact. energy: -3.844
local terms energy: -343.115753
where:
bonds (distance) C4'-P energy: -83.271
bonds (distance) P-C4' energy: -69.271
flat angles C4'-P-C4' energy: -80.555
flat angles P-C4'-P energy: -52.769
tors. eta vs tors. theta energy: -57.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -912.883798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.883798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.883798 (E_RNA)
where:
Base-Base interactions energy: -594.358
where: short stacking energy: -272.792
Base-Backbone interact. energy: -0.515
local terms energy: -318.011115
where:
bonds (distance) C4'-P energy: -73.946
bonds (distance) P-C4' energy: -61.812
flat angles C4'-P-C4' energy: -73.229
flat angles P-C4'-P energy: -47.235
tors. eta vs tors. theta energy: -61.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1839.730874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.730874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.730874 (E_RNA)
where:
Base-Base interactions energy: -1295.404
where: short stacking energy: -538.865
Base-Backbone interact. energy: -3.891
local terms energy: -540.436436
where:
bonds (distance) C4'-P energy: -102.954
bonds (distance) P-C4' energy: -85.376
flat angles C4'-P-C4' energy: -122.480
flat angles P-C4'-P energy: -75.329
tors. eta vs tors. theta energy: -154.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1806.556763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.556763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.556763 (E_RNA)
where:
Base-Base interactions energy: -1269.952
where: short stacking energy: -538.489
Base-Backbone interact. energy: -1.028
local terms energy: -535.577271
where:
bonds (distance) C4'-P energy: -100.152
bonds (distance) P-C4' energy: -90.854
flat angles C4'-P-C4' energy: -108.842
flat angles P-C4'-P energy: -85.958
tors. eta vs tors. theta energy: -149.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1780.503447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.503447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.503447 (E_RNA)
where:
Base-Base interactions energy: -1258.839
where: short stacking energy: -545.400
Base-Backbone interact. energy: 0.805
local terms energy: -522.470111
where:
bonds (distance) C4'-P energy: -87.558
bonds (distance) P-C4' energy: -89.734
flat angles C4'-P-C4' energy: -111.788
flat angles P-C4'-P energy: -74.925
tors. eta vs tors. theta energy: -158.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1715.993509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.993509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.993509 (E_RNA)
where:
Base-Base interactions energy: -1211.627
where: short stacking energy: -507.768
Base-Backbone interact. energy: -5.587
local terms energy: -498.779485
where:
bonds (distance) C4'-P energy: -81.553
bonds (distance) P-C4' energy: -89.519
flat angles C4'-P-C4' energy: -104.668
flat angles P-C4'-P energy: -73.597
tors. eta vs tors. theta energy: -149.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1638.301771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.301771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.301771 (E_RNA)
where:
Base-Base interactions energy: -1139.450
where: short stacking energy: -473.647
Base-Backbone interact. energy: -1.469
local terms energy: -497.383228
where:
bonds (distance) C4'-P energy: -93.154
bonds (distance) P-C4' energy: -97.532
flat angles C4'-P-C4' energy: -100.441
flat angles P-C4'-P energy: -69.401
tors. eta vs tors. theta energy: -136.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1595.736297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.736297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.736297 (E_RNA)
where:
Base-Base interactions energy: -1135.413
where: short stacking energy: -454.968
Base-Backbone interact. energy: 1.955
local terms energy: -462.278560
where:
bonds (distance) C4'-P energy: -76.287
bonds (distance) P-C4' energy: -89.126
flat angles C4'-P-C4' energy: -99.484
flat angles P-C4'-P energy: -74.784
tors. eta vs tors. theta energy: -122.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1480.070461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.070461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.070461 (E_RNA)
where:
Base-Base interactions energy: -1028.366
where: short stacking energy: -415.838
Base-Backbone interact. energy: 0.184
local terms energy: -451.888291
where:
bonds (distance) C4'-P energy: -81.012
bonds (distance) P-C4' energy: -88.727
flat angles C4'-P-C4' energy: -94.710
flat angles P-C4'-P energy: -58.933
tors. eta vs tors. theta energy: -128.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1176.509881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.509881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.509881 (E_RNA)
where:
Base-Base interactions energy: -812.746
where: short stacking energy: -348.374
Base-Backbone interact. energy: 2.237
local terms energy: -366.000694
where:
bonds (distance) C4'-P energy: -79.844
bonds (distance) P-C4' energy: -81.038
flat angles C4'-P-C4' energy: -88.984
flat angles P-C4'-P energy: -36.867
tors. eta vs tors. theta energy: -79.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -961.082625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.082625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.082625 (E_RNA)
where:
Base-Base interactions energy: -630.235
where: short stacking energy: -292.162
Base-Backbone interact. energy: 2.177
local terms energy: -333.025292
where:
bonds (distance) C4'-P energy: -68.748
bonds (distance) P-C4' energy: -74.554
flat angles C4'-P-C4' energy: -82.285
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: -63.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -821.051722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.051722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.051722 (E_RNA)
where:
Base-Base interactions energy: -514.483
where: short stacking energy: -208.732
Base-Backbone interact. energy: -1.438
local terms energy: -305.130215
where:
bonds (distance) C4'-P energy: -79.131
bonds (distance) P-C4' energy: -86.716
flat angles C4'-P-C4' energy: -76.227
flat angles P-C4'-P energy: -39.769
tors. eta vs tors. theta energy: -23.287
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: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1836.066706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.066706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.066706 (E_RNA)
where:
Base-Base interactions energy: -1281.576
where: short stacking energy: -534.658
Base-Backbone interact. energy: -0.757
local terms energy: -553.733074
where:
bonds (distance) C4'-P energy: -104.584
bonds (distance) P-C4' energy: -83.874
flat angles C4'-P-C4' energy: -119.944
flat angles P-C4'-P energy: -87.593
tors. eta vs tors. theta energy: -157.737
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: 370
Temperature: 0.950000
Total energy: -1795.140082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.140082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.140082 (E_RNA)
where:
Base-Base interactions energy: -1272.761
where: short stacking energy: -520.366
Base-Backbone interact. energy: -1.653
local terms energy: -520.726432
where:
bonds (distance) C4'-P energy: -101.165
bonds (distance) P-C4' energy: -84.960
flat angles C4'-P-C4' energy: -109.416
flat angles P-C4'-P energy: -75.816
tors. eta vs tors. theta energy: -149.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1781.011194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.011194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.011194 (E_RNA)
where:
Base-Base interactions energy: -1257.412
where: short stacking energy: -525.743
Base-Backbone interact. energy: -0.674
local terms energy: -522.925399
where:
bonds (distance) C4'-P energy: -84.210
bonds (distance) P-C4' energy: -94.023
flat angles C4'-P-C4' energy: -116.576
flat angles P-C4'-P energy: -68.801
tors. eta vs tors. theta energy: -159.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1682.286659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.286659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.286659 (E_RNA)
where:
Base-Base interactions energy: -1172.117
where: short stacking energy: -514.089
Base-Backbone interact. energy: -1.318
local terms energy: -508.850946
where:
bonds (distance) C4'-P energy: -89.817
bonds (distance) P-C4' energy: -93.809
flat angles C4'-P-C4' energy: -101.686
flat angles P-C4'-P energy: -68.809
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: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1611.968383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.968383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.968383 (E_RNA)
where:
Base-Base interactions energy: -1140.888
where: short stacking energy: -444.335
Base-Backbone interact. energy: -2.132
local terms energy: -468.948332
where:
bonds (distance) C4'-P energy: -80.900
bonds (distance) P-C4' energy: -94.356
flat angles C4'-P-C4' energy: -101.062
flat angles P-C4'-P energy: -74.759
tors. eta vs tors. theta energy: -117.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1602.892959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.892959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.892959 (E_RNA)
where:
Base-Base interactions energy: -1138.734
where: short stacking energy: -459.243
Base-Backbone interact. energy: 0.286
local terms energy: -464.445157
where:
bonds (distance) C4'-P energy: -86.427
bonds (distance) P-C4' energy: -93.685
flat angles C4'-P-C4' energy: -100.758
flat angles P-C4'-P energy: -57.542
tors. eta vs tors. theta energy: -126.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1512.542870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.542870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.542870 (E_RNA)
where:
Base-Base interactions energy: -1049.506
where: short stacking energy: -434.908
Base-Backbone interact. energy: -0.193
local terms energy: -462.844413
where:
bonds (distance) C4'-P energy: -89.983
bonds (distance) P-C4' energy: -84.677
flat angles C4'-P-C4' energy: -101.115
flat angles P-C4'-P energy: -69.316
tors. eta vs tors. theta energy: -117.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1177.375989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.375989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.375989 (E_RNA)
where:
Base-Base interactions energy: -789.439
where: short stacking energy: -356.298
Base-Backbone interact. energy: -1.756
local terms energy: -386.180983
where:
bonds (distance) C4'-P energy: -74.958
bonds (distance) P-C4' energy: -77.828
flat angles C4'-P-C4' energy: -90.279
flat angles P-C4'-P energy: -57.310
tors. eta vs tors. theta energy: -85.806
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: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -865.058945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.058945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.058945 (E_RNA)
where:
Base-Base interactions energy: -555.529
where: short stacking energy: -248.956
Base-Backbone interact. energy: 1.861
local terms energy: -311.391020
where:
bonds (distance) C4'-P energy: -78.380
bonds (distance) P-C4' energy: -70.798
flat angles C4'-P-C4' energy: -86.195
flat angles P-C4'-P energy: -39.301
tors. eta vs tors. theta energy: -36.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -953.243990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.243990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.243990 (E_RNA)
where:
Base-Base interactions energy: -612.787
where: short stacking energy: -265.273
Base-Backbone interact. energy: 0.661
local terms energy: -341.117630
where:
bonds (distance) C4'-P energy: -62.942
bonds (distance) P-C4' energy: -87.145
flat angles C4'-P-C4' energy: -85.493
flat angles P-C4'-P energy: -53.098
tors. eta vs tors. theta energy: -52.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1823.297055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.297055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.297055 (E_RNA)
where:
Base-Base interactions energy: -1282.836
where: short stacking energy: -544.876
Base-Backbone interact. energy: -2.740
local terms energy: -537.720673
where:
bonds (distance) C4'-P energy: -101.966
bonds (distance) P-C4' energy: -98.592
flat angles C4'-P-C4' energy: -111.128
flat angles P-C4'-P energy: -82.392
tors. eta vs tors. theta energy: -143.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1815.159376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.159376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.159376 (E_RNA)
where:
Base-Base interactions energy: -1280.754
where: short stacking energy: -555.512
Base-Backbone interact. energy: -1.475
local terms energy: -532.929839
where:
bonds (distance) C4'-P energy: -89.222
bonds (distance) P-C4' energy: -84.705
flat angles C4'-P-C4' energy: -112.908
flat angles P-C4'-P energy: -81.999
tors. eta vs tors. theta energy: -164.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1770.049039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.049039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.049039 (E_RNA)
where:
Base-Base interactions energy: -1242.345
where: short stacking energy: -508.837
Base-Backbone interact. energy: -1.197
local terms energy: -526.507853
where:
bonds (distance) C4'-P energy: -94.649
bonds (distance) P-C4' energy: -102.185
flat angles C4'-P-C4' energy: -103.070
flat angles P-C4'-P energy: -74.464
tors. eta vs tors. theta energy: -152.140
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: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1688.127854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.127854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.127854 (E_RNA)
where:
Base-Base interactions energy: -1198.043
where: short stacking energy: -493.029
Base-Backbone interact. energy: -1.005
local terms energy: -489.079576
where:
bonds (distance) C4'-P energy: -78.234
bonds (distance) P-C4' energy: -92.363
flat angles C4'-P-C4' energy: -106.513
flat angles P-C4'-P energy: -70.524
tors. eta vs tors. theta energy: -141.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1651.642566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.642566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.642566 (E_RNA)
where:
Base-Base interactions energy: -1152.029
where: short stacking energy: -476.655
Base-Backbone interact. energy: -0.832
local terms energy: -498.781822
where:
bonds (distance) C4'-P energy: -90.873
bonds (distance) P-C4' energy: -99.242
flat angles C4'-P-C4' energy: -112.290
flat angles P-C4'-P energy: -64.675
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: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1576.211543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.211543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.211543 (E_RNA)
where:
Base-Base interactions energy: -1112.275
where: short stacking energy: -458.081
Base-Backbone interact. energy: -2.340
local terms energy: -461.596758
where:
bonds (distance) C4'-P energy: -91.453
bonds (distance) P-C4' energy: -81.863
flat angles C4'-P-C4' energy: -89.915
flat angles P-C4'-P energy: -71.007
tors. eta vs tors. theta energy: -127.358
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: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1509.192262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.192262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.192262 (E_RNA)
where:
Base-Base interactions energy: -1034.929
where: short stacking energy: -427.214
Base-Backbone interact. energy: -1.725
local terms energy: -472.539208
where:
bonds (distance) C4'-P energy: -81.169
bonds (distance) P-C4' energy: -89.219
flat angles C4'-P-C4' energy: -100.348
flat angles P-C4'-P energy: -77.032
tors. eta vs tors. theta energy: -124.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1205.805280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.805280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.805280 (E_RNA)
where:
Base-Base interactions energy: -816.623
where: short stacking energy: -370.429
Base-Backbone interact. energy: -3.185
local terms energy: -385.997551
where:
bonds (distance) C4'-P energy: -83.712
bonds (distance) P-C4' energy: -71.977
flat angles C4'-P-C4' energy: -91.539
flat angles P-C4'-P energy: -50.559
tors. eta vs tors. theta energy: -88.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -915.716915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.716915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.716915 (E_RNA)
where:
Base-Base interactions energy: -580.627
where: short stacking energy: -251.679
Base-Backbone interact. energy: -0.921
local terms energy: -334.169287
where:
bonds (distance) C4'-P energy: -63.779
bonds (distance) P-C4' energy: -80.018
flat angles C4'-P-C4' energy: -88.376
flat angles P-C4'-P energy: -55.653
tors. eta vs tors. theta energy: -46.343
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: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -993.950664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.950664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.950664 (E_RNA)
where:
Base-Base interactions energy: -652.736
where: short stacking energy: -306.394
Base-Backbone interact. energy: -0.897
local terms energy: -340.317756
where:
bonds (distance) C4'-P energy: -85.796
bonds (distance) P-C4' energy: -74.048
flat angles C4'-P-C4' energy: -82.561
flat angles P-C4'-P energy: -44.118
tors. eta vs tors. theta energy: -53.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1829.091180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.091180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.091180 (E_RNA)
where:
Base-Base interactions energy: -1277.209
where: short stacking energy: -540.723
Base-Backbone interact. energy: -1.883
local terms energy: -549.999027
where:
bonds (distance) C4'-P energy: -97.914
bonds (distance) P-C4' energy: -93.275
flat angles C4'-P-C4' energy: -122.802
flat angles P-C4'-P energy: -81.843
tors. eta vs tors. theta energy: -154.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1823.108686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.108686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.108686 (E_RNA)
where:
Base-Base interactions energy: -1288.585
where: short stacking energy: -524.753
Base-Backbone interact. energy: -0.936
local terms energy: -533.587579
where:
bonds (distance) C4'-P energy: -91.656
bonds (distance) P-C4' energy: -96.606
flat angles C4'-P-C4' energy: -105.750
flat angles P-C4'-P energy: -78.354
tors. eta vs tors. theta energy: -161.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1785.740124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.740124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.740124 (E_RNA)
where:
Base-Base interactions energy: -1273.512
where: short stacking energy: -532.654
Base-Backbone interact. energy: -2.511
local terms energy: -509.716428
where:
bonds (distance) C4'-P energy: -96.057
bonds (distance) P-C4' energy: -73.099
flat angles C4'-P-C4' energy: -107.228
flat angles P-C4'-P energy: -80.437
tors. eta vs tors. theta energy: -152.896
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: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1687.541743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.541743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.541743 (E_RNA)
where:
Base-Base interactions energy: -1172.807
where: short stacking energy: -503.263
Base-Backbone interact. energy: -0.079
local terms energy: -514.656545
where:
bonds (distance) C4'-P energy: -93.828
bonds (distance) P-C4' energy: -102.561
flat angles C4'-P-C4' energy: -109.045
flat angles P-C4'-P energy: -72.838
tors. eta vs tors. theta energy: -136.384
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: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1642.869786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.869786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.869786 (E_RNA)
where:
Base-Base interactions energy: -1182.544
where: short stacking energy: -513.194
Base-Backbone interact. energy: -2.051
local terms energy: -458.274736
where:
bonds (distance) C4'-P energy: -93.988
bonds (distance) P-C4' energy: -75.418
flat angles C4'-P-C4' energy: -94.136
flat angles P-C4'-P energy: -46.661
tors. eta vs tors. theta energy: -148.073
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: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1583.563450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.563450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.563450 (E_RNA)
where:
Base-Base interactions energy: -1110.472
where: short stacking energy: -448.910
Base-Backbone interact. energy: -0.029
local terms energy: -473.063115
where:
bonds (distance) C4'-P energy: -84.145
bonds (distance) P-C4' energy: -87.906
flat angles C4'-P-C4' energy: -102.868
flat angles P-C4'-P energy: -65.394
tors. eta vs tors. theta energy: -132.750
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: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1472.459962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.459962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.459962 (E_RNA)
where:
Base-Base interactions energy: -1066.890
where: short stacking energy: -440.602
Base-Backbone interact. energy: 4.002
local terms energy: -409.571876
where:
bonds (distance) C4'-P energy: -69.883
bonds (distance) P-C4' energy: -73.155
flat angles C4'-P-C4' energy: -87.204
flat angles P-C4'-P energy: -61.928
tors. eta vs tors. theta energy: -117.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1187.212541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.212541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.212541 (E_RNA)
where:
Base-Base interactions energy: -804.218
where: short stacking energy: -361.228
Base-Backbone interact. energy: 4.564
local terms energy: -387.558014
where:
bonds (distance) C4'-P energy: -81.170
bonds (distance) P-C4' energy: -77.628
flat angles C4'-P-C4' energy: -80.822
flat angles P-C4'-P energy: -57.785
tors. eta vs tors. theta energy: -90.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -971.883344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.883344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.883344 (E_RNA)
where:
Base-Base interactions energy: -592.447
where: short stacking energy: -288.471
Base-Backbone interact. energy: -1.943
local terms energy: -377.493774
where:
bonds (distance) C4'-P energy: -73.318
bonds (distance) P-C4' energy: -93.698
flat angles C4'-P-C4' energy: -87.302
flat angles P-C4'-P energy: -41.695
tors. eta vs tors. theta energy: -81.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -865.529666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.529666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.529666 (E_RNA)
where:
Base-Base interactions energy: -564.548
where: short stacking energy: -240.587
Base-Backbone interact. energy: -2.979
local terms energy: -298.003397
where:
bonds (distance) C4'-P energy: -80.279
bonds (distance) P-C4' energy: -80.636
flat angles C4'-P-C4' energy: -60.247
flat angles P-C4'-P energy: -33.862
tors. eta vs tors. theta energy: -42.979
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: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1846.258842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.258842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.258842 (E_RNA)
where:
Base-Base interactions energy: -1287.452
where: short stacking energy: -521.994
Base-Backbone interact. energy: -1.363
local terms energy: -557.444049
where:
bonds (distance) C4'-P energy: -101.189
bonds (distance) P-C4' energy: -106.711
flat angles C4'-P-C4' energy: -119.405
flat angles P-C4'-P energy: -81.157
tors. eta vs tors. theta energy: -148.982
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: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1815.446266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.446266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.446266 (E_RNA)
where:
Base-Base interactions energy: -1301.598
where: short stacking energy: -527.238
Base-Backbone interact. energy: -0.962
local terms energy: -512.886792
where:
bonds (distance) C4'-P energy: -85.796
bonds (distance) P-C4' energy: -83.300
flat angles C4'-P-C4' energy: -110.035
flat angles P-C4'-P energy: -78.123
tors. eta vs tors. theta energy: -155.633
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: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1760.246626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.246626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.246626 (E_RNA)
where:
Base-Base interactions energy: -1239.456
where: short stacking energy: -505.760
Base-Backbone interact. energy: 1.414
local terms energy: -522.204697
where:
bonds (distance) C4'-P energy: -92.217
bonds (distance) P-C4' energy: -99.913
flat angles C4'-P-C4' energy: -106.918
flat angles P-C4'-P energy: -75.186
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: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1743.659639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.659639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.659639 (E_RNA)
where:
Base-Base interactions energy: -1248.680
where: short stacking energy: -508.033
Base-Backbone interact. energy: -3.303
local terms energy: -491.677117
where:
bonds (distance) C4'-P energy: -72.511
bonds (distance) P-C4' energy: -94.584
flat angles C4'-P-C4' energy: -103.996
flat angles P-C4'-P energy: -74.526
tors. eta vs tors. theta energy: -146.061
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: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1625.190518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.190518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.190518 (E_RNA)
where:
Base-Base interactions energy: -1145.940
where: short stacking energy: -474.610
Base-Backbone interact. energy: -1.023
local terms energy: -478.228430
where:
bonds (distance) C4'-P energy: -84.478
bonds (distance) P-C4' energy: -87.649
flat angles C4'-P-C4' energy: -110.618
flat angles P-C4'-P energy: -64.705
tors. eta vs tors. theta energy: -130.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1582.451629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.451629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.451629 (E_RNA)
where:
Base-Base interactions energy: -1148.147
where: short stacking energy: -468.629
Base-Backbone interact. energy: -0.973
local terms energy: -433.332178
where:
bonds (distance) C4'-P energy: -73.145
bonds (distance) P-C4' energy: -77.788
flat angles C4'-P-C4' energy: -94.504
flat angles P-C4'-P energy: -62.133
tors. eta vs tors. theta energy: -125.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1462.919788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.919788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.919788 (E_RNA)
where:
Base-Base interactions energy: -1039.634
where: short stacking energy: -443.011
Base-Backbone interact. energy: 0.830
local terms energy: -424.115292
where:
bonds (distance) C4'-P energy: -90.391
bonds (distance) P-C4' energy: -71.493
flat angles C4'-P-C4' energy: -89.025
flat angles P-C4'-P energy: -45.848
tors. eta vs tors. theta energy: -127.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1268.336360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.336360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.336360 (E_RNA)
where:
Base-Base interactions energy: -870.445
where: short stacking energy: -365.113
Base-Backbone interact. energy: 0.118
local terms energy: -398.009192
where:
bonds (distance) C4'-P energy: -66.822
bonds (distance) P-C4' energy: -75.722
flat angles C4'-P-C4' energy: -87.520
flat angles P-C4'-P energy: -69.156
tors. eta vs tors. theta energy: -98.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -931.770767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.770767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.770767 (E_RNA)
where:
Base-Base interactions energy: -578.183
where: short stacking energy: -274.709
Base-Backbone interact. energy: 0.535
local terms energy: -354.122856
where:
bonds (distance) C4'-P energy: -86.364
bonds (distance) P-C4' energy: -78.314
flat angles C4'-P-C4' energy: -78.151
flat angles P-C4'-P energy: -63.710
tors. eta vs tors. theta energy: -47.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -860.466974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.466974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.466974 (E_RNA)
where:
Base-Base interactions energy: -544.866
where: short stacking energy: -239.399
Base-Backbone interact. energy: -0.352
local terms energy: -315.249274
where:
bonds (distance) C4'-P energy: -73.237
bonds (distance) P-C4' energy: -72.472
flat angles C4'-P-C4' energy: -64.964
flat angles P-C4'-P energy: -53.223
tors. eta vs tors. theta energy: -51.352
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: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1821.382073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.382073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.382073 (E_RNA)
where:
Base-Base interactions energy: -1265.745
where: short stacking energy: -522.846
Base-Backbone interact. energy: -1.063
local terms energy: -554.574344
where:
bonds (distance) C4'-P energy: -94.475
bonds (distance) P-C4' energy: -110.189
flat angles C4'-P-C4' energy: -111.739
flat angles P-C4'-P energy: -80.366
tors. eta vs tors. theta energy: -157.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1807.718152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.718152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.718152 (E_RNA)
where:
Base-Base interactions energy: -1282.732
where: short stacking energy: -533.246
Base-Backbone interact. energy: -1.723
local terms energy: -523.263272
where:
bonds (distance) C4'-P energy: -94.347
bonds (distance) P-C4' energy: -90.437
flat angles C4'-P-C4' energy: -105.931
flat angles P-C4'-P energy: -76.019
tors. eta vs tors. theta energy: -156.530
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: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1743.512366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.512366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.512366 (E_RNA)
where:
Base-Base interactions energy: -1236.437
where: short stacking energy: -513.041
Base-Backbone interact. energy: 1.289
local terms energy: -508.364747
where:
bonds (distance) C4'-P energy: -92.822
bonds (distance) P-C4' energy: -92.317
flat angles C4'-P-C4' energy: -103.402
flat angles P-C4'-P energy: -72.526
tors. eta vs tors. theta energy: -147.297
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: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1710.416177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.416177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.416177 (E_RNA)
where:
Base-Base interactions energy: -1223.020
where: short stacking energy: -502.086
Base-Backbone interact. energy: 0.711
local terms energy: -488.107560
where:
bonds (distance) C4'-P energy: -84.437
bonds (distance) P-C4' energy: -79.673
flat angles C4'-P-C4' energy: -104.727
flat angles P-C4'-P energy: -75.377
tors. eta vs tors. theta energy: -143.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1648.365982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.365982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.365982 (E_RNA)
where:
Base-Base interactions energy: -1145.267
where: short stacking energy: -463.701
Base-Backbone interact. energy: -1.005
local terms energy: -502.094206
where:
bonds (distance) C4'-P energy: -93.904
bonds (distance) P-C4' energy: -95.602
flat angles C4'-P-C4' energy: -97.920
flat angles P-C4'-P energy: -78.158
tors. eta vs tors. theta energy: -136.511
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: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1549.414861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.414861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.414861 (E_RNA)
where:
Base-Base interactions energy: -1115.739
where: short stacking energy: -457.079
Base-Backbone interact. energy: -0.821
local terms energy: -432.854722
where:
bonds (distance) C4'-P energy: -73.144
bonds (distance) P-C4' energy: -86.718
flat angles C4'-P-C4' energy: -98.333
flat angles P-C4'-P energy: -54.983
tors. eta vs tors. theta energy: -119.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1500.415469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.415469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.415469 (E_RNA)
where:
Base-Base interactions energy: -1064.115
where: short stacking energy: -432.610
Base-Backbone interact. energy: 2.845
local terms energy: -439.145755
where:
bonds (distance) C4'-P energy: -70.241
bonds (distance) P-C4' energy: -89.538
flat angles C4'-P-C4' energy: -102.807
flat angles P-C4'-P energy: -61.798
tors. eta vs tors. theta energy: -114.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1296.476745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.476745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.476745 (E_RNA)
where:
Base-Base interactions energy: -872.202
where: short stacking energy: -370.672
Base-Backbone interact. energy: -2.108
local terms energy: -422.166683
where:
bonds (distance) C4'-P energy: -81.933
bonds (distance) P-C4' energy: -88.393
flat angles C4'-P-C4' energy: -100.643
flat angles P-C4'-P energy: -45.641
tors. eta vs tors. theta energy: -105.557
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: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -930.854661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.854661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.854661 (E_RNA)
where:
Base-Base interactions energy: -586.129
where: short stacking energy: -252.947
Base-Backbone interact. energy: 0.993
local terms energy: -345.718605
where:
bonds (distance) C4'-P energy: -82.776
bonds (distance) P-C4' energy: -85.477
flat angles C4'-P-C4' energy: -77.554
flat angles P-C4'-P energy: -63.085
tors. eta vs tors. theta energy: -36.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -819.721100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.721100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.721100 (E_RNA)
where:
Base-Base interactions energy: -509.680
where: short stacking energy: -226.153
Base-Backbone interact. energy: -1.223
local terms energy: -308.818535
where:
bonds (distance) C4'-P energy: -85.416
bonds (distance) P-C4' energy: -68.028
flat angles C4'-P-C4' energy: -87.997
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -22.203
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: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1849.721811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.721811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.721811 (E_RNA)
where:
Base-Base interactions energy: -1298.511
where: short stacking energy: -543.742
Base-Backbone interact. energy: -2.992
local terms energy: -548.218794
where:
bonds (distance) C4'-P energy: -100.385
bonds (distance) P-C4' energy: -99.898
flat angles C4'-P-C4' energy: -113.322
flat angles P-C4'-P energy: -80.167
tors. eta vs tors. theta energy: -154.447
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: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1810.478351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.478351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.478351 (E_RNA)
where:
Base-Base interactions energy: -1287.890
where: short stacking energy: -535.950
Base-Backbone interact. energy: -0.375
local terms energy: -522.213902
where:
bonds (distance) C4'-P energy: -91.358
bonds (distance) P-C4' energy: -94.085
flat angles C4'-P-C4' energy: -94.995
flat angles P-C4'-P energy: -78.442
tors. eta vs tors. theta energy: -163.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1742.318937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.318937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.318937 (E_RNA)
where:
Base-Base interactions energy: -1245.291
where: short stacking energy: -516.835
Base-Backbone interact. energy: 0.262
local terms energy: -497.289799
where:
bonds (distance) C4'-P energy: -85.827
bonds (distance) P-C4' energy: -87.978
flat angles C4'-P-C4' energy: -109.565
flat angles P-C4'-P energy: -68.450
tors. eta vs tors. theta energy: -145.470
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: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1698.110296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.110296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.110296 (E_RNA)
where:
Base-Base interactions energy: -1196.861
where: short stacking energy: -495.512
Base-Backbone interact. energy: -3.030
local terms energy: -498.219395
where:
bonds (distance) C4'-P energy: -84.700
bonds (distance) P-C4' energy: -90.552
flat angles C4'-P-C4' energy: -106.885
flat angles P-C4'-P energy: -75.492
tors. eta vs tors. theta energy: -140.590
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: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1642.680739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.680739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.680739 (E_RNA)
where:
Base-Base interactions energy: -1160.503
where: short stacking energy: -490.324
Base-Backbone interact. energy: -1.220
local terms energy: -480.957818
where:
bonds (distance) C4'-P energy: -91.588
bonds (distance) P-C4' energy: -87.988
flat angles C4'-P-C4' energy: -103.146
flat angles P-C4'-P energy: -55.304
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: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1561.466873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.466873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.466873 (E_RNA)
where:
Base-Base interactions energy: -1108.961
where: short stacking energy: -467.927
Base-Backbone interact. energy: -0.570
local terms energy: -451.935189
where:
bonds (distance) C4'-P energy: -69.499
bonds (distance) P-C4' energy: -84.516
flat angles C4'-P-C4' energy: -106.565
flat angles P-C4'-P energy: -56.315
tors. eta vs tors. theta energy: -135.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1501.347372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.347372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.347372 (E_RNA)
where:
Base-Base interactions energy: -1073.865
where: short stacking energy: -439.045
Base-Backbone interact. energy: -0.551
local terms energy: -426.931757
where:
bonds (distance) C4'-P energy: -72.865
bonds (distance) P-C4' energy: -88.986
flat angles C4'-P-C4' energy: -91.761
flat angles P-C4'-P energy: -56.592
tors. eta vs tors. theta energy: -116.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1277.928226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.928226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.928226 (E_RNA)
where:
Base-Base interactions energy: -866.905
where: short stacking energy: -367.482
Base-Backbone interact. energy: -1.364
local terms energy: -409.659706
where:
bonds (distance) C4'-P energy: -85.203
bonds (distance) P-C4' energy: -79.051
flat angles C4'-P-C4' energy: -98.030
flat angles P-C4'-P energy: -47.923
tors. eta vs tors. theta energy: -99.453
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: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -922.021173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.021173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.021173 (E_RNA)
where:
Base-Base interactions energy: -604.907
where: short stacking energy: -267.216
Base-Backbone interact. energy: 1.470
local terms energy: -318.583328
where:
bonds (distance) C4'-P energy: -71.130
bonds (distance) P-C4' energy: -76.207
flat angles C4'-P-C4' energy: -79.871
flat angles P-C4'-P energy: -50.018
tors. eta vs tors. theta energy: -41.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -872.638265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.638265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.638265 (E_RNA)
where:
Base-Base interactions energy: -548.037
where: short stacking energy: -261.177
Base-Backbone interact. energy: -2.965
local terms energy: -321.635855
where:
bonds (distance) C4'-P energy: -67.646
bonds (distance) P-C4' energy: -74.026
flat angles C4'-P-C4' energy: -71.910
flat angles P-C4'-P energy: -56.001
tors. eta vs tors. theta energy: -52.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1872.284118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.284118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.284118 (E_RNA)
where:
Base-Base interactions energy: -1304.160
where: short stacking energy: -537.885
Base-Backbone interact. energy: -1.608
local terms energy: -566.515977
where:
bonds (distance) C4'-P energy: -100.927
bonds (distance) P-C4' energy: -97.164
flat angles C4'-P-C4' energy: -120.512
flat angles P-C4'-P energy: -89.966
tors. eta vs tors. theta energy: -157.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1794.186383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.186383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.186383 (E_RNA)
where:
Base-Base interactions energy: -1276.074
where: short stacking energy: -556.435
Base-Backbone interact. energy: -0.419
local terms energy: -517.692810
where:
bonds (distance) C4'-P energy: -92.328
bonds (distance) P-C4' energy: -80.966
flat angles C4'-P-C4' energy: -112.269
flat angles P-C4'-P energy: -71.257
tors. eta vs tors. theta energy: -160.872
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: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1760.711479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.711479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.711479 (E_RNA)
where:
Base-Base interactions energy: -1242.167
where: short stacking energy: -513.143
Base-Backbone interact. energy: -0.795
local terms energy: -517.749781
where:
bonds (distance) C4'-P energy: -87.321
bonds (distance) P-C4' energy: -89.860
flat angles C4'-P-C4' energy: -108.634
flat angles P-C4'-P energy: -74.961
tors. eta vs tors. theta energy: -156.974
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: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1664.009014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.009014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.009014 (E_RNA)
where:
Base-Base interactions energy: -1163.288
where: short stacking energy: -466.853
Base-Backbone interact. energy: -4.272
local terms energy: -496.449357
where:
bonds (distance) C4'-P energy: -86.422
bonds (distance) P-C4' energy: -104.201
flat angles C4'-P-C4' energy: -102.984
flat angles P-C4'-P energy: -75.702
tors. eta vs tors. theta energy: -127.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1611.306659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.306659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.306659 (E_RNA)
where:
Base-Base interactions energy: -1108.126
where: short stacking energy: -466.860
Base-Backbone interact. energy: -1.343
local terms energy: -501.838078
where:
bonds (distance) C4'-P energy: -90.904
bonds (distance) P-C4' energy: -89.185
flat angles C4'-P-C4' energy: -105.186
flat angles P-C4'-P energy: -79.244
tors. eta vs tors. theta energy: -137.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1619.723648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.723648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.723648 (E_RNA)
where:
Base-Base interactions energy: -1137.549
where: short stacking energy: -468.267
Base-Backbone interact. energy: -1.703
local terms energy: -480.472071
where:
bonds (distance) C4'-P energy: -83.344
bonds (distance) P-C4' energy: -89.170
flat angles C4'-P-C4' energy: -104.579
flat angles P-C4'-P energy: -74.200
tors. eta vs tors. theta energy: -129.179
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: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1454.602315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.602315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.602315 (E_RNA)
where:
Base-Base interactions energy: -1039.495
where: short stacking energy: -423.237
Base-Backbone interact. energy: -2.872
local terms energy: -412.235479
where:
bonds (distance) C4'-P energy: -75.004
bonds (distance) P-C4' energy: -72.396
flat angles C4'-P-C4' energy: -96.197
flat angles P-C4'-P energy: -62.320
tors. eta vs tors. theta energy: -106.318
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: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1302.332740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.332740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.332740 (E_RNA)
where:
Base-Base interactions energy: -899.000
where: short stacking energy: -368.312
Base-Backbone interact. energy: -1.242
local terms energy: -402.091229
where:
bonds (distance) C4'-P energy: -78.771
bonds (distance) P-C4' energy: -98.429
flat angles C4'-P-C4' energy: -76.601
flat angles P-C4'-P energy: -50.588
tors. eta vs tors. theta energy: -97.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -951.569951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.569951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.569951 (E_RNA)
where:
Base-Base interactions energy: -611.414
where: short stacking energy: -272.557
Base-Backbone interact. energy: -1.483
local terms energy: -338.672008
where:
bonds (distance) C4'-P energy: -75.685
bonds (distance) P-C4' energy: -78.530
flat angles C4'-P-C4' energy: -80.617
flat angles P-C4'-P energy: -51.761
tors. eta vs tors. theta energy: -52.079
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: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -846.255699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.255699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.255699 (E_RNA)
where:
Base-Base interactions energy: -530.456
where: short stacking energy: -233.862
Base-Backbone interact. energy: 8.023
local terms energy: -323.822671
where:
bonds (distance) C4'-P energy: -71.642
bonds (distance) P-C4' energy: -83.907
flat angles C4'-P-C4' energy: -86.603
flat angles P-C4'-P energy: -47.561
tors. eta vs tors. theta energy: -34.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1852.747616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.747616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.747616 (E_RNA)
where:
Base-Base interactions energy: -1314.232
where: short stacking energy: -545.432
Base-Backbone interact. energy: -1.070
local terms energy: -537.445561
where:
bonds (distance) C4'-P energy: -90.903
bonds (distance) P-C4' energy: -98.425
flat angles C4'-P-C4' energy: -112.610
flat angles P-C4'-P energy: -77.491
tors. eta vs tors. theta energy: -158.016
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: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1816.461610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.461610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.461610 (E_RNA)
where:
Base-Base interactions energy: -1260.458
where: short stacking energy: -534.816
Base-Backbone interact. energy: -2.081
local terms energy: -553.923305
where:
bonds (distance) C4'-P energy: -92.393
bonds (distance) P-C4' energy: -101.855
flat angles C4'-P-C4' energy: -116.187
flat angles P-C4'-P energy: -83.186
tors. eta vs tors. theta energy: -160.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1784.444838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.444838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.444838 (E_RNA)
where:
Base-Base interactions energy: -1264.140
where: short stacking energy: -536.321
Base-Backbone interact. energy: -1.986
local terms energy: -518.318426
where:
bonds (distance) C4'-P energy: -90.494
bonds (distance) P-C4' energy: -96.648
flat angles C4'-P-C4' energy: -115.141
flat angles P-C4'-P energy: -62.845
tors. eta vs tors. theta energy: -153.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1673.786965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.786965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.786965 (E_RNA)
where:
Base-Base interactions energy: -1191.548
where: short stacking energy: -502.482
Base-Backbone interact. energy: -1.286
local terms energy: -480.953032
where:
bonds (distance) C4'-P energy: -80.871
bonds (distance) P-C4' energy: -99.146
flat angles C4'-P-C4' energy: -99.290
flat angles P-C4'-P energy: -60.899
tors. eta vs tors. theta energy: -140.746
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: 377
Temperature: 1.100000
Total energy: -1650.490542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.490542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.490542 (E_RNA)
where:
Base-Base interactions energy: -1153.241
where: short stacking energy: -471.025
Base-Backbone interact. energy: -0.703
local terms energy: -496.546623
where:
bonds (distance) C4'-P energy: -86.969
bonds (distance) P-C4' energy: -94.481
flat angles C4'-P-C4' energy: -107.148
flat angles P-C4'-P energy: -69.883
tors. eta vs tors. theta energy: -138.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1645.586998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.586998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.586998 (E_RNA)
where:
Base-Base interactions energy: -1179.294
where: short stacking energy: -499.617
Base-Backbone interact. energy: -0.949
local terms energy: -465.344553
where:
bonds (distance) C4'-P energy: -78.971
bonds (distance) P-C4' energy: -80.267
flat angles C4'-P-C4' energy: -103.246
flat angles P-C4'-P energy: -66.285
tors. eta vs tors. theta energy: -136.576
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: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1473.837925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.837925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.837925 (E_RNA)
where:
Base-Base interactions energy: -1033.485
where: short stacking energy: -418.757
Base-Backbone interact. energy: 0.016
local terms energy: -440.368757
where:
bonds (distance) C4'-P energy: -95.558
bonds (distance) P-C4' energy: -83.787
flat angles C4'-P-C4' energy: -74.525
flat angles P-C4'-P energy: -59.543
tors. eta vs tors. theta energy: -126.956
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: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1315.828875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.828875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.828875 (E_RNA)
where:
Base-Base interactions energy: -859.260
where: short stacking energy: -373.940
Base-Backbone interact. energy: -0.741
local terms energy: -455.828271
where:
bonds (distance) C4'-P energy: -89.242
bonds (distance) P-C4' energy: -95.706
flat angles C4'-P-C4' energy: -90.763
flat angles P-C4'-P energy: -73.134
tors. eta vs tors. theta energy: -106.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -977.760241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.760241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.760241 (E_RNA)
where:
Base-Base interactions energy: -651.118
where: short stacking energy: -284.866
Base-Backbone interact. energy: 0.186
local terms energy: -326.827926
where:
bonds (distance) C4'-P energy: -73.716
bonds (distance) P-C4' energy: -78.272
flat angles C4'-P-C4' energy: -71.700
flat angles P-C4'-P energy: -56.092
tors. eta vs tors. theta energy: -47.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -854.399888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.399888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.399888 (E_RNA)
where:
Base-Base interactions energy: -529.900
where: short stacking energy: -238.117
Base-Backbone interact. energy: 1.367
local terms energy: -325.867379
where:
bonds (distance) C4'-P energy: -80.006
bonds (distance) P-C4' energy: -74.858
flat angles C4'-P-C4' energy: -73.077
flat angles P-C4'-P energy: -53.194
tors. eta vs tors. theta energy: -44.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1848.355863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.355863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.355863 (E_RNA)
where:
Base-Base interactions energy: -1299.767
where: short stacking energy: -555.764
Base-Backbone interact. energy: -1.797
local terms energy: -546.792264
where:
bonds (distance) C4'-P energy: -97.283
bonds (distance) P-C4' energy: -96.995
flat angles C4'-P-C4' energy: -108.417
flat angles P-C4'-P energy: -84.812
tors. eta vs tors. theta energy: -159.285
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: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1815.620800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.620800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.620800 (E_RNA)
where:
Base-Base interactions energy: -1284.301
where: short stacking energy: -541.521
Base-Backbone interact. energy: 3.082
local terms energy: -534.401454
where:
bonds (distance) C4'-P energy: -95.902
bonds (distance) P-C4' energy: -98.853
flat angles C4'-P-C4' energy: -106.748
flat angles P-C4'-P energy: -77.471
tors. eta vs tors. theta energy: -155.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1787.593731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.593731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.593731 (E_RNA)
where:
Base-Base interactions energy: -1276.273
where: short stacking energy: -530.922
Base-Backbone interact. energy: -0.882
local terms energy: -510.439145
where:
bonds (distance) C4'-P energy: -88.161
bonds (distance) P-C4' energy: -84.126
flat angles C4'-P-C4' energy: -108.258
flat angles P-C4'-P energy: -77.433
tors. eta vs tors. theta energy: -152.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1710.908329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.908329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.908329 (E_RNA)
where:
Base-Base interactions energy: -1197.453
where: short stacking energy: -502.490
Base-Backbone interact. energy: -2.230
local terms energy: -511.225356
where:
bonds (distance) C4'-P energy: -102.670
bonds (distance) P-C4' energy: -76.356
flat angles C4'-P-C4' energy: -115.293
flat angles P-C4'-P energy: -71.311
tors. eta vs tors. theta energy: -145.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1638.766153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.766153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.766153 (E_RNA)
where:
Base-Base interactions energy: -1162.092
where: short stacking energy: -480.176
Base-Backbone interact. energy: -1.037
local terms energy: -475.636571
where:
bonds (distance) C4'-P energy: -73.494
bonds (distance) P-C4' energy: -92.926
flat angles C4'-P-C4' energy: -106.797
flat angles P-C4'-P energy: -70.747
tors. eta vs tors. theta energy: -131.672
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: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1555.314303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.314303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.314303 (E_RNA)
where:
Base-Base interactions energy: -1090.692
where: short stacking energy: -466.062
Base-Backbone interact. energy: 0.294
local terms energy: -464.916509
where:
bonds (distance) C4'-P energy: -90.860
bonds (distance) P-C4' energy: -86.997
flat angles C4'-P-C4' energy: -91.790
flat angles P-C4'-P energy: -68.520
tors. eta vs tors. theta energy: -126.749
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: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1464.786925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.786925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.786925 (E_RNA)
where:
Base-Base interactions energy: -1003.708
where: short stacking energy: -428.671
Base-Backbone interact. energy: -1.863
local terms energy: -459.215883
where:
bonds (distance) C4'-P energy: -89.896
bonds (distance) P-C4' energy: -85.888
flat angles C4'-P-C4' energy: -98.449
flat angles P-C4'-P energy: -69.016
tors. eta vs tors. theta energy: -115.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1321.609542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.609542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.609542 (E_RNA)
where:
Base-Base interactions energy: -896.884
where: short stacking energy: -385.859
Base-Backbone interact. energy: 0.926
local terms energy: -425.650730
where:
bonds (distance) C4'-P energy: -90.045
bonds (distance) P-C4' energy: -93.042
flat angles C4'-P-C4' energy: -84.252
flat angles P-C4'-P energy: -51.167
tors. eta vs tors. theta energy: -107.144
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: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -948.571435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.571435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.571435 (E_RNA)
where:
Base-Base interactions energy: -608.470
where: short stacking energy: -272.922
Base-Backbone interact. energy: -1.037
local terms energy: -339.065028
where:
bonds (distance) C4'-P energy: -66.235
bonds (distance) P-C4' energy: -84.930
flat angles C4'-P-C4' energy: -78.841
flat angles P-C4'-P energy: -52.413
tors. eta vs tors. theta energy: -56.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -852.212703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.212703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.212703 (E_RNA)
where:
Base-Base interactions energy: -515.180
where: short stacking energy: -241.648
Base-Backbone interact. energy: 12.577
local terms energy: -349.609624
where:
bonds (distance) C4'-P energy: -70.980
bonds (distance) P-C4' energy: -89.657
flat angles C4'-P-C4' energy: -94.952
flat angles P-C4'-P energy: -57.082
tors. eta vs tors. theta energy: -36.938
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: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1847.965518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.965518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.965518 (E_RNA)
where:
Base-Base interactions energy: -1307.349
where: short stacking energy: -546.122
Base-Backbone interact. energy: -0.895
local terms energy: -539.721524
where:
bonds (distance) C4'-P energy: -103.665
bonds (distance) P-C4' energy: -80.349
flat angles C4'-P-C4' energy: -110.489
flat angles P-C4'-P energy: -82.503
tors. eta vs tors. theta energy: -162.716
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: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1812.293872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.293872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.293872 (E_RNA)
where:
Base-Base interactions energy: -1268.852
where: short stacking energy: -530.578
Base-Backbone interact. energy: -0.999
local terms energy: -542.442365
where:
bonds (distance) C4'-P energy: -86.339
bonds (distance) P-C4' energy: -101.739
flat angles C4'-P-C4' energy: -119.407
flat angles P-C4'-P energy: -79.381
tors. eta vs tors. theta energy: -155.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1763.284778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.284778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.284778 (E_RNA)
where:
Base-Base interactions energy: -1242.777
where: short stacking energy: -523.875
Base-Backbone interact. energy: -1.988
local terms energy: -518.520298
where:
bonds (distance) C4'-P energy: -95.092
bonds (distance) P-C4' energy: -89.676
flat angles C4'-P-C4' energy: -111.642
flat angles P-C4'-P energy: -71.124
tors. eta vs tors. theta energy: -150.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1688.362192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.362192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.362192 (E_RNA)
where:
Base-Base interactions energy: -1197.351
where: short stacking energy: -498.873
Base-Backbone interact. energy: -0.970
local terms energy: -490.041407
where:
bonds (distance) C4'-P energy: -101.515
bonds (distance) P-C4' energy: -82.529
flat angles C4'-P-C4' energy: -103.530
flat angles P-C4'-P energy: -64.681
tors. eta vs tors. theta energy: -137.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1667.568144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.568144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.568144 (E_RNA)
where:
Base-Base interactions energy: -1183.764
where: short stacking energy: -487.590
Base-Backbone interact. energy: -1.028
local terms energy: -482.776594
where:
bonds (distance) C4'-P energy: -85.260
bonds (distance) P-C4' energy: -81.551
flat angles C4'-P-C4' energy: -105.970
flat angles P-C4'-P energy: -71.028
tors. eta vs tors. theta energy: -138.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1564.921512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.921512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.921512 (E_RNA)
where:
Base-Base interactions energy: -1107.381
where: short stacking energy: -448.917
Base-Backbone interact. energy: -1.847
local terms energy: -455.693333
where:
bonds (distance) C4'-P energy: -80.430
bonds (distance) P-C4' energy: -88.553
flat angles C4'-P-C4' energy: -95.057
flat angles P-C4'-P energy: -61.700
tors. eta vs tors. theta energy: -129.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1534.301858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.301858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.301858 (E_RNA)
where:
Base-Base interactions energy: -1070.990
where: short stacking energy: -451.305
Base-Backbone interact. energy: -1.682
local terms energy: -461.630569
where:
bonds (distance) C4'-P energy: -81.794
bonds (distance) P-C4' energy: -88.841
flat angles C4'-P-C4' energy: -95.423
flat angles P-C4'-P energy: -68.206
tors. eta vs tors. theta energy: -127.367
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: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1313.118193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.118193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.118193 (E_RNA)
where:
Base-Base interactions energy: -907.103
where: short stacking energy: -370.008
Base-Backbone interact. energy: -2.478
local terms energy: -403.536754
where:
bonds (distance) C4'-P energy: -84.758
bonds (distance) P-C4' energy: -88.091
flat angles C4'-P-C4' energy: -88.770
flat angles P-C4'-P energy: -48.888
tors. eta vs tors. theta energy: -93.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -971.597975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.597975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.597975 (E_RNA)
where:
Base-Base interactions energy: -642.929
where: short stacking energy: -267.702
Base-Backbone interact. energy: 2.672
local terms energy: -331.341698
where:
bonds (distance) C4'-P energy: -83.662
bonds (distance) P-C4' energy: -69.152
flat angles C4'-P-C4' energy: -69.574
flat angles P-C4'-P energy: -46.691
tors. eta vs tors. theta energy: -62.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -853.126945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.126945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.126945 (E_RNA)
where:
Base-Base interactions energy: -545.128
where: short stacking energy: -252.738
Base-Backbone interact. energy: -1.877
local terms energy: -306.121296
where:
bonds (distance) C4'-P energy: -81.850
bonds (distance) P-C4' energy: -74.008
flat angles C4'-P-C4' energy: -63.324
flat angles P-C4'-P energy: -42.017
tors. eta vs tors. theta energy: -44.922
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: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1861.624629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.624629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.624629 (E_RNA)
where:
Base-Base interactions energy: -1296.782
where: short stacking energy: -554.073
Base-Backbone interact. energy: 0.227
local terms energy: -565.069654
where:
bonds (distance) C4'-P energy: -107.002
bonds (distance) P-C4' energy: -103.014
flat angles C4'-P-C4' energy: -113.615
flat angles P-C4'-P energy: -79.146
tors. eta vs tors. theta energy: -162.292
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: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1829.623762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.623762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.623762 (E_RNA)
where:
Base-Base interactions energy: -1286.404
where: short stacking energy: -540.533
Base-Backbone interact. energy: -0.664
local terms energy: -542.555911
where:
bonds (distance) C4'-P energy: -96.313
bonds (distance) P-C4' energy: -104.057
flat angles C4'-P-C4' energy: -115.652
flat angles P-C4'-P energy: -74.823
tors. eta vs tors. theta energy: -151.711
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: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1768.418339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.418339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.418339 (E_RNA)
where:
Base-Base interactions energy: -1241.009
where: short stacking energy: -525.352
Base-Backbone interact. energy: -0.511
local terms energy: -526.898006
where:
bonds (distance) C4'-P energy: -92.709
bonds (distance) P-C4' energy: -98.825
flat angles C4'-P-C4' energy: -104.963
flat angles P-C4'-P energy: -76.655
tors. eta vs tors. theta energy: -153.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1696.343574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.343574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.343574 (E_RNA)
where:
Base-Base interactions energy: -1201.091
where: short stacking energy: -507.798
Base-Backbone interact. energy: -0.506
local terms energy: -494.746711
where:
bonds (distance) C4'-P energy: -79.653
bonds (distance) P-C4' energy: -86.566
flat angles C4'-P-C4' energy: -111.625
flat angles P-C4'-P energy: -69.510
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: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1641.765885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.765885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.765885 (E_RNA)
where:
Base-Base interactions energy: -1151.157
where: short stacking energy: -487.428
Base-Backbone interact. energy: -1.456
local terms energy: -489.152978
where:
bonds (distance) C4'-P energy: -98.454
bonds (distance) P-C4' energy: -84.887
flat angles C4'-P-C4' energy: -93.925
flat angles P-C4'-P energy: -71.146
tors. eta vs tors. theta energy: -140.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1516.873524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.873524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.873524 (E_RNA)
where:
Base-Base interactions energy: -1058.941
where: short stacking energy: -422.570
Base-Backbone interact. energy: -0.065
local terms energy: -457.867770
where:
bonds (distance) C4'-P energy: -89.237
bonds (distance) P-C4' energy: -82.502
flat angles C4'-P-C4' energy: -102.208
flat angles P-C4'-P energy: -69.254
tors. eta vs tors. theta energy: -114.667
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: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1519.393199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.393199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.393199 (E_RNA)
where:
Base-Base interactions energy: -1071.092
where: short stacking energy: -440.066
Base-Backbone interact. energy: -1.801
local terms energy: -446.499564
where:
bonds (distance) C4'-P energy: -89.862
bonds (distance) P-C4' energy: -80.863
flat angles C4'-P-C4' energy: -93.311
flat angles P-C4'-P energy: -62.533
tors. eta vs tors. theta energy: -119.931
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: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1243.696376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.696376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.696376 (E_RNA)
where:
Base-Base interactions energy: -852.839
where: short stacking energy: -365.847
Base-Backbone interact. energy: -1.338
local terms energy: -389.519153
where:
bonds (distance) C4'-P energy: -82.699
bonds (distance) P-C4' energy: -90.936
flat angles C4'-P-C4' energy: -75.855
flat angles P-C4'-P energy: -53.811
tors. eta vs tors. theta energy: -86.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -977.938028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.938028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.938028 (E_RNA)
where:
Base-Base interactions energy: -636.405
where: short stacking energy: -270.477
Base-Backbone interact. energy: -1.967
local terms energy: -339.566374
where:
bonds (distance) C4'-P energy: -78.828
bonds (distance) P-C4' energy: -63.427
flat angles C4'-P-C4' energy: -82.330
flat angles P-C4'-P energy: -54.991
tors. eta vs tors. theta energy: -59.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -867.168335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.168335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.168335 (E_RNA)
where:
Base-Base interactions energy: -540.654
where: short stacking energy: -227.112
Base-Backbone interact. energy: -4.116
local terms energy: -322.397988
where:
bonds (distance) C4'-P energy: -64.381
bonds (distance) P-C4' energy: -78.414
flat angles C4'-P-C4' energy: -81.942
flat angles P-C4'-P energy: -58.024
tors. eta vs tors. theta energy: -39.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1873.274475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.274475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.274475 (E_RNA)
where:
Base-Base interactions energy: -1323.538
where: short stacking energy: -556.490
Base-Backbone interact. energy: -2.218
local terms energy: -547.518217
where:
bonds (distance) C4'-P energy: -92.850
bonds (distance) P-C4' energy: -92.979
flat angles C4'-P-C4' energy: -113.115
flat angles P-C4'-P energy: -86.789
tors. eta vs tors. theta energy: -161.785
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: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1846.528276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.528276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.528276 (E_RNA)
where:
Base-Base interactions energy: -1296.695
where: short stacking energy: -540.411
Base-Backbone interact. energy: 0.287
local terms energy: -550.120612
where:
bonds (distance) C4'-P energy: -100.133
bonds (distance) P-C4' energy: -92.101
flat angles C4'-P-C4' energy: -110.670
flat angles P-C4'-P energy: -85.047
tors. eta vs tors. theta energy: -162.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1763.926937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.926937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.926937 (E_RNA)
where:
Base-Base interactions energy: -1235.738
where: short stacking energy: -516.048
Base-Backbone interact. energy: -1.908
local terms energy: -526.281412
where:
bonds (distance) C4'-P energy: -91.980
bonds (distance) P-C4' energy: -98.912
flat angles C4'-P-C4' energy: -110.620
flat angles P-C4'-P energy: -74.886
tors. eta vs tors. theta energy: -149.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1694.266112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.266112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.266112 (E_RNA)
where:
Base-Base interactions energy: -1181.114
where: short stacking energy: -489.051
Base-Backbone interact. energy: -0.774
local terms energy: -512.378147
where:
bonds (distance) C4'-P energy: -100.551
bonds (distance) P-C4' energy: -93.811
flat angles C4'-P-C4' energy: -101.095
flat angles P-C4'-P energy: -68.349
tors. eta vs tors. theta energy: -148.572
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: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1624.764906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.764906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.764906 (E_RNA)
where:
Base-Base interactions energy: -1165.552
where: short stacking energy: -477.542
Base-Backbone interact. energy: -0.320
local terms energy: -458.892118
where:
bonds (distance) C4'-P energy: -80.813
bonds (distance) P-C4' energy: -83.079
flat angles C4'-P-C4' energy: -112.043
flat angles P-C4'-P energy: -56.546
tors. eta vs tors. theta energy: -126.411
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: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1506.410228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.410228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.410228 (E_RNA)
where:
Base-Base interactions energy: -1083.584
where: short stacking energy: -453.034
Base-Backbone interact. energy: -1.500
local terms energy: -421.325698
where:
bonds (distance) C4'-P energy: -63.173
bonds (distance) P-C4' energy: -66.225
flat angles C4'-P-C4' energy: -89.043
flat angles P-C4'-P energy: -66.388
tors. eta vs tors. theta energy: -136.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1476.219839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.219839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.219839 (E_RNA)
where:
Base-Base interactions energy: -1045.541
where: short stacking energy: -420.522
Base-Backbone interact. energy: 0.220
local terms energy: -430.899230
where:
bonds (distance) C4'-P energy: -82.352
bonds (distance) P-C4' energy: -75.664
flat angles C4'-P-C4' energy: -95.728
flat angles P-C4'-P energy: -62.981
tors. eta vs tors. theta energy: -114.174
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: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1209.347982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.347982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.347982 (E_RNA)
where:
Base-Base interactions energy: -823.116
where: short stacking energy: -346.734
Base-Backbone interact. energy: -1.526
local terms energy: -384.706431
where:
bonds (distance) C4'-P energy: -85.844
bonds (distance) P-C4' energy: -75.094
flat angles C4'-P-C4' energy: -85.437
flat angles P-C4'-P energy: -61.237
tors. eta vs tors. theta energy: -77.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1010.127720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.127720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.127720 (E_RNA)
where:
Base-Base interactions energy: -665.045
where: short stacking energy: -295.305
Base-Backbone interact. energy: -1.430
local terms energy: -343.652115
where:
bonds (distance) C4'-P energy: -73.118
bonds (distance) P-C4' energy: -71.554
flat angles C4'-P-C4' energy: -86.825
flat angles P-C4'-P energy: -54.008
tors. eta vs tors. theta energy: -58.146
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: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -940.587393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.587393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.587393 (E_RNA)
where:
Base-Base interactions energy: -603.918
where: short stacking energy: -263.805
Base-Backbone interact. energy: -2.503
local terms energy: -334.166795
where:
bonds (distance) C4'-P energy: -76.605
bonds (distance) P-C4' energy: -78.104
flat angles C4'-P-C4' energy: -74.401
flat angles P-C4'-P energy: -51.988
tors. eta vs tors. theta energy: -53.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1842.949797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.949797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.949797 (E_RNA)
where:
Base-Base interactions energy: -1294.410
where: short stacking energy: -529.991
Base-Backbone interact. energy: -2.279
local terms energy: -546.260338
where:
bonds (distance) C4'-P energy: -93.945
bonds (distance) P-C4' energy: -106.514
flat angles C4'-P-C4' energy: -106.373
flat angles P-C4'-P energy: -78.933
tors. eta vs tors. theta energy: -160.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1823.455043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.455043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.455043 (E_RNA)
where:
Base-Base interactions energy: -1296.273
where: short stacking energy: -526.086
Base-Backbone interact. energy: -1.288
local terms energy: -525.893705
where:
bonds (distance) C4'-P energy: -97.201
bonds (distance) P-C4' energy: -91.517
flat angles C4'-P-C4' energy: -114.775
flat angles P-C4'-P energy: -78.208
tors. eta vs tors. theta energy: -144.193
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: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1742.370514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.370514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.370514 (E_RNA)
where:
Base-Base interactions energy: -1231.936
where: short stacking energy: -527.363
Base-Backbone interact. energy: 1.787
local terms energy: -512.221818
where:
bonds (distance) C4'-P energy: -83.136
bonds (distance) P-C4' energy: -85.380
flat angles C4'-P-C4' energy: -111.301
flat angles P-C4'-P energy: -77.544
tors. eta vs tors. theta energy: -154.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1699.434154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.434154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.434154 (E_RNA)
where:
Base-Base interactions energy: -1180.362
where: short stacking energy: -499.830
Base-Backbone interact. energy: -0.209
local terms energy: -518.863634
where:
bonds (distance) C4'-P energy: -88.572
bonds (distance) P-C4' energy: -95.369
flat angles C4'-P-C4' energy: -115.736
flat angles P-C4'-P energy: -80.310
tors. eta vs tors. theta energy: -138.877
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: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1645.845925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.845925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.845925 (E_RNA)
where:
Base-Base interactions energy: -1138.129
where: short stacking energy: -479.349
Base-Backbone interact. energy: 1.612
local terms energy: -509.328319
where:
bonds (distance) C4'-P energy: -86.416
bonds (distance) P-C4' energy: -95.751
flat angles C4'-P-C4' energy: -114.100
flat angles P-C4'-P energy: -75.525
tors. eta vs tors. theta energy: -137.536
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: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1506.492693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.492693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.492693 (E_RNA)
where:
Base-Base interactions energy: -1052.698
where: short stacking energy: -455.517
Base-Backbone interact. energy: 0.811
local terms energy: -454.605581
where:
bonds (distance) C4'-P energy: -84.939
bonds (distance) P-C4' energy: -91.226
flat angles C4'-P-C4' energy: -90.625
flat angles P-C4'-P energy: -59.805
tors. eta vs tors. theta energy: -128.012
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: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1522.637868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.637868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.637868 (E_RNA)
where:
Base-Base interactions energy: -1078.041
where: short stacking energy: -446.108
Base-Backbone interact. energy: 0.201
local terms energy: -444.797106
where:
bonds (distance) C4'-P energy: -79.325
bonds (distance) P-C4' energy: -86.354
flat angles C4'-P-C4' energy: -96.553
flat angles P-C4'-P energy: -57.758
tors. eta vs tors. theta energy: -124.807
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: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1202.775406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.775406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.775406 (E_RNA)
where:
Base-Base interactions energy: -799.150
where: short stacking energy: -329.198
Base-Backbone interact. energy: 2.286
local terms energy: -405.912144
where:
bonds (distance) C4'-P energy: -84.597
bonds (distance) P-C4' energy: -91.698
flat angles C4'-P-C4' energy: -90.515
flat angles P-C4'-P energy: -54.535
tors. eta vs tors. theta energy: -84.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1011.580477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.580477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.580477 (E_RNA)
where:
Base-Base interactions energy: -662.810
where: short stacking energy: -279.351
Base-Backbone interact. energy: -0.460
local terms energy: -348.310062
where:
bonds (distance) C4'-P energy: -72.638
bonds (distance) P-C4' energy: -70.455
flat angles C4'-P-C4' energy: -89.845
flat angles P-C4'-P energy: -56.447
tors. eta vs tors. theta energy: -58.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -980.057213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.057213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.057213 (E_RNA)
where:
Base-Base interactions energy: -651.288
where: short stacking energy: -279.489
Base-Backbone interact. energy: -1.460
local terms energy: -327.309390
where:
bonds (distance) C4'-P energy: -62.131
bonds (distance) P-C4' energy: -79.623
flat angles C4'-P-C4' energy: -84.347
flat angles P-C4'-P energy: -46.743
tors. eta vs tors. theta energy: -54.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1862.110345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.110345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.110345 (E_RNA)
where:
Base-Base interactions energy: -1320.168
where: short stacking energy: -545.382
Base-Backbone interact. energy: -2.021
local terms energy: -539.921641
where:
bonds (distance) C4'-P energy: -99.555
bonds (distance) P-C4' energy: -102.360
flat angles C4'-P-C4' energy: -112.042
flat angles P-C4'-P energy: -72.194
tors. eta vs tors. theta energy: -153.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1847.102545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.102545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.102545 (E_RNA)
where:
Base-Base interactions energy: -1313.754
where: short stacking energy: -543.599
Base-Backbone interact. energy: 1.230
local terms energy: -534.578920
where:
bonds (distance) C4'-P energy: -95.971
bonds (distance) P-C4' energy: -96.740
flat angles C4'-P-C4' energy: -111.374
flat angles P-C4'-P energy: -74.649
tors. eta vs tors. theta energy: -155.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1727.867617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.867617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.867617 (E_RNA)
where:
Base-Base interactions energy: -1229.930
where: short stacking energy: -511.632
Base-Backbone interact. energy: 1.676
local terms energy: -499.613419
where:
bonds (distance) C4'-P energy: -83.986
bonds (distance) P-C4' energy: -81.455
flat angles C4'-P-C4' energy: -105.527
flat angles P-C4'-P energy: -73.298
tors. eta vs tors. theta energy: -155.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1691.050232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.050232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.050232 (E_RNA)
where:
Base-Base interactions energy: -1185.353
where: short stacking energy: -498.124
Base-Backbone interact. energy: -0.715
local terms energy: -504.982520
where:
bonds (distance) C4'-P energy: -92.936
bonds (distance) P-C4' energy: -90.053
flat angles C4'-P-C4' energy: -109.680
flat angles P-C4'-P energy: -64.643
tors. eta vs tors. theta energy: -147.671
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: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1658.761331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.761331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.761331 (E_RNA)
where:
Base-Base interactions energy: -1160.628
where: short stacking energy: -493.122
Base-Backbone interact. energy: -2.979
local terms energy: -495.154884
where:
bonds (distance) C4'-P energy: -87.959
bonds (distance) P-C4' energy: -88.958
flat angles C4'-P-C4' energy: -106.918
flat angles P-C4'-P energy: -68.768
tors. eta vs tors. theta energy: -142.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1638.331226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.331226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.331226 (E_RNA)
where:
Base-Base interactions energy: -1169.994
where: short stacking energy: -494.213
Base-Backbone interact. energy: -0.573
local terms energy: -467.764287
where:
bonds (distance) C4'-P energy: -84.590
bonds (distance) P-C4' energy: -78.632
flat angles C4'-P-C4' energy: -81.091
flat angles P-C4'-P energy: -74.885
tors. eta vs tors. theta energy: -148.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1484.590633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.590633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.590633 (E_RNA)
where:
Base-Base interactions energy: -1051.582
where: short stacking energy: -419.043
Base-Backbone interact. energy: -3.101
local terms energy: -429.907507
where:
bonds (distance) C4'-P energy: -80.861
bonds (distance) P-C4' energy: -80.845
flat angles C4'-P-C4' energy: -90.207
flat angles P-C4'-P energy: -65.371
tors. eta vs tors. theta energy: -112.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1222.010869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.010869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.010869 (E_RNA)
where:
Base-Base interactions energy: -816.039
where: short stacking energy: -331.449
Base-Backbone interact. energy: -0.205
local terms energy: -405.766404
where:
bonds (distance) C4'-P energy: -79.973
bonds (distance) P-C4' energy: -78.717
flat angles C4'-P-C4' energy: -99.217
flat angles P-C4'-P energy: -63.015
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: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1010.716085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.716085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.716085 (E_RNA)
where:
Base-Base interactions energy: -669.400
where: short stacking energy: -284.346
Base-Backbone interact. energy: -1.710
local terms energy: -339.606587
where:
bonds (distance) C4'-P energy: -61.111
bonds (distance) P-C4' energy: -83.641
flat angles C4'-P-C4' energy: -95.915
flat angles P-C4'-P energy: -44.613
tors. eta vs tors. theta energy: -54.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -919.823385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.823385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.823385 (E_RNA)
where:
Base-Base interactions energy: -580.446
where: short stacking energy: -259.020
Base-Backbone interact. energy: 0.558
local terms energy: -339.934838
where:
bonds (distance) C4'-P energy: -65.464
bonds (distance) P-C4' energy: -84.696
flat angles C4'-P-C4' energy: -80.398
flat angles P-C4'-P energy: -48.776
tors. eta vs tors. theta energy: -60.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1863.649311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.649311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.649311 (E_RNA)
where:
Base-Base interactions energy: -1307.787
where: short stacking energy: -546.486
Base-Backbone interact. energy: -1.332
local terms energy: -554.530296
where:
bonds (distance) C4'-P energy: -104.993
bonds (distance) P-C4' energy: -96.854
flat angles C4'-P-C4' energy: -113.851
flat angles P-C4'-P energy: -75.429
tors. eta vs tors. theta energy: -163.404
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: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1829.109254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.109254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.109254 (E_RNA)
where:
Base-Base interactions energy: -1278.895
where: short stacking energy: -536.662
Base-Backbone interact. energy: 5.999
local terms energy: -556.213274
where:
bonds (distance) C4'-P energy: -92.542
bonds (distance) P-C4' energy: -100.025
flat angles C4'-P-C4' energy: -118.629
flat angles P-C4'-P energy: -89.179
tors. eta vs tors. theta energy: -155.839
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: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1767.578019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.578019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.578019 (E_RNA)
where:
Base-Base interactions energy: -1260.619
where: short stacking energy: -510.668
Base-Backbone interact. energy: -0.568
local terms energy: -506.391619
where:
bonds (distance) C4'-P energy: -94.156
bonds (distance) P-C4' energy: -87.403
flat angles C4'-P-C4' energy: -105.133
flat angles P-C4'-P energy: -66.322
tors. eta vs tors. theta energy: -153.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1677.040737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.040737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.040737 (E_RNA)
where:
Base-Base interactions energy: -1172.485
where: short stacking energy: -496.543
Base-Backbone interact. energy: -1.948
local terms energy: -502.607980
where:
bonds (distance) C4'-P energy: -72.439
bonds (distance) P-C4' energy: -95.781
flat angles C4'-P-C4' energy: -113.799
flat angles P-C4'-P energy: -78.244
tors. eta vs tors. theta energy: -142.345
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: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1656.524743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.524743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.524743 (E_RNA)
where:
Base-Base interactions energy: -1166.210
where: short stacking energy: -499.787
Base-Backbone interact. energy: -2.516
local terms energy: -487.799117
where:
bonds (distance) C4'-P energy: -88.476
bonds (distance) P-C4' energy: -87.005
flat angles C4'-P-C4' energy: -96.417
flat angles P-C4'-P energy: -77.550
tors. eta vs tors. theta energy: -138.352
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: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1605.354201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.354201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.354201 (E_RNA)
where:
Base-Base interactions energy: -1156.577
where: short stacking energy: -482.040
Base-Backbone interact. energy: -1.092
local terms energy: -447.684552
where:
bonds (distance) C4'-P energy: -75.695
bonds (distance) P-C4' energy: -86.207
flat angles C4'-P-C4' energy: -100.883
flat angles P-C4'-P energy: -49.902
tors. eta vs tors. theta energy: -134.998
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: 384
Temperature: 1.200000
Total energy: -1409.317209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.317209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.317209 (E_RNA)
where:
Base-Base interactions energy: -981.796
where: short stacking energy: -394.217
Base-Backbone interact. energy: -1.223
local terms energy: -426.298166
where:
bonds (distance) C4'-P energy: -68.986
bonds (distance) P-C4' energy: -82.085
flat angles C4'-P-C4' energy: -106.153
flat angles P-C4'-P energy: -64.036
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: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1233.203442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.203442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.203442 (E_RNA)
where:
Base-Base interactions energy: -838.175
where: short stacking energy: -382.218
Base-Backbone interact. energy: -2.205
local terms energy: -392.824047
where:
bonds (distance) C4'-P energy: -81.174
bonds (distance) P-C4' energy: -77.618
flat angles C4'-P-C4' energy: -90.712
flat angles P-C4'-P energy: -46.601
tors. eta vs tors. theta energy: -96.719
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: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -942.485804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.485804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.485804 (E_RNA)
where:
Base-Base interactions energy: -600.774
where: short stacking energy: -286.533
Base-Backbone interact. energy: 3.998
local terms energy: -345.710184
where:
bonds (distance) C4'-P energy: -80.083
bonds (distance) P-C4' energy: -82.194
flat angles C4'-P-C4' energy: -87.006
flat angles P-C4'-P energy: -39.775
tors. eta vs tors. theta energy: -56.653
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: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -984.440264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.440264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.440264 (E_RNA)
where:
Base-Base interactions energy: -630.460
where: short stacking energy: -276.781
Base-Backbone interact. energy: -0.287
local terms energy: -353.693103
where:
bonds (distance) C4'-P energy: -65.498
bonds (distance) P-C4' energy: -94.418
flat angles C4'-P-C4' energy: -80.900
flat angles P-C4'-P energy: -61.328
tors. eta vs tors. theta energy: -51.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1846.984073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.984073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.984073 (E_RNA)
where:
Base-Base interactions energy: -1305.999
where: short stacking energy: -526.248
Base-Backbone interact. energy: -1.890
local terms energy: -539.094547
where:
bonds (distance) C4'-P energy: -97.307
bonds (distance) P-C4' energy: -98.155
flat angles C4'-P-C4' energy: -117.336
flat angles P-C4'-P energy: -83.727
tors. eta vs tors. theta energy: -142.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1833.722903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.722903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.722903 (E_RNA)
where:
Base-Base interactions energy: -1295.658
where: short stacking energy: -537.164
Base-Backbone interact. energy: 0.447
local terms energy: -538.511414
where:
bonds (distance) C4'-P energy: -92.024
bonds (distance) P-C4' energy: -105.158
flat angles C4'-P-C4' energy: -104.613
flat angles P-C4'-P energy: -79.534
tors. eta vs tors. theta energy: -157.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1789.641950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.641950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.641950 (E_RNA)
where:
Base-Base interactions energy: -1258.440
where: short stacking energy: -529.371
Base-Backbone interact. energy: -2.951
local terms energy: -528.250901
where:
bonds (distance) C4'-P energy: -98.501
bonds (distance) P-C4' energy: -90.305
flat angles C4'-P-C4' energy: -111.415
flat angles P-C4'-P energy: -73.740
tors. eta vs tors. theta energy: -154.290
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: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1684.819505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.819505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.819505 (E_RNA)
where:
Base-Base interactions energy: -1184.595
where: short stacking energy: -487.456
Base-Backbone interact. energy: -3.452
local terms energy: -496.772316
where:
bonds (distance) C4'-P energy: -83.148
bonds (distance) P-C4' energy: -89.228
flat angles C4'-P-C4' energy: -108.227
flat angles P-C4'-P energy: -75.662
tors. eta vs tors. theta energy: -140.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1642.710815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.710815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.710815 (E_RNA)
where:
Base-Base interactions energy: -1140.193
where: short stacking energy: -473.907
Base-Backbone interact. energy: -1.709
local terms energy: -500.809074
where:
bonds (distance) C4'-P energy: -91.512
bonds (distance) P-C4' energy: -91.935
flat angles C4'-P-C4' energy: -98.996
flat angles P-C4'-P energy: -82.450
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: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1595.405369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.405369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.405369 (E_RNA)
where:
Base-Base interactions energy: -1108.381
where: short stacking energy: -457.461
Base-Backbone interact. energy: -3.494
local terms energy: -483.530663
where:
bonds (distance) C4'-P energy: -76.542
bonds (distance) P-C4' energy: -96.825
flat angles C4'-P-C4' energy: -114.373
flat angles P-C4'-P energy: -63.810
tors. eta vs tors. theta energy: -131.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1412.857622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.857622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.857622 (E_RNA)
where:
Base-Base interactions energy: -984.715
where: short stacking energy: -415.300
Base-Backbone interact. energy: 0.606
local terms energy: -428.748934
where:
bonds (distance) C4'-P energy: -79.343
bonds (distance) P-C4' energy: -81.647
flat angles C4'-P-C4' energy: -89.866
flat angles P-C4'-P energy: -64.953
tors. eta vs tors. theta energy: -112.940
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: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1216.998609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.998609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.998609 (E_RNA)
where:
Base-Base interactions energy: -840.863
where: short stacking energy: -363.021
Base-Backbone interact. energy: -0.261
local terms energy: -375.874792
where:
bonds (distance) C4'-P energy: -79.337
bonds (distance) P-C4' energy: -70.047
flat angles C4'-P-C4' energy: -88.203
flat angles P-C4'-P energy: -48.447
tors. eta vs tors. theta energy: -89.840
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: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -921.950614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.950614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.950614 (E_RNA)
where:
Base-Base interactions energy: -589.709
where: short stacking energy: -277.860
Base-Backbone interact. energy: 1.112
local terms energy: -333.354080
where:
bonds (distance) C4'-P energy: -72.131
bonds (distance) P-C4' energy: -77.213
flat angles C4'-P-C4' energy: -77.212
flat angles P-C4'-P energy: -51.268
tors. eta vs tors. theta energy: -55.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -981.451020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.451020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.451020 (E_RNA)
where:
Base-Base interactions energy: -637.257
where: short stacking energy: -286.185
Base-Backbone interact. energy: -1.150
local terms energy: -343.044488
where:
bonds (distance) C4'-P energy: -58.388
bonds (distance) P-C4' energy: -91.255
flat angles C4'-P-C4' energy: -83.540
flat angles P-C4'-P energy: -53.291
tors. eta vs tors. theta energy: -56.571
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: 6
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1878.540006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.540006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.540006 (E_RNA)
where:
Base-Base interactions energy: -1335.372
where: short stacking energy: -558.067
Base-Backbone interact. energy: -1.626
local terms energy: -541.541799
where:
bonds (distance) C4'-P energy: -103.244
bonds (distance) P-C4' energy: -89.866
flat angles C4'-P-C4' energy: -110.831
flat angles P-C4'-P energy: -81.704
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: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1815.394349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.394349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.394349 (E_RNA)
where:
Base-Base interactions energy: -1308.001
where: short stacking energy: -545.445
Base-Backbone interact. energy: 2.799
local terms energy: -510.192407
where:
bonds (distance) C4'-P energy: -84.743
bonds (distance) P-C4' energy: -92.156
flat angles C4'-P-C4' energy: -109.891
flat angles P-C4'-P energy: -71.150
tors. eta vs tors. theta energy: -152.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1734.120950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.120950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.120950 (E_RNA)
where:
Base-Base interactions energy: -1228.205
where: short stacking energy: -532.068
Base-Backbone interact. energy: -0.944
local terms energy: -504.971783
where:
bonds (distance) C4'-P energy: -85.791
bonds (distance) P-C4' energy: -86.171
flat angles C4'-P-C4' energy: -112.728
flat angles P-C4'-P energy: -75.943
tors. eta vs tors. theta energy: -144.339
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: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1771.163008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.163008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.163008 (E_RNA)
where:
Base-Base interactions energy: -1242.927
where: short stacking energy: -533.916
Base-Backbone interact. energy: 0.825
local terms energy: -529.060986
where:
bonds (distance) C4'-P energy: -91.861
bonds (distance) P-C4' energy: -96.411
flat angles C4'-P-C4' energy: -108.351
flat angles P-C4'-P energy: -63.213
tors. eta vs tors. theta energy: -169.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1607.341795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.341795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.341795 (E_RNA)
where:
Base-Base interactions energy: -1114.275
where: short stacking energy: -445.924
Base-Backbone interact. energy: -0.819
local terms energy: -492.247953
where:
bonds (distance) C4'-P energy: -76.403
bonds (distance) P-C4' energy: -102.733
flat angles C4'-P-C4' energy: -101.256
flat angles P-C4'-P energy: -70.577
tors. eta vs tors. theta energy: -141.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1589.500515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.500515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.500515 (E_RNA)
where:
Base-Base interactions energy: -1127.930
where: short stacking energy: -456.647
Base-Backbone interact. energy: -2.458
local terms energy: -459.113125
where:
bonds (distance) C4'-P energy: -73.731
bonds (distance) P-C4' energy: -94.584
flat angles C4'-P-C4' energy: -94.758
flat angles P-C4'-P energy: -67.548
tors. eta vs tors. theta energy: -128.492
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: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1451.132588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.132588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.132588 (E_RNA)
where:
Base-Base interactions energy: -1021.202
where: short stacking energy: -429.776
Base-Backbone interact. energy: 4.312
local terms energy: -434.241873
where:
bonds (distance) C4'-P energy: -84.076
bonds (distance) P-C4' energy: -79.274
flat angles C4'-P-C4' energy: -87.858
flat angles P-C4'-P energy: -67.734
tors. eta vs tors. theta energy: -115.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1213.623916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.623916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.623916 (E_RNA)
where:
Base-Base interactions energy: -825.828
where: short stacking energy: -351.508
Base-Backbone interact. energy: -4.128
local terms energy: -383.667075
where:
bonds (distance) C4'-P energy: -84.006
bonds (distance) P-C4' energy: -72.197
flat angles C4'-P-C4' energy: -81.706
flat angles P-C4'-P energy: -58.073
tors. eta vs tors. theta energy: -87.684
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: 386
Temperature: 1.300000
Total energy: -1004.651647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.651647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.651647 (E_RNA)
where:
Base-Base interactions energy: -658.026
where: short stacking energy: -278.356
Base-Backbone interact. energy: -0.422
local terms energy: -346.203795
where:
bonds (distance) C4'-P energy: -72.555
bonds (distance) P-C4' energy: -87.190
flat angles C4'-P-C4' energy: -77.913
flat angles P-C4'-P energy: -62.458
tors. eta vs tors. theta energy: -46.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -919.827359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.827359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.827359 (E_RNA)
where:
Base-Base interactions energy: -588.097
where: short stacking energy: -260.084
Base-Backbone interact. energy: 2.166
local terms energy: -333.895661
where:
bonds (distance) C4'-P energy: -74.962
bonds (distance) P-C4' energy: -86.285
flat angles C4'-P-C4' energy: -86.054
flat angles P-C4'-P energy: -37.599
tors. eta vs tors. theta energy: -48.995
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: 1, replica: 6
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1862.347857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.347857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.347857 (E_RNA)
where:
Base-Base interactions energy: -1335.493
where: short stacking energy: -558.975
Base-Backbone interact. energy: -1.662
local terms energy: -525.193798
where:
bonds (distance) C4'-P energy: -88.973
bonds (distance) P-C4' energy: -76.777
flat angles C4'-P-C4' energy: -117.230
flat angles P-C4'-P energy: -83.299
tors. eta vs tors. theta energy: -158.914
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: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1802.560467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.560467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.560467 (E_RNA)
where:
Base-Base interactions energy: -1266.154
where: short stacking energy: -520.584
Base-Backbone interact. energy: 0.232
local terms energy: -536.638591
where:
bonds (distance) C4'-P energy: -87.271
bonds (distance) P-C4' energy: -104.790
flat angles C4'-P-C4' energy: -108.939
flat angles P-C4'-P energy: -79.494
tors. eta vs tors. theta energy: -156.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1748.918982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.918982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.918982 (E_RNA)
where:
Base-Base interactions energy: -1238.577
where: short stacking energy: -524.847
Base-Backbone interact. energy: -1.498
local terms energy: -508.844478
where:
bonds (distance) C4'-P energy: -80.057
bonds (distance) P-C4' energy: -96.159
flat angles C4'-P-C4' energy: -109.207
flat angles P-C4'-P energy: -79.907
tors. eta vs tors. theta energy: -143.514
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: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1718.310094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.310094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.310094 (E_RNA)
where:
Base-Base interactions energy: -1207.761
where: short stacking energy: -520.334
Base-Backbone interact. energy: -1.029
local terms energy: -509.519735
where:
bonds (distance) C4'-P energy: -83.014
bonds (distance) P-C4' energy: -104.229
flat angles C4'-P-C4' energy: -100.559
flat angles P-C4'-P energy: -70.873
tors. eta vs tors. theta energy: -150.845
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: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1626.672502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.672502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.672502 (E_RNA)
where:
Base-Base interactions energy: -1141.657
where: short stacking energy: -489.762
Base-Backbone interact. energy: -1.333
local terms energy: -483.682621
where:
bonds (distance) C4'-P energy: -74.764
bonds (distance) P-C4' energy: -105.920
flat angles C4'-P-C4' energy: -96.733
flat angles P-C4'-P energy: -70.452
tors. eta vs tors. theta energy: -135.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1635.214924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.214924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.214924 (E_RNA)
where:
Base-Base interactions energy: -1180.854
where: short stacking energy: -477.882
Base-Backbone interact. energy: -1.559
local terms energy: -452.802327
where:
bonds (distance) C4'-P energy: -86.970
bonds (distance) P-C4' energy: -72.248
flat angles C4'-P-C4' energy: -99.090
flat angles P-C4'-P energy: -51.842
tors. eta vs tors. theta energy: -142.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1442.859081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.859081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.859081 (E_RNA)
where:
Base-Base interactions energy: -1014.456
where: short stacking energy: -413.948
Base-Backbone interact. energy: 0.616
local terms energy: -429.019879
where:
bonds (distance) C4'-P energy: -75.343
bonds (distance) P-C4' energy: -75.316
flat angles C4'-P-C4' energy: -92.886
flat angles P-C4'-P energy: -71.341
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: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1175.524304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.524304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.524304 (E_RNA)
where:
Base-Base interactions energy: -767.972
where: short stacking energy: -317.347
Base-Backbone interact. energy: -3.894
local terms energy: -403.658145
where:
bonds (distance) C4'-P energy: -83.877
bonds (distance) P-C4' energy: -68.365
flat angles C4'-P-C4' energy: -103.506
flat angles P-C4'-P energy: -61.188
tors. eta vs tors. theta energy: -86.722
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: 387
Temperature: 1.300000
Total energy: -967.259992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.259992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.259992 (E_RNA)
where:
Base-Base interactions energy: -625.162
where: short stacking energy: -282.701
Base-Backbone interact. energy: -2.872
local terms energy: -339.225553
where:
bonds (distance) C4'-P energy: -77.961
bonds (distance) P-C4' energy: -81.571
flat angles C4'-P-C4' energy: -86.874
flat angles P-C4'-P energy: -50.431
tors. eta vs tors. theta energy: -42.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -887.143423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.143423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.143423 (E_RNA)
where:
Base-Base interactions energy: -568.038
where: short stacking energy: -256.924
Base-Backbone interact. energy: -1.629
local terms energy: -317.476401
where:
bonds (distance) C4'-P energy: -66.389
bonds (distance) P-C4' energy: -76.129
flat angles C4'-P-C4' energy: -84.701
flat angles P-C4'-P energy: -48.456
tors. eta vs tors. theta energy: -41.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1846.684865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.684865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.684865 (E_RNA)
where:
Base-Base interactions energy: -1287.585
where: short stacking energy: -533.916
Base-Backbone interact. energy: -0.657
local terms energy: -558.443704
where:
bonds (distance) C4'-P energy: -100.948
bonds (distance) P-C4' energy: -104.656
flat angles C4'-P-C4' energy: -111.614
flat angles P-C4'-P energy: -84.990
tors. eta vs tors. theta energy: -156.236
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: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1828.678048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.678048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.678048 (E_RNA)
where:
Base-Base interactions energy: -1307.405
where: short stacking energy: -530.836
Base-Backbone interact. energy: -3.140
local terms energy: -518.133097
where:
bonds (distance) C4'-P energy: -100.223
bonds (distance) P-C4' energy: -87.564
flat angles C4'-P-C4' energy: -101.705
flat angles P-C4'-P energy: -83.788
tors. eta vs tors. theta energy: -144.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1753.211242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.211242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.211242 (E_RNA)
where:
Base-Base interactions energy: -1234.199
where: short stacking energy: -532.040
Base-Backbone interact. energy: 0.146
local terms energy: -519.157579
where:
bonds (distance) C4'-P energy: -85.625
bonds (distance) P-C4' energy: -96.509
flat angles C4'-P-C4' energy: -102.716
flat angles P-C4'-P energy: -75.343
tors. eta vs tors. theta energy: -158.964
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: 388
Temperature: 1.050000
Total energy: -1710.722114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.722114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.722114 (E_RNA)
where:
Base-Base interactions energy: -1205.626
where: short stacking energy: -514.168
Base-Backbone interact. energy: -2.827
local terms energy: -502.268825
where:
bonds (distance) C4'-P energy: -92.518
bonds (distance) P-C4' energy: -77.067
flat angles C4'-P-C4' energy: -116.246
flat angles P-C4'-P energy: -64.355
tors. eta vs tors. theta energy: -152.083
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: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1687.113718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.113718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.113718 (E_RNA)
where:
Base-Base interactions energy: -1184.627
where: short stacking energy: -462.993
Base-Backbone interact. energy: -1.661
local terms energy: -500.826491
where:
bonds (distance) C4'-P energy: -85.887
bonds (distance) P-C4' energy: -86.064
flat angles C4'-P-C4' energy: -107.647
flat angles P-C4'-P energy: -78.808
tors. eta vs tors. theta energy: -142.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1550.485892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.485892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.485892 (E_RNA)
where:
Base-Base interactions energy: -1092.362
where: short stacking energy: -445.525
Base-Backbone interact. energy: -4.044
local terms energy: -454.080298
where:
bonds (distance) C4'-P energy: -84.176
bonds (distance) P-C4' energy: -75.177
flat angles C4'-P-C4' energy: -106.239
flat angles P-C4'-P energy: -67.998
tors. eta vs tors. theta energy: -120.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1462.627976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.627976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.627976 (E_RNA)
where:
Base-Base interactions energy: -1015.483
where: short stacking energy: -431.863
Base-Backbone interact. energy: -1.412
local terms energy: -445.732944
where:
bonds (distance) C4'-P energy: -83.365
bonds (distance) P-C4' energy: -90.341
flat angles C4'-P-C4' energy: -79.870
flat angles P-C4'-P energy: -71.105
tors. eta vs tors. theta energy: -121.052
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: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1200.788692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.788692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.788692 (E_RNA)
where:
Base-Base interactions energy: -815.243
where: short stacking energy: -356.732
Base-Backbone interact. energy: 0.058
local terms energy: -385.603623
where:
bonds (distance) C4'-P energy: -71.793
bonds (distance) P-C4' energy: -95.282
flat angles C4'-P-C4' energy: -76.412
flat angles P-C4'-P energy: -63.248
tors. eta vs tors. theta energy: -78.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -926.371832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.371832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.371832 (E_RNA)
where:
Base-Base interactions energy: -610.577
where: short stacking energy: -263.981
Base-Backbone interact. energy: -0.167
local terms energy: -315.627542
where:
bonds (distance) C4'-P energy: -68.522
bonds (distance) P-C4' energy: -94.767
flat angles C4'-P-C4' energy: -84.155
flat angles P-C4'-P energy: -28.714
tors. eta vs tors. theta energy: -39.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -869.788245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.788245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.788245 (E_RNA)
where:
Base-Base interactions energy: -584.112
where: short stacking energy: -253.851
Base-Backbone interact. energy: 4.171
local terms energy: -289.846552
where:
bonds (distance) C4'-P energy: -61.859
bonds (distance) P-C4' energy: -69.412
flat angles C4'-P-C4' energy: -74.860
flat angles P-C4'-P energy: -45.582
tors. eta vs tors. theta energy: -38.134
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: 389
Temperature: 0.900000
Total energy: -1824.272869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.272869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.272869 (E_RNA)
where:
Base-Base interactions energy: -1264.758
where: short stacking energy: -527.590
Base-Backbone interact. energy: -2.726
local terms energy: -556.788667
where:
bonds (distance) C4'-P energy: -100.662
bonds (distance) P-C4' energy: -105.929
flat angles C4'-P-C4' energy: -117.452
flat angles P-C4'-P energy: -80.571
tors. eta vs tors. theta energy: -152.175
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: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1753.015802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.015802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.015802 (E_RNA)
where:
Base-Base interactions energy: -1223.048
where: short stacking energy: -518.785
Base-Backbone interact. energy: -3.302
local terms energy: -526.666368
where:
bonds (distance) C4'-P energy: -92.674
bonds (distance) P-C4' energy: -110.360
flat angles C4'-P-C4' energy: -112.342
flat angles P-C4'-P energy: -68.332
tors. eta vs tors. theta energy: -142.959
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: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1745.827438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.827438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.827438 (E_RNA)
where:
Base-Base interactions energy: -1224.997
where: short stacking energy: -523.472
Base-Backbone interact. energy: -0.546
local terms energy: -520.284537
where:
bonds (distance) C4'-P energy: -93.946
bonds (distance) P-C4' energy: -92.741
flat angles C4'-P-C4' energy: -104.233
flat angles P-C4'-P energy: -83.337
tors. eta vs tors. theta energy: -146.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1697.581718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.581718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.581718 (E_RNA)
where:
Base-Base interactions energy: -1202.825
where: short stacking energy: -488.406
Base-Backbone interact. energy: -2.368
local terms energy: -492.388433
where:
bonds (distance) C4'-P energy: -83.687
bonds (distance) P-C4' energy: -94.940
flat angles C4'-P-C4' energy: -103.239
flat angles P-C4'-P energy: -70.297
tors. eta vs tors. theta energy: -140.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1679.014357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.014357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.014357 (E_RNA)
where:
Base-Base interactions energy: -1202.782
where: short stacking energy: -498.142
Base-Backbone interact. energy: -1.155
local terms energy: -475.077926
where:
bonds (distance) C4'-P energy: -83.054
bonds (distance) P-C4' energy: -75.692
flat angles C4'-P-C4' energy: -99.602
flat angles P-C4'-P energy: -69.385
tors. eta vs tors. theta energy: -147.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1559.430894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.430894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.430894 (E_RNA)
where:
Base-Base interactions energy: -1113.894
where: short stacking energy: -466.761
Base-Backbone interact. energy: -3.065
local terms energy: -442.472114
where:
bonds (distance) C4'-P energy: -62.183
bonds (distance) P-C4' energy: -90.811
flat angles C4'-P-C4' energy: -100.334
flat angles P-C4'-P energy: -67.245
tors. eta vs tors. theta energy: -121.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1467.397673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.397673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.397673 (E_RNA)
where:
Base-Base interactions energy: -1036.154
where: short stacking energy: -415.042
Base-Backbone interact. energy: 0.270
local terms energy: -431.514318
where:
bonds (distance) C4'-P energy: -77.586
bonds (distance) P-C4' energy: -81.695
flat angles C4'-P-C4' energy: -88.702
flat angles P-C4'-P energy: -66.878
tors. eta vs tors. theta energy: -116.654
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: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1218.917991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.917991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.917991 (E_RNA)
where:
Base-Base interactions energy: -833.479
where: short stacking energy: -371.831
Base-Backbone interact. energy: 0.022
local terms energy: -385.461184
where:
bonds (distance) C4'-P energy: -69.560
bonds (distance) P-C4' energy: -100.538
flat angles C4'-P-C4' energy: -80.497
flat angles P-C4'-P energy: -40.131
tors. eta vs tors. theta energy: -94.734
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: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -946.208081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.208081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.208081 (E_RNA)
where:
Base-Base interactions energy: -600.349
where: short stacking energy: -273.353
Base-Backbone interact. energy: -2.634
local terms energy: -343.225052
where:
bonds (distance) C4'-P energy: -70.009
bonds (distance) P-C4' energy: -89.082
flat angles C4'-P-C4' energy: -77.825
flat angles P-C4'-P energy: -55.541
tors. eta vs tors. theta energy: -50.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -790.179147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.179147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.179147 (E_RNA)
where:
Base-Base interactions energy: -482.538
where: short stacking energy: -221.058
Base-Backbone interact. energy: -1.231
local terms energy: -306.410909
where:
bonds (distance) C4'-P energy: -80.485
bonds (distance) P-C4' energy: -75.059
flat angles C4'-P-C4' energy: -84.917
flat angles P-C4'-P energy: -42.865
tors. eta vs tors. theta energy: -23.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1878.488449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.488449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.488449 (E_RNA)
where:
Base-Base interactions energy: -1335.496
where: short stacking energy: -553.025
Base-Backbone interact. energy: -0.969
local terms energy: -542.023001
where:
bonds (distance) C4'-P energy: -95.927
bonds (distance) P-C4' energy: -95.465
flat angles C4'-P-C4' energy: -117.964
flat angles P-C4'-P energy: -79.524
tors. eta vs tors. theta energy: -153.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1765.547654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.547654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.547654 (E_RNA)
where:
Base-Base interactions energy: -1263.085
where: short stacking energy: -507.079
Base-Backbone interact. energy: -2.740
local terms energy: -499.722710
where:
bonds (distance) C4'-P energy: -87.778
bonds (distance) P-C4' energy: -82.214
flat angles C4'-P-C4' energy: -110.850
flat angles P-C4'-P energy: -79.188
tors. eta vs tors. theta energy: -139.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1766.620468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.620468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.620468 (E_RNA)
where:
Base-Base interactions energy: -1272.251
where: short stacking energy: -514.981
Base-Backbone interact. energy: 0.297
local terms energy: -494.665735
where:
bonds (distance) C4'-P energy: -90.718
bonds (distance) P-C4' energy: -80.941
flat angles C4'-P-C4' energy: -108.405
flat angles P-C4'-P energy: -67.992
tors. eta vs tors. theta energy: -146.610
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: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1704.009244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.009244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.009244 (E_RNA)
where:
Base-Base interactions energy: -1204.391
where: short stacking energy: -506.948
Base-Backbone interact. energy: -1.499
local terms energy: -498.119606
where:
bonds (distance) C4'-P energy: -86.597
bonds (distance) P-C4' energy: -80.483
flat angles C4'-P-C4' energy: -110.555
flat angles P-C4'-P energy: -74.005
tors. eta vs tors. theta energy: -146.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1698.804384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.804384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.804384 (E_RNA)
where:
Base-Base interactions energy: -1179.419
where: short stacking energy: -498.505
Base-Backbone interact. energy: -1.061
local terms energy: -518.323814
where:
bonds (distance) C4'-P energy: -86.735
bonds (distance) P-C4' energy: -103.632
flat angles C4'-P-C4' energy: -109.932
flat angles P-C4'-P energy: -74.406
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: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1584.061076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.061076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.061076 (E_RNA)
where:
Base-Base interactions energy: -1118.292
where: short stacking energy: -474.242
Base-Backbone interact. energy: -3.144
local terms energy: -462.625238
where:
bonds (distance) C4'-P energy: -78.734
bonds (distance) P-C4' energy: -80.642
flat angles C4'-P-C4' energy: -105.086
flat angles P-C4'-P energy: -65.330
tors. eta vs tors. theta energy: -132.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1477.707631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.707631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.707631 (E_RNA)
where:
Base-Base interactions energy: -1041.557
where: short stacking energy: -439.855
Base-Backbone interact. energy: -1.976
local terms energy: -434.175069
where:
bonds (distance) C4'-P energy: -73.006
bonds (distance) P-C4' energy: -95.080
flat angles C4'-P-C4' energy: -93.557
flat angles P-C4'-P energy: -51.216
tors. eta vs tors. theta energy: -121.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1239.228535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.228535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.228535 (E_RNA)
where:
Base-Base interactions energy: -855.138
where: short stacking energy: -369.106
Base-Backbone interact. energy: 1.433
local terms energy: -385.524234
where:
bonds (distance) C4'-P energy: -68.079
bonds (distance) P-C4' energy: -74.057
flat angles C4'-P-C4' energy: -88.716
flat angles P-C4'-P energy: -69.902
tors. eta vs tors. theta energy: -84.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -941.392394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.392394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.392394 (E_RNA)
where:
Base-Base interactions energy: -594.600
where: short stacking energy: -288.184
Base-Backbone interact. energy: -0.930
local terms energy: -345.862362
where:
bonds (distance) C4'-P energy: -77.418
bonds (distance) P-C4' energy: -77.435
flat angles C4'-P-C4' energy: -85.111
flat angles P-C4'-P energy: -43.772
tors. eta vs tors. theta energy: -62.126
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: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -844.491222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.491222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.491222 (E_RNA)
where:
Base-Base interactions energy: -561.785
where: short stacking energy: -234.787
Base-Backbone interact. energy: -0.379
local terms energy: -282.326934
where:
bonds (distance) C4'-P energy: -84.231
bonds (distance) P-C4' energy: -65.038
flat angles C4'-P-C4' energy: -59.160
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -36.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1837.760967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.760967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.760967 (E_RNA)
where:
Base-Base interactions energy: -1291.008
where: short stacking energy: -529.222
Base-Backbone interact. energy: -1.066
local terms energy: -545.687328
where:
bonds (distance) C4'-P energy: -95.894
bonds (distance) P-C4' energy: -106.148
flat angles C4'-P-C4' energy: -112.475
flat angles P-C4'-P energy: -73.336
tors. eta vs tors. theta energy: -157.835
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: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1814.553867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.553867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.553867 (E_RNA)
where:
Base-Base interactions energy: -1284.987
where: short stacking energy: -535.535
Base-Backbone interact. energy: -1.470
local terms energy: -528.096747
where:
bonds (distance) C4'-P energy: -101.697
bonds (distance) P-C4' energy: -89.816
flat angles C4'-P-C4' energy: -111.728
flat angles P-C4'-P energy: -80.456
tors. eta vs tors. theta energy: -144.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1736.810558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.810558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.810558 (E_RNA)
where:
Base-Base interactions energy: -1242.150
where: short stacking energy: -506.592
Base-Backbone interact. energy: -1.523
local terms energy: -493.137041
where:
bonds (distance) C4'-P energy: -97.422
bonds (distance) P-C4' energy: -99.353
flat angles C4'-P-C4' energy: -97.335
flat angles P-C4'-P energy: -63.397
tors. eta vs tors. theta energy: -135.630
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: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1710.503686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.503686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.503686 (E_RNA)
where:
Base-Base interactions energy: -1195.327
where: short stacking energy: -506.485
Base-Backbone interact. energy: -1.498
local terms energy: -513.679030
where:
bonds (distance) C4'-P energy: -91.475
bonds (distance) P-C4' energy: -85.521
flat angles C4'-P-C4' energy: -113.375
flat angles P-C4'-P energy: -76.101
tors. eta vs tors. theta energy: -147.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1714.951676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.951676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.951676 (E_RNA)
where:
Base-Base interactions energy: -1194.096
where: short stacking energy: -499.700
Base-Backbone interact. energy: -0.240
local terms energy: -520.615185
where:
bonds (distance) C4'-P energy: -91.275
bonds (distance) P-C4' energy: -94.291
flat angles C4'-P-C4' energy: -105.560
flat angles P-C4'-P energy: -71.864
tors. eta vs tors. theta energy: -157.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1578.015562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.015562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.015562 (E_RNA)
where:
Base-Base interactions energy: -1118.112
where: short stacking energy: -472.697
Base-Backbone interact. energy: -1.504
local terms energy: -458.399225
where:
bonds (distance) C4'-P energy: -95.026
bonds (distance) P-C4' energy: -73.519
flat angles C4'-P-C4' energy: -90.965
flat angles P-C4'-P energy: -61.626
tors. eta vs tors. theta energy: -137.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1478.414019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.414019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.414019 (E_RNA)
where:
Base-Base interactions energy: -1045.190
where: short stacking energy: -440.695
Base-Backbone interact. energy: -1.161
local terms energy: -432.063238
where:
bonds (distance) C4'-P energy: -80.282
bonds (distance) P-C4' energy: -63.208
flat angles C4'-P-C4' energy: -93.964
flat angles P-C4'-P energy: -68.903
tors. eta vs tors. theta energy: -125.706
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: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1217.197535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.197535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.197535 (E_RNA)
where:
Base-Base interactions energy: -849.448
where: short stacking energy: -368.445
Base-Backbone interact. energy: -2.046
local terms energy: -365.704206
where:
bonds (distance) C4'-P energy: -86.889
bonds (distance) P-C4' energy: -69.207
flat angles C4'-P-C4' energy: -78.701
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -91.659
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: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -965.426992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.426992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.426992 (E_RNA)
where:
Base-Base interactions energy: -617.576
where: short stacking energy: -286.626
Base-Backbone interact. energy: -3.299
local terms energy: -344.551907
where:
bonds (distance) C4'-P energy: -72.683
bonds (distance) P-C4' energy: -73.581
flat angles C4'-P-C4' energy: -84.514
flat angles P-C4'-P energy: -40.153
tors. eta vs tors. theta energy: -73.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -870.276791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.276791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.276791 (E_RNA)
where:
Base-Base interactions energy: -565.258
where: short stacking energy: -229.797
Base-Backbone interact. energy: 6.371
local terms energy: -311.390045
where:
bonds (distance) C4'-P energy: -88.005
bonds (distance) P-C4' energy: -88.103
flat angles C4'-P-C4' energy: -66.856
flat angles P-C4'-P energy: -41.956
tors. eta vs tors. theta energy: -26.470
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: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1844.966996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.966996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.966996 (E_RNA)
where:
Base-Base interactions energy: -1300.940
where: short stacking energy: -520.487
Base-Backbone interact. energy: -2.797
local terms energy: -541.230644
where:
bonds (distance) C4'-P energy: -105.023
bonds (distance) P-C4' energy: -101.482
flat angles C4'-P-C4' energy: -112.306
flat angles P-C4'-P energy: -73.939
tors. eta vs tors. theta energy: -148.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1799.971285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.971285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.971285 (E_RNA)
where:
Base-Base interactions energy: -1272.902
where: short stacking energy: -519.166
Base-Backbone interact. energy: 0.093
local terms energy: -527.162103
where:
bonds (distance) C4'-P energy: -101.502
bonds (distance) P-C4' energy: -94.463
flat angles C4'-P-C4' energy: -112.807
flat angles P-C4'-P energy: -72.573
tors. eta vs tors. theta energy: -145.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1746.297347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.297347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.297347 (E_RNA)
where:
Base-Base interactions energy: -1225.707
where: short stacking energy: -486.262
Base-Backbone interact. energy: -0.260
local terms energy: -520.331178
where:
bonds (distance) C4'-P energy: -94.278
bonds (distance) P-C4' energy: -108.622
flat angles C4'-P-C4' energy: -111.800
flat angles P-C4'-P energy: -68.579
tors. eta vs tors. theta energy: -137.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1712.228533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.228533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.228533 (E_RNA)
where:
Base-Base interactions energy: -1209.743
where: short stacking energy: -492.487
Base-Backbone interact. energy: 0.315
local terms energy: -502.801120
where:
bonds (distance) C4'-P energy: -92.492
bonds (distance) P-C4' energy: -95.879
flat angles C4'-P-C4' energy: -111.388
flat angles P-C4'-P energy: -61.396
tors. eta vs tors. theta energy: -141.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1726.960129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.960129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.960129 (E_RNA)
where:
Base-Base interactions energy: -1203.958
where: short stacking energy: -513.475
Base-Backbone interact. energy: -1.935
local terms energy: -521.067254
where:
bonds (distance) C4'-P energy: -89.990
bonds (distance) P-C4' energy: -95.830
flat angles C4'-P-C4' energy: -115.897
flat angles P-C4'-P energy: -63.682
tors. eta vs tors. theta energy: -155.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1548.255412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.255412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.255412 (E_RNA)
where:
Base-Base interactions energy: -1086.687
where: short stacking energy: -443.708
Base-Backbone interact. energy: -0.360
local terms energy: -461.207722
where:
bonds (distance) C4'-P energy: -79.815
bonds (distance) P-C4' energy: -79.506
flat angles C4'-P-C4' energy: -110.205
flat angles P-C4'-P energy: -65.458
tors. eta vs tors. theta energy: -126.223
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: 392
Temperature: 1.200000
Total energy: -1430.609139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.609139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.609139 (E_RNA)
where:
Base-Base interactions energy: -987.453
where: short stacking energy: -424.014
Base-Backbone interact. energy: -2.451
local terms energy: -440.704494
where:
bonds (distance) C4'-P energy: -80.410
bonds (distance) P-C4' energy: -91.288
flat angles C4'-P-C4' energy: -83.387
flat angles P-C4'-P energy: -72.632
tors. eta vs tors. theta energy: -112.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1209.273979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.273979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.273979 (E_RNA)
where:
Base-Base interactions energy: -814.864
where: short stacking energy: -364.147
Base-Backbone interact. energy: -2.017
local terms energy: -392.392974
where:
bonds (distance) C4'-P energy: -74.539
bonds (distance) P-C4' energy: -71.356
flat angles C4'-P-C4' energy: -102.195
flat angles P-C4'-P energy: -51.719
tors. eta vs tors. theta energy: -92.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -950.956926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.956926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.956926 (E_RNA)
where:
Base-Base interactions energy: -604.186
where: short stacking energy: -281.555
Base-Backbone interact. energy: -2.013
local terms energy: -344.757656
where:
bonds (distance) C4'-P energy: -75.136
bonds (distance) P-C4' energy: -84.722
flat angles C4'-P-C4' energy: -88.240
flat angles P-C4'-P energy: -47.682
tors. eta vs tors. theta energy: -48.977
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: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -859.682482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.682482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.682482 (E_RNA)
where:
Base-Base interactions energy: -530.912
where: short stacking energy: -231.191
Base-Backbone interact. energy: 4.252
local terms energy: -333.023235
where:
bonds (distance) C4'-P energy: -84.268
bonds (distance) P-C4' energy: -78.536
flat angles C4'-P-C4' energy: -73.766
flat angles P-C4'-P energy: -47.091
tors. eta vs tors. theta energy: -49.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1837.956834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.956834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.956834 (E_RNA)
where:
Base-Base interactions energy: -1316.467
where: short stacking energy: -519.676
Base-Backbone interact. energy: -2.959
local terms energy: -518.530912
where:
bonds (distance) C4'-P energy: -97.264
bonds (distance) P-C4' energy: -88.671
flat angles C4'-P-C4' energy: -100.761
flat angles P-C4'-P energy: -81.392
tors. eta vs tors. theta energy: -150.443
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: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1812.481885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.481885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.481885 (E_RNA)
where:
Base-Base interactions energy: -1271.004
where: short stacking energy: -535.244
Base-Backbone interact. energy: 0.654
local terms energy: -542.131936
where:
bonds (distance) C4'-P energy: -97.478
bonds (distance) P-C4' energy: -94.260
flat angles C4'-P-C4' energy: -115.990
flat angles P-C4'-P energy: -81.063
tors. eta vs tors. theta energy: -153.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1720.983480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.983480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.983480 (E_RNA)
where:
Base-Base interactions energy: -1221.918
where: short stacking energy: -489.216
Base-Backbone interact. energy: -2.635
local terms energy: -496.431202
where:
bonds (distance) C4'-P energy: -82.448
bonds (distance) P-C4' energy: -84.687
flat angles C4'-P-C4' energy: -106.216
flat angles P-C4'-P energy: -83.145
tors. eta vs tors. theta energy: -139.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1701.797204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.797204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.797204 (E_RNA)
where:
Base-Base interactions energy: -1210.856
where: short stacking energy: -522.295
Base-Backbone interact. energy: -1.562
local terms energy: -489.378727
where:
bonds (distance) C4'-P energy: -85.100
bonds (distance) P-C4' energy: -70.369
flat angles C4'-P-C4' energy: -108.624
flat angles P-C4'-P energy: -59.936
tors. eta vs tors. theta energy: -165.350
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: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1649.691077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.691077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.691077 (E_RNA)
where:
Base-Base interactions energy: -1150.884
where: short stacking energy: -485.215
Base-Backbone interact. energy: -0.880
local terms energy: -497.927628
where:
bonds (distance) C4'-P energy: -93.056
bonds (distance) P-C4' energy: -88.951
flat angles C4'-P-C4' energy: -108.829
flat angles P-C4'-P energy: -67.701
tors. eta vs tors. theta energy: -139.391
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: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1537.120913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.120913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.120913 (E_RNA)
where:
Base-Base interactions energy: -1097.559
where: short stacking energy: -468.812
Base-Backbone interact. energy: -1.017
local terms energy: -438.544849
where:
bonds (distance) C4'-P energy: -64.926
bonds (distance) P-C4' energy: -73.442
flat angles C4'-P-C4' energy: -102.944
flat angles P-C4'-P energy: -65.728
tors. eta vs tors. theta energy: -131.505
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: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1481.483669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.483669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.483669 (E_RNA)
where:
Base-Base interactions energy: -1013.698
where: short stacking energy: -430.117
Base-Backbone interact. energy: 0.043
local terms energy: -467.828158
where:
bonds (distance) C4'-P energy: -82.194
bonds (distance) P-C4' energy: -91.302
flat angles C4'-P-C4' energy: -90.755
flat angles P-C4'-P energy: -68.300
tors. eta vs tors. theta energy: -135.277
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: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1232.451721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.451721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.451721 (E_RNA)
where:
Base-Base interactions energy: -835.699
where: short stacking energy: -336.704
Base-Backbone interact. energy: 1.017
local terms energy: -397.769964
where:
bonds (distance) C4'-P energy: -74.079
bonds (distance) P-C4' energy: -75.226
flat angles C4'-P-C4' energy: -98.877
flat angles P-C4'-P energy: -55.560
tors. eta vs tors. theta energy: -94.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -949.320836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.320836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.320836 (E_RNA)
where:
Base-Base interactions energy: -604.427
where: short stacking energy: -267.770
Base-Backbone interact. energy: 2.228
local terms energy: -347.121441
where:
bonds (distance) C4'-P energy: -74.130
bonds (distance) P-C4' energy: -93.730
flat angles C4'-P-C4' energy: -71.318
flat angles P-C4'-P energy: -45.127
tors. eta vs tors. theta energy: -62.817
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: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -836.101826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.101826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.101826 (E_RNA)
where:
Base-Base interactions energy: -518.870
where: short stacking energy: -238.992
Base-Backbone interact. energy: 0.312
local terms energy: -317.543895
where:
bonds (distance) C4'-P energy: -91.487
bonds (distance) P-C4' energy: -70.348
flat angles C4'-P-C4' energy: -75.771
flat angles P-C4'-P energy: -47.117
tors. eta vs tors. theta energy: -32.822
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: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1842.866102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.866102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.866102 (E_RNA)
where:
Base-Base interactions energy: -1304.199
where: short stacking energy: -534.352
Base-Backbone interact. energy: -3.658
local terms energy: -535.009835
where:
bonds (distance) C4'-P energy: -95.075
bonds (distance) P-C4' energy: -92.701
flat angles C4'-P-C4' energy: -114.126
flat angles P-C4'-P energy: -82.946
tors. eta vs tors. theta energy: -150.162
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: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1802.265348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.265348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.265348 (E_RNA)
where:
Base-Base interactions energy: -1253.315
where: short stacking energy: -527.374
Base-Backbone interact. energy: 0.023
local terms energy: -548.973148
where:
bonds (distance) C4'-P energy: -94.800
bonds (distance) P-C4' energy: -102.768
flat angles C4'-P-C4' energy: -115.599
flat angles P-C4'-P energy: -81.739
tors. eta vs tors. theta energy: -154.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1729.002263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.002263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.002263 (E_RNA)
where:
Base-Base interactions energy: -1220.516
where: short stacking energy: -495.856
Base-Backbone interact. energy: -0.920
local terms energy: -507.565577
where:
bonds (distance) C4'-P energy: -81.269
bonds (distance) P-C4' energy: -98.148
flat angles C4'-P-C4' energy: -116.276
flat angles P-C4'-P energy: -73.516
tors. eta vs tors. theta energy: -138.357
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: 394
Temperature: 1.050000
Total energy: -1719.847655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.847655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.847655 (E_RNA)
where:
Base-Base interactions energy: -1207.919
where: short stacking energy: -491.795
Base-Backbone interact. energy: -0.526
local terms energy: -511.402929
where:
bonds (distance) C4'-P energy: -79.493
bonds (distance) P-C4' energy: -89.938
flat angles C4'-P-C4' energy: -109.444
flat angles P-C4'-P energy: -75.599
tors. eta vs tors. theta energy: -156.929
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: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1636.075763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.075763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.075763 (E_RNA)
where:
Base-Base interactions energy: -1163.312
where: short stacking energy: -470.219
Base-Backbone interact. energy: -1.115
local terms energy: -471.649709
where:
bonds (distance) C4'-P energy: -91.453
bonds (distance) P-C4' energy: -75.257
flat angles C4'-P-C4' energy: -106.266
flat angles P-C4'-P energy: -63.990
tors. eta vs tors. theta energy: -134.684
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: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1557.462001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.462001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.462001 (E_RNA)
where:
Base-Base interactions energy: -1095.363
where: short stacking energy: -468.899
Base-Backbone interact. energy: -2.705
local terms energy: -459.394392
where:
bonds (distance) C4'-P energy: -94.661
bonds (distance) P-C4' energy: -83.322
flat angles C4'-P-C4' energy: -93.854
flat angles P-C4'-P energy: -61.714
tors. eta vs tors. theta energy: -125.843
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: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1504.664736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.664736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.664736 (E_RNA)
where:
Base-Base interactions energy: -1051.520
where: short stacking energy: -454.773
Base-Backbone interact. energy: 2.382
local terms energy: -455.527183
where:
bonds (distance) C4'-P energy: -89.900
bonds (distance) P-C4' energy: -82.954
flat angles C4'-P-C4' energy: -99.681
flat angles P-C4'-P energy: -67.284
tors. eta vs tors. theta energy: -115.707
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: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1275.508671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.508671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.508671 (E_RNA)
where:
Base-Base interactions energy: -891.186
where: short stacking energy: -401.158
Base-Backbone interact. energy: 0.425
local terms energy: -384.748046
where:
bonds (distance) C4'-P energy: -76.730
bonds (distance) P-C4' energy: -68.170
flat angles C4'-P-C4' energy: -75.941
flat angles P-C4'-P energy: -59.478
tors. eta vs tors. theta energy: -104.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -981.685610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.685610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.685610 (E_RNA)
where:
Base-Base interactions energy: -645.836
where: short stacking energy: -271.805
Base-Backbone interact. energy: 4.409
local terms energy: -340.258136
where:
bonds (distance) C4'-P energy: -85.435
bonds (distance) P-C4' energy: -87.962
flat angles C4'-P-C4' energy: -83.144
flat angles P-C4'-P energy: -41.398
tors. eta vs tors. theta energy: -42.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -831.335071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.335071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.335071 (E_RNA)
where:
Base-Base interactions energy: -555.377
where: short stacking energy: -230.591
Base-Backbone interact. energy: 4.691
local terms energy: -280.649081
where:
bonds (distance) C4'-P energy: -73.829
bonds (distance) P-C4' energy: -84.544
flat angles C4'-P-C4' energy: -64.022
flat angles P-C4'-P energy: -25.965
tors. eta vs tors. theta energy: -32.287
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: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1843.607424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.607424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.607424 (E_RNA)
where:
Base-Base interactions energy: -1301.664
where: short stacking energy: -534.998
Base-Backbone interact. energy: -0.176
local terms energy: -541.767978
where:
bonds (distance) C4'-P energy: -76.871
bonds (distance) P-C4' energy: -103.879
flat angles C4'-P-C4' energy: -121.667
flat angles P-C4'-P energy: -84.165
tors. eta vs tors. theta energy: -155.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1805.185076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.185076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.185076 (E_RNA)
where:
Base-Base interactions energy: -1264.183
where: short stacking energy: -532.539
Base-Backbone interact. energy: -2.683
local terms energy: -538.319296
where:
bonds (distance) C4'-P energy: -87.529
bonds (distance) P-C4' energy: -103.225
flat angles C4'-P-C4' energy: -116.272
flat angles P-C4'-P energy: -74.978
tors. eta vs tors. theta energy: -156.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1720.180201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.180201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.180201 (E_RNA)
where:
Base-Base interactions energy: -1225.103
where: short stacking energy: -504.818
Base-Backbone interact. energy: -2.372
local terms energy: -492.704439
where:
bonds (distance) C4'-P energy: -87.996
bonds (distance) P-C4' energy: -90.954
flat angles C4'-P-C4' energy: -110.312
flat angles P-C4'-P energy: -66.923
tors. eta vs tors. theta energy: -136.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1730.633036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.633036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.633036 (E_RNA)
where:
Base-Base interactions energy: -1220.879
where: short stacking energy: -501.636
Base-Backbone interact. energy: -1.021
local terms energy: -508.733610
where:
bonds (distance) C4'-P energy: -88.101
bonds (distance) P-C4' energy: -94.678
flat angles C4'-P-C4' energy: -106.503
flat angles P-C4'-P energy: -75.222
tors. eta vs tors. theta energy: -144.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1625.272222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.272222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.272222 (E_RNA)
where:
Base-Base interactions energy: -1132.535
where: short stacking energy: -469.311
Base-Backbone interact. energy: -2.061
local terms energy: -490.676099
where:
bonds (distance) C4'-P energy: -91.058
bonds (distance) P-C4' energy: -85.022
flat angles C4'-P-C4' energy: -106.981
flat angles P-C4'-P energy: -71.074
tors. eta vs tors. theta energy: -136.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1564.940183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.940183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.940183 (E_RNA)
where:
Base-Base interactions energy: -1137.831
where: short stacking energy: -474.950
Base-Backbone interact. energy: -0.320
local terms energy: -426.788862
where:
bonds (distance) C4'-P energy: -67.469
bonds (distance) P-C4' energy: -79.569
flat angles C4'-P-C4' energy: -94.133
flat angles P-C4'-P energy: -59.772
tors. eta vs tors. theta energy: -125.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1502.395467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.395467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.395467 (E_RNA)
where:
Base-Base interactions energy: -1048.064
where: short stacking energy: -439.289
Base-Backbone interact. energy: 2.756
local terms energy: -457.087376
where:
bonds (distance) C4'-P energy: -88.375
bonds (distance) P-C4' energy: -91.084
flat angles C4'-P-C4' energy: -92.715
flat angles P-C4'-P energy: -63.826
tors. eta vs tors. theta energy: -121.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1270.940334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.940334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.940334 (E_RNA)
where:
Base-Base interactions energy: -840.415
where: short stacking energy: -371.252
Base-Backbone interact. energy: -0.362
local terms energy: -430.163514
where:
bonds (distance) C4'-P energy: -77.700
bonds (distance) P-C4' energy: -93.482
flat angles C4'-P-C4' energy: -96.794
flat angles P-C4'-P energy: -53.344
tors. eta vs tors. theta energy: -108.844
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: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -964.887107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.887107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.887107 (E_RNA)
where:
Base-Base interactions energy: -654.843
where: short stacking energy: -270.836
Base-Backbone interact. energy: -3.351
local terms energy: -306.693840
where:
bonds (distance) C4'-P energy: -63.551
bonds (distance) P-C4' energy: -73.438
flat angles C4'-P-C4' energy: -80.100
flat angles P-C4'-P energy: -38.363
tors. eta vs tors. theta energy: -51.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -792.459861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.459861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.459861 (E_RNA)
where:
Base-Base interactions energy: -482.760
where: short stacking energy: -232.688
Base-Backbone interact. energy: 2.637
local terms energy: -312.336604
where:
bonds (distance) C4'-P energy: -85.087
bonds (distance) P-C4' energy: -75.598
flat angles C4'-P-C4' energy: -83.005
flat angles P-C4'-P energy: -36.140
tors. eta vs tors. theta energy: -32.507
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: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1851.448927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.448927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.448927 (E_RNA)
where:
Base-Base interactions energy: -1325.239
where: short stacking energy: -543.156
Base-Backbone interact. energy: -0.290
local terms energy: -525.919521
where:
bonds (distance) C4'-P energy: -83.792
bonds (distance) P-C4' energy: -89.014
flat angles C4'-P-C4' energy: -109.808
flat angles P-C4'-P energy: -87.961
tors. eta vs tors. theta energy: -155.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1810.180787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.180787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.180787 (E_RNA)
where:
Base-Base interactions energy: -1275.973
where: short stacking energy: -528.707
Base-Backbone interact. energy: -1.796
local terms energy: -532.411832
where:
bonds (distance) C4'-P energy: -95.144
bonds (distance) P-C4' energy: -96.463
flat angles C4'-P-C4' energy: -108.225
flat angles P-C4'-P energy: -82.803
tors. eta vs tors. theta energy: -149.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1736.941991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.941991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.941991 (E_RNA)
where:
Base-Base interactions energy: -1215.932
where: short stacking energy: -504.359
Base-Backbone interact. energy: -1.094
local terms energy: -519.915607
where:
bonds (distance) C4'-P energy: -101.559
bonds (distance) P-C4' energy: -98.781
flat angles C4'-P-C4' energy: -108.796
flat angles P-C4'-P energy: -71.139
tors. eta vs tors. theta energy: -139.641
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: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1723.780510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.780510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.780510 (E_RNA)
where:
Base-Base interactions energy: -1216.915
where: short stacking energy: -500.221
Base-Backbone interact. energy: -2.845
local terms energy: -504.020279
where:
bonds (distance) C4'-P energy: -95.285
bonds (distance) P-C4' energy: -86.974
flat angles C4'-P-C4' energy: -102.589
flat angles P-C4'-P energy: -65.694
tors. eta vs tors. theta energy: -153.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1647.480799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.480799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.480799 (E_RNA)
where:
Base-Base interactions energy: -1163.924
where: short stacking energy: -477.065
Base-Backbone interact. energy: -1.681
local terms energy: -481.875680
where:
bonds (distance) C4'-P energy: -92.200
bonds (distance) P-C4' energy: -87.830
flat angles C4'-P-C4' energy: -104.631
flat angles P-C4'-P energy: -70.242
tors. eta vs tors. theta energy: -126.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1557.131955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.131955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.131955 (E_RNA)
where:
Base-Base interactions energy: -1073.159
where: short stacking energy: -445.017
Base-Backbone interact. energy: -0.827
local terms energy: -483.146209
where:
bonds (distance) C4'-P energy: -83.207
bonds (distance) P-C4' energy: -98.468
flat angles C4'-P-C4' energy: -98.249
flat angles P-C4'-P energy: -66.078
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: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1480.821424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.821424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.821424 (E_RNA)
where:
Base-Base interactions energy: -1059.126
where: short stacking energy: -442.702
Base-Backbone interact. energy: -2.200
local terms energy: -419.495136
where:
bonds (distance) C4'-P energy: -70.345
bonds (distance) P-C4' energy: -70.141
flat angles C4'-P-C4' energy: -88.704
flat angles P-C4'-P energy: -68.093
tors. eta vs tors. theta energy: -122.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1298.430656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.430656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.430656 (E_RNA)
where:
Base-Base interactions energy: -898.139
where: short stacking energy: -376.586
Base-Backbone interact. energy: -0.778
local terms energy: -399.513822
where:
bonds (distance) C4'-P energy: -64.293
bonds (distance) P-C4' energy: -76.164
flat angles C4'-P-C4' energy: -97.473
flat angles P-C4'-P energy: -50.800
tors. eta vs tors. theta energy: -110.783
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: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1028.656376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.656376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.656376 (E_RNA)
where:
Base-Base interactions energy: -680.731
where: short stacking energy: -315.931
Base-Backbone interact. energy: -2.259
local terms energy: -345.665944
where:
bonds (distance) C4'-P energy: -63.667
bonds (distance) P-C4' energy: -82.176
flat angles C4'-P-C4' energy: -73.067
flat angles P-C4'-P energy: -60.484
tors. eta vs tors. theta energy: -66.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -823.164616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.164616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.164616 (E_RNA)
where:
Base-Base interactions energy: -518.261
where: short stacking energy: -253.275
Base-Backbone interact. energy: -2.823
local terms energy: -302.080490
where:
bonds (distance) C4'-P energy: -65.492
bonds (distance) P-C4' energy: -82.699
flat angles C4'-P-C4' energy: -72.453
flat angles P-C4'-P energy: -44.273
tors. eta vs tors. theta energy: -37.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1827.834535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.834535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.834535 (E_RNA)
where:
Base-Base interactions energy: -1281.210
where: short stacking energy: -547.774
Base-Backbone interact. energy: -1.680
local terms energy: -544.944408
where:
bonds (distance) C4'-P energy: -96.026
bonds (distance) P-C4' energy: -96.080
flat angles C4'-P-C4' energy: -116.878
flat angles P-C4'-P energy: -84.303
tors. eta vs tors. theta energy: -151.658
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: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1802.494198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.494198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.494198 (E_RNA)
where:
Base-Base interactions energy: -1263.888
where: short stacking energy: -527.672
Base-Backbone interact. energy: -0.916
local terms energy: -537.689777
where:
bonds (distance) C4'-P energy: -95.539
bonds (distance) P-C4' energy: -94.289
flat angles C4'-P-C4' energy: -118.385
flat angles P-C4'-P energy: -79.883
tors. eta vs tors. theta energy: -149.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1774.770303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.770303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.770303 (E_RNA)
where:
Base-Base interactions energy: -1239.435
where: short stacking energy: -520.074
Base-Backbone interact. energy: -2.985
local terms energy: -532.350117
where:
bonds (distance) C4'-P energy: -101.801
bonds (distance) P-C4' energy: -98.921
flat angles C4'-P-C4' energy: -102.479
flat angles P-C4'-P energy: -82.017
tors. eta vs tors. theta energy: -147.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1695.070499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.070499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.070499 (E_RNA)
where:
Base-Base interactions energy: -1200.174
where: short stacking energy: -504.100
Base-Backbone interact. energy: -1.119
local terms energy: -493.777213
where:
bonds (distance) C4'-P energy: -86.643
bonds (distance) P-C4' energy: -88.862
flat angles C4'-P-C4' energy: -98.632
flat angles P-C4'-P energy: -70.759
tors. eta vs tors. theta energy: -148.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1685.290533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.290533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.290533 (E_RNA)
where:
Base-Base interactions energy: -1192.811
where: short stacking energy: -484.229
Base-Backbone interact. energy: 3.187
local terms energy: -495.665823
where:
bonds (distance) C4'-P energy: -88.026
bonds (distance) P-C4' energy: -84.284
flat angles C4'-P-C4' energy: -108.890
flat angles P-C4'-P energy: -80.809
tors. eta vs tors. theta energy: -133.656
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: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1535.798100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.798100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.798100 (E_RNA)
where:
Base-Base interactions energy: -1088.373
where: short stacking energy: -436.212
Base-Backbone interact. energy: 0.944
local terms energy: -448.369028
where:
bonds (distance) C4'-P energy: -74.830
bonds (distance) P-C4' energy: -83.193
flat angles C4'-P-C4' energy: -90.830
flat angles P-C4'-P energy: -70.447
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: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1438.817490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.817490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.817490 (E_RNA)
where:
Base-Base interactions energy: -1017.635
where: short stacking energy: -410.814
Base-Backbone interact. energy: -0.806
local terms energy: -420.375956
where:
bonds (distance) C4'-P energy: -67.483
bonds (distance) P-C4' energy: -83.115
flat angles C4'-P-C4' energy: -91.082
flat angles P-C4'-P energy: -74.773
tors. eta vs tors. theta energy: -103.923
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: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1280.626851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.626851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.626851 (E_RNA)
where:
Base-Base interactions energy: -889.934
where: short stacking energy: -369.990
Base-Backbone interact. energy: -1.388
local terms energy: -389.304442
where:
bonds (distance) C4'-P energy: -58.148
bonds (distance) P-C4' energy: -89.138
flat angles C4'-P-C4' energy: -84.090
flat angles P-C4'-P energy: -57.435
tors. eta vs tors. theta energy: -100.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1028.624850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.624850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.624850 (E_RNA)
where:
Base-Base interactions energy: -667.129
where: short stacking energy: -294.723
Base-Backbone interact. energy: -1.135
local terms energy: -360.360776
where:
bonds (distance) C4'-P energy: -72.630
bonds (distance) P-C4' energy: -85.334
flat angles C4'-P-C4' energy: -74.944
flat angles P-C4'-P energy: -52.138
tors. eta vs tors. theta energy: -75.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -794.782577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.782577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.782577 (E_RNA)
where:
Base-Base interactions energy: -508.011
where: short stacking energy: -219.840
Base-Backbone interact. energy: -0.723
local terms energy: -286.048472
where:
bonds (distance) C4'-P energy: -73.317
bonds (distance) P-C4' energy: -74.146
flat angles C4'-P-C4' energy: -83.965
flat angles P-C4'-P energy: -35.374
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1826.503109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.503109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.503109 (E_RNA)
where:
Base-Base interactions energy: -1287.493
where: short stacking energy: -534.670
Base-Backbone interact. energy: -3.704
local terms energy: -535.305987
where:
bonds (distance) C4'-P energy: -99.022
bonds (distance) P-C4' energy: -96.163
flat angles C4'-P-C4' energy: -114.697
flat angles P-C4'-P energy: -79.547
tors. eta vs tors. theta energy: -145.877
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: 398
Temperature: 0.950000
Total energy: -1826.953800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.953800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.953800 (E_RNA)
where:
Base-Base interactions energy: -1281.939
where: short stacking energy: -530.923
Base-Backbone interact. energy: -2.086
local terms energy: -542.928361
where:
bonds (distance) C4'-P energy: -99.269
bonds (distance) P-C4' energy: -96.736
flat angles C4'-P-C4' energy: -113.009
flat angles P-C4'-P energy: -82.397
tors. eta vs tors. theta energy: -151.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1785.693282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.693282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.693282 (E_RNA)
where:
Base-Base interactions energy: -1236.912
where: short stacking energy: -529.503
Base-Backbone interact. energy: -0.761
local terms energy: -548.020721
where:
bonds (distance) C4'-P energy: -87.240
bonds (distance) P-C4' energy: -107.905
flat angles C4'-P-C4' energy: -112.346
flat angles P-C4'-P energy: -80.344
tors. eta vs tors. theta energy: -160.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1726.929862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.929862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.929862 (E_RNA)
where:
Base-Base interactions energy: -1203.419
where: short stacking energy: -489.466
Base-Backbone interact. energy: -2.445
local terms energy: -521.065530
where:
bonds (distance) C4'-P energy: -93.130
bonds (distance) P-C4' energy: -91.566
flat angles C4'-P-C4' energy: -113.736
flat angles P-C4'-P energy: -73.397
tors. eta vs tors. theta energy: -149.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1607.215772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.215772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.215772 (E_RNA)
where:
Base-Base interactions energy: -1114.673
where: short stacking energy: -469.323
Base-Backbone interact. energy: -3.604
local terms energy: -488.938251
where:
bonds (distance) C4'-P energy: -86.219
bonds (distance) P-C4' energy: -93.524
flat angles C4'-P-C4' energy: -107.954
flat angles P-C4'-P energy: -70.987
tors. eta vs tors. theta energy: -130.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1581.397561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.397561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.397561 (E_RNA)
where:
Base-Base interactions energy: -1105.531
where: short stacking energy: -459.834
Base-Backbone interact. energy: 1.206
local terms energy: -477.073305
where:
bonds (distance) C4'-P energy: -89.296
bonds (distance) P-C4' energy: -83.897
flat angles C4'-P-C4' energy: -94.483
flat angles P-C4'-P energy: -77.521
tors. eta vs tors. theta energy: -131.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1447.314669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.314669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.314669 (E_RNA)
where:
Base-Base interactions energy: -997.921
where: short stacking energy: -405.742
Base-Backbone interact. energy: -2.199
local terms energy: -447.194829
where:
bonds (distance) C4'-P energy: -84.606
bonds (distance) P-C4' energy: -86.288
flat angles C4'-P-C4' energy: -93.817
flat angles P-C4'-P energy: -66.831
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: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1288.261042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.261042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.261042 (E_RNA)
where:
Base-Base interactions energy: -886.306
where: short stacking energy: -373.804
Base-Backbone interact. energy: -3.030
local terms energy: -398.924573
where:
bonds (distance) C4'-P energy: -88.563
bonds (distance) P-C4' energy: -68.611
flat angles C4'-P-C4' energy: -82.260
flat angles P-C4'-P energy: -62.282
tors. eta vs tors. theta energy: -97.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -986.275862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.275862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.275862 (E_RNA)
where:
Base-Base interactions energy: -633.071
where: short stacking energy: -283.636
Base-Backbone interact. energy: -0.020
local terms energy: -353.184933
where:
bonds (distance) C4'-P energy: -69.385
bonds (distance) P-C4' energy: -84.645
flat angles C4'-P-C4' energy: -90.637
flat angles P-C4'-P energy: -44.326
tors. eta vs tors. theta energy: -64.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -800.846071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.846071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.846071 (E_RNA)
where:
Base-Base interactions energy: -514.918
where: short stacking energy: -214.770
Base-Backbone interact. energy: 2.706
local terms energy: -288.633715
where:
bonds (distance) C4'-P energy: -63.058
bonds (distance) P-C4' energy: -95.092
flat angles C4'-P-C4' energy: -62.620
flat angles P-C4'-P energy: -37.949
tors. eta vs tors. theta energy: -29.915
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: 1, replica: 6
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1823.750330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.750330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.750330 (E_RNA)
where:
Base-Base interactions energy: -1285.098
where: short stacking energy: -539.413
Base-Backbone interact. energy: -1.576
local terms energy: -537.076119
where:
bonds (distance) C4'-P energy: -89.830
bonds (distance) P-C4' energy: -102.048
flat angles C4'-P-C4' energy: -108.268
flat angles P-C4'-P energy: -92.069
tors. eta vs tors. theta energy: -144.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1810.451447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.451447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.451447 (E_RNA)
where:
Base-Base interactions energy: -1281.779
where: short stacking energy: -527.775
Base-Backbone interact. energy: 0.126
local terms energy: -528.798904
where:
bonds (distance) C4'-P energy: -97.777
bonds (distance) P-C4' energy: -95.510
flat angles C4'-P-C4' energy: -107.557
flat angles P-C4'-P energy: -74.509
tors. eta vs tors. theta energy: -153.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1757.156952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.156952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.156952 (E_RNA)
where:
Base-Base interactions energy: -1229.539
where: short stacking energy: -533.998
Base-Backbone interact. energy: -2.543
local terms energy: -525.074685
where:
bonds (distance) C4'-P energy: -95.712
bonds (distance) P-C4' energy: -86.777
flat angles C4'-P-C4' energy: -102.453
flat angles P-C4'-P energy: -77.873
tors. eta vs tors. theta energy: -162.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1720.753927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.753927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.753927 (E_RNA)
where:
Base-Base interactions energy: -1216.619
where: short stacking energy: -519.834
Base-Backbone interact. energy: -1.102
local terms energy: -503.033034
where:
bonds (distance) C4'-P energy: -89.895
bonds (distance) P-C4' energy: -92.826
flat angles C4'-P-C4' energy: -105.088
flat angles P-C4'-P energy: -69.747
tors. eta vs tors. theta energy: -145.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1617.397029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.397029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.397029 (E_RNA)
where:
Base-Base interactions energy: -1139.290
where: short stacking energy: -465.305
Base-Backbone interact. energy: -1.684
local terms energy: -476.423422
where:
bonds (distance) C4'-P energy: -82.238
bonds (distance) P-C4' energy: -95.241
flat angles C4'-P-C4' energy: -107.619
flat angles P-C4'-P energy: -67.731
tors. eta vs tors. theta energy: -123.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1602.122513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.122513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.122513 (E_RNA)
where:
Base-Base interactions energy: -1156.419
where: short stacking energy: -466.822
Base-Backbone interact. energy: 0.733
local terms energy: -446.436315
where:
bonds (distance) C4'-P energy: -73.190
bonds (distance) P-C4' energy: -76.106
flat angles C4'-P-C4' energy: -96.161
flat angles P-C4'-P energy: -69.458
tors. eta vs tors. theta energy: -131.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1495.078512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.078512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.078512 (E_RNA)
where:
Base-Base interactions energy: -1063.929
where: short stacking energy: -437.109
Base-Backbone interact. energy: 1.306
local terms energy: -432.455453
where:
bonds (distance) C4'-P energy: -73.988
bonds (distance) P-C4' energy: -87.421
flat angles C4'-P-C4' energy: -91.645
flat angles P-C4'-P energy: -58.918
tors. eta vs tors. theta energy: -120.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1251.459373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.459373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.459373 (E_RNA)
where:
Base-Base interactions energy: -845.430
where: short stacking energy: -356.262
Base-Backbone interact. energy: 0.554
local terms energy: -406.582654
where:
bonds (distance) C4'-P energy: -89.365
bonds (distance) P-C4' energy: -74.423
flat angles C4'-P-C4' energy: -91.500
flat angles P-C4'-P energy: -59.750
tors. eta vs tors. theta energy: -91.544
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: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -943.465931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.465931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.465931 (E_RNA)
where:
Base-Base interactions energy: -617.183
where: short stacking energy: -280.225
Base-Backbone interact. energy: -0.121
local terms energy: -326.161782
where:
bonds (distance) C4'-P energy: -78.319
bonds (distance) P-C4' energy: -65.102
flat angles C4'-P-C4' energy: -76.641
flat angles P-C4'-P energy: -48.645
tors. eta vs tors. theta energy: -57.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -785.301544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.301544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.301544 (E_RNA)
where:
Base-Base interactions energy: -494.251
where: short stacking energy: -234.120
Base-Backbone interact. energy: -1.935
local terms energy: -289.116155
where:
bonds (distance) C4'-P energy: -74.554
bonds (distance) P-C4' energy: -76.700
flat angles C4'-P-C4' energy: -71.350
flat angles P-C4'-P energy: -41.474
tors. eta vs tors. theta energy: -25.037
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: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1847.091561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.091561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.091561 (E_RNA)
where:
Base-Base interactions energy: -1299.701
where: short stacking energy: -541.763
Base-Backbone interact. energy: -1.759
local terms energy: -545.631651
where:
bonds (distance) C4'-P energy: -101.571
bonds (distance) P-C4' energy: -89.885
flat angles C4'-P-C4' energy: -120.921
flat angles P-C4'-P energy: -75.062
tors. eta vs tors. theta energy: -158.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1801.046419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.046419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.046419 (E_RNA)
where:
Base-Base interactions energy: -1266.992
where: short stacking energy: -536.382
Base-Backbone interact. energy: -2.445
local terms energy: -531.609669
where:
bonds (distance) C4'-P energy: -93.358
bonds (distance) P-C4' energy: -92.668
flat angles C4'-P-C4' energy: -118.262
flat angles P-C4'-P energy: -83.542
tors. eta vs tors. theta energy: -143.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1755.904651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.904651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.904651 (E_RNA)
where:
Base-Base interactions energy: -1246.696
where: short stacking energy: -533.915
Base-Backbone interact. energy: -1.980
local terms energy: -507.228479
where:
bonds (distance) C4'-P energy: -83.246
bonds (distance) P-C4' energy: -88.808
flat angles C4'-P-C4' energy: -103.016
flat angles P-C4'-P energy: -79.293
tors. eta vs tors. theta energy: -152.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1708.441965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.441965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.441965 (E_RNA)
where:
Base-Base interactions energy: -1182.966
where: short stacking energy: -498.796
Base-Backbone interact. energy: -0.133
local terms energy: -525.342549
where:
bonds (distance) C4'-P energy: -95.341
bonds (distance) P-C4' energy: -98.565
flat angles C4'-P-C4' energy: -113.978
flat angles P-C4'-P energy: -76.089
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: 5, replica: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1635.342391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.342391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.342391 (E_RNA)
where:
Base-Base interactions energy: -1146.578
where: short stacking energy: -470.981
Base-Backbone interact. energy: 1.477
local terms energy: -490.241140
where:
bonds (distance) C4'-P energy: -72.863
bonds (distance) P-C4' energy: -96.307
flat angles C4'-P-C4' energy: -108.937
flat angles P-C4'-P energy: -71.168
tors. eta vs tors. theta energy: -140.967
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: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1577.212709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.212709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.212709 (E_RNA)
where:
Base-Base interactions energy: -1146.532
where: short stacking energy: -453.173
Base-Backbone interact. energy: -2.166
local terms energy: -428.515024
where:
bonds (distance) C4'-P energy: -70.166
bonds (distance) P-C4' energy: -76.890
flat angles C4'-P-C4' energy: -97.481
flat angles P-C4'-P energy: -55.111
tors. eta vs tors. theta energy: -128.867
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: 7, replica: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1447.363963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.363963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.363963 (E_RNA)
where:
Base-Base interactions energy: -994.434
where: short stacking energy: -435.820
Base-Backbone interact. energy: -1.716
local terms energy: -451.213945
where:
bonds (distance) C4'-P energy: -74.648
bonds (distance) P-C4' energy: -102.715
flat angles C4'-P-C4' energy: -96.015
flat angles P-C4'-P energy: -65.286
tors. eta vs tors. theta energy: -112.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1209.270115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.270115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.270115 (E_RNA)
where:
Base-Base interactions energy: -807.971
where: short stacking energy: -355.215
Base-Backbone interact. energy: 0.579
local terms energy: -401.878352
where:
bonds (distance) C4'-P energy: -81.647
bonds (distance) P-C4' energy: -89.812
flat angles C4'-P-C4' energy: -87.472
flat angles P-C4'-P energy: -50.347
tors. eta vs tors. theta energy: -92.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -940.219872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.219872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.219872 (E_RNA)
where:
Base-Base interactions energy: -604.868
where: short stacking energy: -268.655
Base-Backbone interact. energy: 0.552
local terms energy: -335.904471
where:
bonds (distance) C4'-P energy: -88.201
bonds (distance) P-C4' energy: -77.541
flat angles C4'-P-C4' energy: -62.887
flat angles P-C4'-P energy: -54.509
tors. eta vs tors. theta energy: -52.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -815.092520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.092520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.092520 (E_RNA)
where:
Base-Base interactions energy: -490.580
where: short stacking energy: -216.533
Base-Backbone interact. energy: 2.235
local terms energy: -326.747400
where:
bonds (distance) C4'-P energy: -76.916
bonds (distance) P-C4' energy: -96.909
flat angles C4'-P-C4' energy: -76.813
flat angles P-C4'-P energy: -51.484
tors. eta vs tors. theta energy: -24.626
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: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1846.480124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.480124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.480124 (E_RNA)
where:
Base-Base interactions energy: -1307.386
where: short stacking energy: -543.696
Base-Backbone interact. energy: -2.960
local terms energy: -536.134045
where:
bonds (distance) C4'-P energy: -100.822
bonds (distance) P-C4' energy: -87.295
flat angles C4'-P-C4' energy: -116.420
flat angles P-C4'-P energy: -80.159
tors. eta vs tors. theta energy: -151.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1786.136493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.136493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.136493 (E_RNA)
where:
Base-Base interactions energy: -1278.071
where: short stacking energy: -543.911
Base-Backbone interact. energy: 0.585
local terms energy: -508.649928
where:
bonds (distance) C4'-P energy: -88.067
bonds (distance) P-C4' energy: -86.766
flat angles C4'-P-C4' energy: -114.936
flat angles P-C4'-P energy: -69.559
tors. eta vs tors. theta energy: -149.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1735.431845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.431845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.431845 (E_RNA)
where:
Base-Base interactions energy: -1230.465
where: short stacking energy: -496.875
Base-Backbone interact. energy: -1.782
local terms energy: -503.184581
where:
bonds (distance) C4'-P energy: -78.194
bonds (distance) P-C4' energy: -95.995
flat angles C4'-P-C4' energy: -110.849
flat angles P-C4'-P energy: -77.124
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: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1723.848629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.848629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.848629 (E_RNA)
where:
Base-Base interactions energy: -1225.335
where: short stacking energy: -520.265
Base-Backbone interact. energy: -3.109
local terms energy: -495.404039
where:
bonds (distance) C4'-P energy: -84.013
bonds (distance) P-C4' energy: -87.987
flat angles C4'-P-C4' energy: -106.551
flat angles P-C4'-P energy: -73.556
tors. eta vs tors. theta energy: -143.297
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: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1660.196209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.196209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.196209 (E_RNA)
where:
Base-Base interactions energy: -1186.596
where: short stacking energy: -492.185
Base-Backbone interact. energy: -1.282
local terms energy: -472.317563
where:
bonds (distance) C4'-P energy: -86.498
bonds (distance) P-C4' energy: -89.567
flat angles C4'-P-C4' energy: -95.579
flat angles P-C4'-P energy: -67.862
tors. eta vs tors. theta energy: -132.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1521.034619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.034619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.034619 (E_RNA)
where:
Base-Base interactions energy: -1081.404
where: short stacking energy: -438.971
Base-Backbone interact. energy: -1.065
local terms energy: -438.564946
where:
bonds (distance) C4'-P energy: -76.728
bonds (distance) P-C4' energy: -63.252
flat angles C4'-P-C4' energy: -99.931
flat angles P-C4'-P energy: -73.536
tors. eta vs tors. theta energy: -125.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1402.279469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.279469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.279469 (E_RNA)
where:
Base-Base interactions energy: -977.259
where: short stacking energy: -412.657
Base-Backbone interact. energy: -0.920
local terms energy: -424.099957
where:
bonds (distance) C4'-P energy: -75.656
bonds (distance) P-C4' energy: -80.494
flat angles C4'-P-C4' energy: -101.105
flat angles P-C4'-P energy: -62.714
tors. eta vs tors. theta energy: -104.130
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: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1190.614364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.614364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.614364 (E_RNA)
where:
Base-Base interactions energy: -808.417
where: short stacking energy: -330.244
Base-Backbone interact. energy: -3.234
local terms energy: -378.963450
where:
bonds (distance) C4'-P energy: -73.339
bonds (distance) P-C4' energy: -87.463
flat angles C4'-P-C4' energy: -88.381
flat angles P-C4'-P energy: -50.939
tors. eta vs tors. theta energy: -78.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -962.902598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.902598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.902598 (E_RNA)
where:
Base-Base interactions energy: -614.350
where: short stacking energy: -289.820
Base-Backbone interact. energy: 2.422
local terms energy: -350.974075
where:
bonds (distance) C4'-P energy: -69.107
bonds (distance) P-C4' energy: -82.497
flat angles C4'-P-C4' energy: -80.280
flat angles P-C4'-P energy: -57.522
tors. eta vs tors. theta energy: -61.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -858.622075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.622075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.622075 (E_RNA)
where:
Base-Base interactions energy: -560.695
where: short stacking energy: -226.761
Base-Backbone interact. energy: 0.367
local terms energy: -298.294335
where:
bonds (distance) C4'-P energy: -71.886
bonds (distance) P-C4' energy: -78.331
flat angles C4'-P-C4' energy: -70.589
flat angles P-C4'-P energy: -57.991
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1845.979684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.979684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.979684 (E_RNA)
where:
Base-Base interactions energy: -1296.511
where: short stacking energy: -543.769
Base-Backbone interact. energy: -1.957
local terms energy: -547.511016
where:
bonds (distance) C4'-P energy: -96.524
bonds (distance) P-C4' energy: -104.654
flat angles C4'-P-C4' energy: -112.013
flat angles P-C4'-P energy: -77.175
tors. eta vs tors. theta energy: -157.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1820.479491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.479491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.479491 (E_RNA)
where:
Base-Base interactions energy: -1293.012
where: short stacking energy: -537.994
Base-Backbone interact. energy: -2.500
local terms energy: -524.967368
where:
bonds (distance) C4'-P energy: -84.664
bonds (distance) P-C4' energy: -92.283
flat angles C4'-P-C4' energy: -117.475
flat angles P-C4'-P energy: -80.389
tors. eta vs tors. theta energy: -150.156
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: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1730.835281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.835281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.835281 (E_RNA)
where:
Base-Base interactions energy: -1205.882
where: short stacking energy: -500.997
Base-Backbone interact. energy: 0.446
local terms energy: -525.399680
where:
bonds (distance) C4'-P energy: -101.193
bonds (distance) P-C4' energy: -94.995
flat angles C4'-P-C4' energy: -107.429
flat angles P-C4'-P energy: -76.170
tors. eta vs tors. theta energy: -145.613
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: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1667.656097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.656097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.656097 (E_RNA)
where:
Base-Base interactions energy: -1165.804
where: short stacking energy: -480.106
Base-Backbone interact. energy: -0.709
local terms energy: -501.142768
where:
bonds (distance) C4'-P energy: -93.246
bonds (distance) P-C4' energy: -85.297
flat angles C4'-P-C4' energy: -104.732
flat angles P-C4'-P energy: -75.870
tors. eta vs tors. theta energy: -141.997
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: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1644.601404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.601404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.601404 (E_RNA)
where:
Base-Base interactions energy: -1168.350
where: short stacking energy: -472.217
Base-Backbone interact. energy: -1.749
local terms energy: -474.503154
where:
bonds (distance) C4'-P energy: -71.274
bonds (distance) P-C4' energy: -90.363
flat angles C4'-P-C4' energy: -104.699
flat angles P-C4'-P energy: -73.235
tors. eta vs tors. theta energy: -134.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1525.760645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.760645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.760645 (E_RNA)
where:
Base-Base interactions energy: -1059.307
where: short stacking energy: -445.414
Base-Backbone interact. energy: -2.124
local terms energy: -464.329884
where:
bonds (distance) C4'-P energy: -91.638
bonds (distance) P-C4' energy: -75.190
flat angles C4'-P-C4' energy: -105.892
flat angles P-C4'-P energy: -62.884
tors. eta vs tors. theta energy: -128.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1432.469796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.469796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.469796 (E_RNA)
where:
Base-Base interactions energy: -995.028
where: short stacking energy: -391.746
Base-Backbone interact. energy: -1.792
local terms energy: -435.649867
where:
bonds (distance) C4'-P energy: -78.025
bonds (distance) P-C4' energy: -93.458
flat angles C4'-P-C4' energy: -99.350
flat angles P-C4'-P energy: -56.136
tors. eta vs tors. theta energy: -108.682
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: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1231.873876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.873876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.873876 (E_RNA)
where:
Base-Base interactions energy: -858.853
where: short stacking energy: -356.625
Base-Backbone interact. energy: -2.590
local terms energy: -370.430846
where:
bonds (distance) C4'-P energy: -61.391
bonds (distance) P-C4' energy: -84.786
flat angles C4'-P-C4' energy: -80.290
flat angles P-C4'-P energy: -58.937
tors. eta vs tors. theta energy: -85.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -958.438849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.438849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.438849 (E_RNA)
where:
Base-Base interactions energy: -624.824
where: short stacking energy: -272.890
Base-Backbone interact. energy: 8.800
local terms energy: -342.415075
where:
bonds (distance) C4'-P energy: -84.701
bonds (distance) P-C4' energy: -89.130
flat angles C4'-P-C4' energy: -78.040
flat angles P-C4'-P energy: -31.422
tors. eta vs tors. theta energy: -59.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -801.376320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.376320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.376320 (E_RNA)
where:
Base-Base interactions energy: -508.137
where: short stacking energy: -222.466
Base-Backbone interact. energy: 0.789
local terms energy: -294.028434
where:
bonds (distance) C4'-P energy: -74.027
bonds (distance) P-C4' energy: -76.812
flat angles C4'-P-C4' energy: -75.311
flat angles P-C4'-P energy: -48.727
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1842.696466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.696466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.696466 (E_RNA)
where:
Base-Base interactions energy: -1312.104
where: short stacking energy: -543.013
Base-Backbone interact. energy: -2.006
local terms energy: -528.586223
where:
bonds (distance) C4'-P energy: -104.855
bonds (distance) P-C4' energy: -92.945
flat angles C4'-P-C4' energy: -104.013
flat angles P-C4'-P energy: -74.089
tors. eta vs tors. theta energy: -152.684
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: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1811.800582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.800582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.800582 (E_RNA)
where:
Base-Base interactions energy: -1289.971
where: short stacking energy: -540.441
Base-Backbone interact. energy: -0.852
local terms energy: -520.977939
where:
bonds (distance) C4'-P energy: -92.690
bonds (distance) P-C4' energy: -92.094
flat angles C4'-P-C4' energy: -106.643
flat angles P-C4'-P energy: -79.982
tors. eta vs tors. theta energy: -149.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1735.901825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.901825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.901825 (E_RNA)
where:
Base-Base interactions energy: -1209.859
where: short stacking energy: -505.582
Base-Backbone interact. energy: -0.453
local terms energy: -525.590040
where:
bonds (distance) C4'-P energy: -101.716
bonds (distance) P-C4' energy: -99.816
flat angles C4'-P-C4' energy: -103.674
flat angles P-C4'-P energy: -74.690
tors. eta vs tors. theta energy: -145.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1655.478777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.478777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.478777 (E_RNA)
where:
Base-Base interactions energy: -1169.659
where: short stacking energy: -489.747
Base-Backbone interact. energy: 2.794
local terms energy: -488.613577
where:
bonds (distance) C4'-P energy: -80.548
bonds (distance) P-C4' energy: -87.288
flat angles C4'-P-C4' energy: -113.231
flat angles P-C4'-P energy: -62.034
tors. eta vs tors. theta energy: -145.513
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: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1658.272546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.272546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.272546 (E_RNA)
where:
Base-Base interactions energy: -1182.786
where: short stacking energy: -489.975
Base-Backbone interact. energy: 1.110
local terms energy: -476.596112
where:
bonds (distance) C4'-P energy: -85.240
bonds (distance) P-C4' energy: -87.821
flat angles C4'-P-C4' energy: -109.126
flat angles P-C4'-P energy: -59.980
tors. eta vs tors. theta energy: -134.429
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: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1542.408023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.408023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.408023 (E_RNA)
where:
Base-Base interactions energy: -1087.706
where: short stacking energy: -444.892
Base-Backbone interact. energy: -2.559
local terms energy: -452.143036
where:
bonds (distance) C4'-P energy: -80.979
bonds (distance) P-C4' energy: -79.274
flat angles C4'-P-C4' energy: -100.114
flat angles P-C4'-P energy: -67.635
tors. eta vs tors. theta energy: -124.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1397.337125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.337125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.337125 (E_RNA)
where:
Base-Base interactions energy: -974.404
where: short stacking energy: -421.206
Base-Backbone interact. energy: 0.776
local terms energy: -423.709425
where:
bonds (distance) C4'-P energy: -79.966
bonds (distance) P-C4' energy: -70.884
flat angles C4'-P-C4' energy: -101.045
flat angles P-C4'-P energy: -62.929
tors. eta vs tors. theta energy: -108.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1246.661975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.661975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.661975 (E_RNA)
where:
Base-Base interactions energy: -862.214
where: short stacking energy: -358.207
Base-Backbone interact. energy: 2.906
local terms energy: -387.353918
where:
bonds (distance) C4'-P energy: -70.461
bonds (distance) P-C4' energy: -80.142
flat angles C4'-P-C4' energy: -92.997
flat angles P-C4'-P energy: -57.226
tors. eta vs tors. theta energy: -86.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -982.323379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.323379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.323379 (E_RNA)
where:
Base-Base interactions energy: -621.829
where: short stacking energy: -289.349
Base-Backbone interact. energy: -1.735
local terms energy: -358.759312
where:
bonds (distance) C4'-P energy: -79.833
bonds (distance) P-C4' energy: -91.922
flat angles C4'-P-C4' energy: -84.540
flat angles P-C4'-P energy: -39.406
tors. eta vs tors. theta energy: -63.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -771.316765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.316765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.316765 (E_RNA)
where:
Base-Base interactions energy: -495.578
where: short stacking energy: -249.005
Base-Backbone interact. energy: 3.267
local terms energy: -279.005659
where:
bonds (distance) C4'-P energy: -75.054
bonds (distance) P-C4' energy: -76.864
flat angles C4'-P-C4' energy: -70.171
flat angles P-C4'-P energy: -29.742
tors. eta vs tors. theta energy: -27.174
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: 404
Temperature: 0.900000
Total energy: -1840.906400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.906400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.906400 (E_RNA)
where:
Base-Base interactions energy: -1290.665
where: short stacking energy: -546.400
Base-Backbone interact. energy: -1.555
local terms energy: -548.686979
where:
bonds (distance) C4'-P energy: -89.432
bonds (distance) P-C4' energy: -108.662
flat angles C4'-P-C4' energy: -113.113
flat angles P-C4'-P energy: -78.381
tors. eta vs tors. theta energy: -159.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1808.475647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.475647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.475647 (E_RNA)
where:
Base-Base interactions energy: -1275.304
where: short stacking energy: -539.916
Base-Backbone interact. energy: -0.136
local terms energy: -533.035563
where:
bonds (distance) C4'-P energy: -97.761
bonds (distance) P-C4' energy: -102.333
flat angles C4'-P-C4' energy: -106.419
flat angles P-C4'-P energy: -77.657
tors. eta vs tors. theta energy: -148.866
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: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1727.916675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.916675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.916675 (E_RNA)
where:
Base-Base interactions energy: -1227.189
where: short stacking energy: -506.147
Base-Backbone interact. energy: -0.758
local terms energy: -499.969966
where:
bonds (distance) C4'-P energy: -86.644
bonds (distance) P-C4' energy: -94.368
flat angles C4'-P-C4' energy: -106.517
flat angles P-C4'-P energy: -68.661
tors. eta vs tors. theta energy: -143.780
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: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1686.138787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.138787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.138787 (E_RNA)
where:
Base-Base interactions energy: -1172.175
where: short stacking energy: -503.986
Base-Backbone interact. energy: -0.897
local terms energy: -513.067301
where:
bonds (distance) C4'-P energy: -95.986
bonds (distance) P-C4' energy: -99.965
flat angles C4'-P-C4' energy: -115.983
flat angles P-C4'-P energy: -60.754
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: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1630.426220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.426220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.426220 (E_RNA)
where:
Base-Base interactions energy: -1158.819
where: short stacking energy: -462.059
Base-Backbone interact. energy: -1.585
local terms energy: -470.021929
where:
bonds (distance) C4'-P energy: -93.520
bonds (distance) P-C4' energy: -72.755
flat angles C4'-P-C4' energy: -104.589
flat angles P-C4'-P energy: -64.299
tors. eta vs tors. theta energy: -134.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1539.683912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.683912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.683912 (E_RNA)
where:
Base-Base interactions energy: -1091.465
where: short stacking energy: -451.553
Base-Backbone interact. energy: -2.610
local terms energy: -445.609542
where:
bonds (distance) C4'-P energy: -83.442
bonds (distance) P-C4' energy: -81.921
flat angles C4'-P-C4' energy: -99.146
flat angles P-C4'-P energy: -55.853
tors. eta vs tors. theta energy: -125.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1393.917406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.917406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.917406 (E_RNA)
where:
Base-Base interactions energy: -957.975
where: short stacking energy: -405.074
Base-Backbone interact. energy: -3.446
local terms energy: -432.496922
where:
bonds (distance) C4'-P energy: -86.434
bonds (distance) P-C4' energy: -84.594
flat angles C4'-P-C4' energy: -99.905
flat angles P-C4'-P energy: -60.190
tors. eta vs tors. theta energy: -101.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1280.871457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.871457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.871457 (E_RNA)
where:
Base-Base interactions energy: -880.972
where: short stacking energy: -387.777
Base-Backbone interact. energy: -2.401
local terms energy: -397.498631
where:
bonds (distance) C4'-P energy: -79.033
bonds (distance) P-C4' energy: -70.896
flat angles C4'-P-C4' energy: -87.260
flat angles P-C4'-P energy: -60.068
tors. eta vs tors. theta energy: -100.241
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: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -962.433125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.433125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.433125 (E_RNA)
where:
Base-Base interactions energy: -617.588
where: short stacking energy: -288.672
Base-Backbone interact. energy: 1.154
local terms energy: -345.998774
where:
bonds (distance) C4'-P energy: -72.400
bonds (distance) P-C4' energy: -89.414
flat angles C4'-P-C4' energy: -84.629
flat angles P-C4'-P energy: -48.487
tors. eta vs tors. theta energy: -51.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -827.051785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.051785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.051785 (E_RNA)
where:
Base-Base interactions energy: -506.211
where: short stacking energy: -232.703
Base-Backbone interact. energy: 4.018
local terms energy: -324.858570
where:
bonds (distance) C4'-P energy: -75.957
bonds (distance) P-C4' energy: -83.014
flat angles C4'-P-C4' energy: -73.348
flat angles P-C4'-P energy: -57.995
tors. eta vs tors. theta energy: -34.544
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: 405
Temperature: 0.900000
Total energy: -1830.106435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.106435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.106435 (E_RNA)
where:
Base-Base interactions energy: -1279.379
where: short stacking energy: -543.507
Base-Backbone interact. energy: -1.821
local terms energy: -548.906451
where:
bonds (distance) C4'-P energy: -95.887
bonds (distance) P-C4' energy: -92.239
flat angles C4'-P-C4' energy: -116.780
flat angles P-C4'-P energy: -77.856
tors. eta vs tors. theta energy: -166.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1768.128449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.128449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.128449 (E_RNA)
where:
Base-Base interactions energy: -1257.204
where: short stacking energy: -527.243
Base-Backbone interact. energy: -5.714
local terms energy: -505.211231
where:
bonds (distance) C4'-P energy: -75.493
bonds (distance) P-C4' energy: -99.723
flat angles C4'-P-C4' energy: -113.225
flat angles P-C4'-P energy: -71.605
tors. eta vs tors. theta energy: -145.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1737.866302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.866302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.866302 (E_RNA)
where:
Base-Base interactions energy: -1235.430
where: short stacking energy: -509.319
Base-Backbone interact. energy: -1.636
local terms energy: -500.800280
where:
bonds (distance) C4'-P energy: -87.885
bonds (distance) P-C4' energy: -92.526
flat angles C4'-P-C4' energy: -108.439
flat angles P-C4'-P energy: -75.754
tors. eta vs tors. theta energy: -136.196
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: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1664.253699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.253699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.253699 (E_RNA)
where:
Base-Base interactions energy: -1156.393
where: short stacking energy: -507.025
Base-Backbone interact. energy: -2.646
local terms energy: -505.215534
where:
bonds (distance) C4'-P energy: -80.303
bonds (distance) P-C4' energy: -100.619
flat angles C4'-P-C4' energy: -107.653
flat angles P-C4'-P energy: -69.488
tors. eta vs tors. theta energy: -147.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1618.927449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.927449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.927449 (E_RNA)
where:
Base-Base interactions energy: -1126.659
where: short stacking energy: -461.624
Base-Backbone interact. energy: -0.754
local terms energy: -491.514459
where:
bonds (distance) C4'-P energy: -96.876
bonds (distance) P-C4' energy: -92.001
flat angles C4'-P-C4' energy: -104.659
flat angles P-C4'-P energy: -62.853
tors. eta vs tors. theta energy: -135.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1522.298976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.298976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.298976 (E_RNA)
where:
Base-Base interactions energy: -1075.387
where: short stacking energy: -454.905
Base-Backbone interact. energy: 2.797
local terms energy: -449.709074
where:
bonds (distance) C4'-P energy: -80.330
bonds (distance) P-C4' energy: -88.173
flat angles C4'-P-C4' energy: -84.196
flat angles P-C4'-P energy: -63.422
tors. eta vs tors. theta energy: -133.587
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: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1366.724940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.724940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.724940 (E_RNA)
where:
Base-Base interactions energy: -955.748
where: short stacking energy: -403.423
Base-Backbone interact. energy: -1.137
local terms energy: -409.840773
where:
bonds (distance) C4'-P energy: -73.167
bonds (distance) P-C4' energy: -84.611
flat angles C4'-P-C4' energy: -92.946
flat angles P-C4'-P energy: -50.166
tors. eta vs tors. theta energy: -108.951
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: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1281.439353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.439353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.439353 (E_RNA)
where:
Base-Base interactions energy: -891.646
where: short stacking energy: -359.176
Base-Backbone interact. energy: -2.722
local terms energy: -387.071262
where:
bonds (distance) C4'-P energy: -68.638
bonds (distance) P-C4' energy: -71.283
flat angles C4'-P-C4' energy: -88.399
flat angles P-C4'-P energy: -59.020
tors. eta vs tors. theta energy: -99.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -918.572867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.572867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.572867 (E_RNA)
where:
Base-Base interactions energy: -585.308
where: short stacking energy: -254.783
Base-Backbone interact. energy: -1.823
local terms energy: -331.442249
where:
bonds (distance) C4'-P energy: -77.557
bonds (distance) P-C4' energy: -79.346
flat angles C4'-P-C4' energy: -88.838
flat angles P-C4'-P energy: -49.465
tors. eta vs tors. theta energy: -36.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -828.871390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.871390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.871390 (E_RNA)
where:
Base-Base interactions energy: -518.786
where: short stacking energy: -228.395
Base-Backbone interact. energy: -1.658
local terms energy: -308.427561
where:
bonds (distance) C4'-P energy: -66.422
bonds (distance) P-C4' energy: -80.676
flat angles C4'-P-C4' energy: -81.092
flat angles P-C4'-P energy: -51.207
tors. eta vs tors. theta energy: -29.031
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: 406
Temperature: 0.900000
Total energy: -1843.243331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.243331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.243331 (E_RNA)
where:
Base-Base interactions energy: -1285.480
where: short stacking energy: -542.741
Base-Backbone interact. energy: -2.306
local terms energy: -555.457087
where:
bonds (distance) C4'-P energy: -95.794
bonds (distance) P-C4' energy: -96.265
flat angles C4'-P-C4' energy: -114.358
flat angles P-C4'-P energy: -85.462
tors. eta vs tors. theta energy: -163.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1798.107125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.107125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.107125 (E_RNA)
where:
Base-Base interactions energy: -1273.426
where: short stacking energy: -518.118
Base-Backbone interact. energy: -2.643
local terms energy: -522.037906
where:
bonds (distance) C4'-P energy: -92.044
bonds (distance) P-C4' energy: -105.514
flat angles C4'-P-C4' energy: -107.795
flat angles P-C4'-P energy: -77.520
tors. eta vs tors. theta energy: -139.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1746.181502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.181502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.181502 (E_RNA)
where:
Base-Base interactions energy: -1227.363
where: short stacking energy: -524.812
Base-Backbone interact. energy: -3.314
local terms energy: -515.504380
where:
bonds (distance) C4'-P energy: -86.151
bonds (distance) P-C4' energy: -82.485
flat angles C4'-P-C4' energy: -109.182
flat angles P-C4'-P energy: -84.796
tors. eta vs tors. theta energy: -152.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1693.429348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.429348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.429348 (E_RNA)
where:
Base-Base interactions energy: -1186.659
where: short stacking energy: -503.971
Base-Backbone interact. energy: -0.328
local terms energy: -506.442887
where:
bonds (distance) C4'-P energy: -78.944
bonds (distance) P-C4' energy: -98.109
flat angles C4'-P-C4' energy: -108.263
flat angles P-C4'-P energy: -71.655
tors. eta vs tors. theta energy: -149.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1609.729232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.729232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.729232 (E_RNA)
where:
Base-Base interactions energy: -1127.811
where: short stacking energy: -454.465
Base-Backbone interact. energy: -1.155
local terms energy: -480.762794
where:
bonds (distance) C4'-P energy: -98.115
bonds (distance) P-C4' energy: -87.416
flat angles C4'-P-C4' energy: -95.346
flat angles P-C4'-P energy: -72.894
tors. eta vs tors. theta energy: -126.991
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: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1527.685026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.685026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.685026 (E_RNA)
where:
Base-Base interactions energy: -1095.348
where: short stacking energy: -468.504
Base-Backbone interact. energy: -1.614
local terms energy: -430.722502
where:
bonds (distance) C4'-P energy: -84.316
bonds (distance) P-C4' energy: -73.334
flat angles C4'-P-C4' energy: -91.633
flat angles P-C4'-P energy: -56.939
tors. eta vs tors. theta energy: -124.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1371.190677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.190677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.190677 (E_RNA)
where:
Base-Base interactions energy: -965.755
where: short stacking energy: -406.061
Base-Backbone interact. energy: 0.936
local terms energy: -406.372249
where:
bonds (distance) C4'-P energy: -81.375
bonds (distance) P-C4' energy: -80.016
flat angles C4'-P-C4' energy: -93.576
flat angles P-C4'-P energy: -57.363
tors. eta vs tors. theta energy: -94.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1253.213003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.213003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.213003 (E_RNA)
where:
Base-Base interactions energy: -857.994
where: short stacking energy: -361.094
Base-Backbone interact. energy: -1.922
local terms energy: -393.296367
where:
bonds (distance) C4'-P energy: -88.858
bonds (distance) P-C4' energy: -85.269
flat angles C4'-P-C4' energy: -87.946
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -84.852
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: 406
Temperature: 1.300000
Total energy: -832.802286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.802286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.802286 (E_RNA)
where:
Base-Base interactions energy: -535.576
where: short stacking energy: -215.860
Base-Backbone interact. energy: -1.413
local terms energy: -295.812791
where:
bonds (distance) C4'-P energy: -61.268
bonds (distance) P-C4' energy: -86.636
flat angles C4'-P-C4' energy: -69.371
flat angles P-C4'-P energy: -53.765
tors. eta vs tors. theta energy: -24.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -901.128401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.128401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.128401 (E_RNA)
where:
Base-Base interactions energy: -584.569
where: short stacking energy: -265.762
Base-Backbone interact. energy: 1.711
local terms energy: -318.270351
where:
bonds (distance) C4'-P energy: -78.233
bonds (distance) P-C4' energy: -73.846
flat angles C4'-P-C4' energy: -68.551
flat angles P-C4'-P energy: -58.895
tors. eta vs tors. theta energy: -38.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1822.968960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.968960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.968960 (E_RNA)
where:
Base-Base interactions energy: -1269.238
where: short stacking energy: -524.889
Base-Backbone interact. energy: -0.077
local terms energy: -553.653487
where:
bonds (distance) C4'-P energy: -94.818
bonds (distance) P-C4' energy: -99.563
flat angles C4'-P-C4' energy: -119.514
flat angles P-C4'-P energy: -80.962
tors. eta vs tors. theta energy: -158.796
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: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1808.562934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.562934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.562934 (E_RNA)
where:
Base-Base interactions energy: -1280.987
where: short stacking energy: -510.047
Base-Backbone interact. energy: 1.111
local terms energy: -528.686623
where:
bonds (distance) C4'-P energy: -93.752
bonds (distance) P-C4' energy: -95.489
flat angles C4'-P-C4' energy: -120.671
flat angles P-C4'-P energy: -73.494
tors. eta vs tors. theta energy: -145.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1741.003585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.003585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.003585 (E_RNA)
where:
Base-Base interactions energy: -1247.222
where: short stacking energy: -537.016
Base-Backbone interact. energy: -3.373
local terms energy: -490.409055
where:
bonds (distance) C4'-P energy: -77.833
bonds (distance) P-C4' energy: -90.277
flat angles C4'-P-C4' energy: -103.597
flat angles P-C4'-P energy: -66.581
tors. eta vs tors. theta energy: -152.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1693.929638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.929638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.929638 (E_RNA)
where:
Base-Base interactions energy: -1188.698
where: short stacking energy: -507.666
Base-Backbone interact. energy: -1.564
local terms energy: -503.667254
where:
bonds (distance) C4'-P energy: -81.624
bonds (distance) P-C4' energy: -81.610
flat angles C4'-P-C4' energy: -113.286
flat angles P-C4'-P energy: -70.136
tors. eta vs tors. theta energy: -157.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1624.335273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.335273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.335273 (E_RNA)
where:
Base-Base interactions energy: -1138.841
where: short stacking energy: -466.268
Base-Backbone interact. energy: -0.925
local terms energy: -484.569057
where:
bonds (distance) C4'-P energy: -95.092
bonds (distance) P-C4' energy: -86.986
flat angles C4'-P-C4' energy: -101.570
flat angles P-C4'-P energy: -65.965
tors. eta vs tors. theta energy: -134.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1531.963649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.963649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.963649 (E_RNA)
where:
Base-Base interactions energy: -1082.115
where: short stacking energy: -457.201
Base-Backbone interact. energy: -0.113
local terms energy: -449.735623
where:
bonds (distance) C4'-P energy: -78.853
bonds (distance) P-C4' energy: -81.508
flat angles C4'-P-C4' energy: -107.744
flat angles P-C4'-P energy: -60.532
tors. eta vs tors. theta energy: -121.099
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: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1402.473264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.473264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.473264 (E_RNA)
where:
Base-Base interactions energy: -977.156
where: short stacking energy: -402.644
Base-Backbone interact. energy: 2.419
local terms energy: -427.736008
where:
bonds (distance) C4'-P energy: -78.182
bonds (distance) P-C4' energy: -80.911
flat angles C4'-P-C4' energy: -96.864
flat angles P-C4'-P energy: -66.612
tors. eta vs tors. theta energy: -105.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1262.760628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.760628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.760628 (E_RNA)
where:
Base-Base interactions energy: -866.399
where: short stacking energy: -350.469
Base-Backbone interact. energy: 3.019
local terms energy: -399.380898
where:
bonds (distance) C4'-P energy: -75.581
bonds (distance) P-C4' energy: -94.306
flat angles C4'-P-C4' energy: -91.366
flat angles P-C4'-P energy: -52.440
tors. eta vs tors. theta energy: -85.687
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: 407
Temperature: 1.300000
Total energy: -861.936952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.936952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.936952 (E_RNA)
where:
Base-Base interactions energy: -532.214
where: short stacking energy: -244.534
Base-Backbone interact. energy: -0.460
local terms energy: -329.263231
where:
bonds (distance) C4'-P energy: -73.249
bonds (distance) P-C4' energy: -93.317
flat angles C4'-P-C4' energy: -72.148
flat angles P-C4'-P energy: -46.885
tors. eta vs tors. theta energy: -43.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -913.743062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.743062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.743062 (E_RNA)
where:
Base-Base interactions energy: -604.134
where: short stacking energy: -268.145
Base-Backbone interact. energy: 2.953
local terms energy: -312.562635
where:
bonds (distance) C4'-P energy: -72.039
bonds (distance) P-C4' energy: -69.724
flat angles C4'-P-C4' energy: -76.720
flat angles P-C4'-P energy: -51.651
tors. eta vs tors. theta energy: -42.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1834.613529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.613529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.613529 (E_RNA)
where:
Base-Base interactions energy: -1292.371
where: short stacking energy: -533.175
Base-Backbone interact. energy: -1.092
local terms energy: -541.150769
where:
bonds (distance) C4'-P energy: -102.228
bonds (distance) P-C4' energy: -91.524
flat angles C4'-P-C4' energy: -114.838
flat angles P-C4'-P energy: -75.624
tors. eta vs tors. theta energy: -156.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1807.258602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.258602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.258602 (E_RNA)
where:
Base-Base interactions energy: -1287.453
where: short stacking energy: -527.485
Base-Backbone interact. energy: -1.932
local terms energy: -517.873750
where:
bonds (distance) C4'-P energy: -93.252
bonds (distance) P-C4' energy: -86.509
flat angles C4'-P-C4' energy: -111.095
flat angles P-C4'-P energy: -72.343
tors. eta vs tors. theta energy: -154.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1749.741067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.741067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.741067 (E_RNA)
where:
Base-Base interactions energy: -1222.361
where: short stacking energy: -501.650
Base-Backbone interact. energy: -2.049
local terms energy: -525.330373
where:
bonds (distance) C4'-P energy: -94.397
bonds (distance) P-C4' energy: -89.436
flat angles C4'-P-C4' energy: -108.612
flat angles P-C4'-P energy: -76.620
tors. eta vs tors. theta energy: -156.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1711.168720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.168720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.168720 (E_RNA)
where:
Base-Base interactions energy: -1203.926
where: short stacking energy: -495.080
Base-Backbone interact. energy: -2.202
local terms energy: -505.040686
where:
bonds (distance) C4'-P energy: -92.716
bonds (distance) P-C4' energy: -87.194
flat angles C4'-P-C4' energy: -112.005
flat angles P-C4'-P energy: -69.355
tors. eta vs tors. theta energy: -143.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1653.946730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.946730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.946730 (E_RNA)
where:
Base-Base interactions energy: -1190.572
where: short stacking energy: -490.339
Base-Backbone interact. energy: -0.998
local terms energy: -462.376334
where:
bonds (distance) C4'-P energy: -62.992
bonds (distance) P-C4' energy: -82.378
flat angles C4'-P-C4' energy: -105.129
flat angles P-C4'-P energy: -69.945
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: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1537.314890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.314890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.314890 (E_RNA)
where:
Base-Base interactions energy: -1080.504
where: short stacking energy: -453.565
Base-Backbone interact. energy: -1.569
local terms energy: -455.241143
where:
bonds (distance) C4'-P energy: -91.391
bonds (distance) P-C4' energy: -74.570
flat angles C4'-P-C4' energy: -90.497
flat angles P-C4'-P energy: -77.675
tors. eta vs tors. theta energy: -121.107
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: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1406.648407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.648407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.648407 (E_RNA)
where:
Base-Base interactions energy: -1014.033
where: short stacking energy: -434.476
Base-Backbone interact. energy: 4.416
local terms energy: -397.031450
where:
bonds (distance) C4'-P energy: -80.007
bonds (distance) P-C4' energy: -90.023
flat angles C4'-P-C4' energy: -69.204
flat angles P-C4'-P energy: -52.151
tors. eta vs tors. theta energy: -105.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1277.406634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.406634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.406634 (E_RNA)
where:
Base-Base interactions energy: -866.905
where: short stacking energy: -377.841
Base-Backbone interact. energy: -3.361
local terms energy: -407.140966
where:
bonds (distance) C4'-P energy: -75.310
bonds (distance) P-C4' energy: -88.799
flat angles C4'-P-C4' energy: -75.943
flat angles P-C4'-P energy: -53.942
tors. eta vs tors. theta energy: -113.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -946.012692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.012692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.012692 (E_RNA)
where:
Base-Base interactions energy: -619.078
where: short stacking energy: -279.326
Base-Backbone interact. energy: -1.383
local terms energy: -325.550858
where:
bonds (distance) C4'-P energy: -81.532
bonds (distance) P-C4' energy: -70.129
flat angles C4'-P-C4' energy: -70.187
flat angles P-C4'-P energy: -40.581
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: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -831.887070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.887070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.887070 (E_RNA)
where:
Base-Base interactions energy: -539.755
where: short stacking energy: -230.333
Base-Backbone interact. energy: -0.376
local terms energy: -291.756054
where:
bonds (distance) C4'-P energy: -61.258
bonds (distance) P-C4' energy: -63.702
flat angles C4'-P-C4' energy: -89.970
flat angles P-C4'-P energy: -41.760
tors. eta vs tors. theta energy: -35.065
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: 409
Temperature: 0.900000
Total energy: -1845.512056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.512056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.512056 (E_RNA)
where:
Base-Base interactions energy: -1288.943
where: short stacking energy: -542.298
Base-Backbone interact. energy: 0.821
local terms energy: -557.390129
where:
bonds (distance) C4'-P energy: -91.509
bonds (distance) P-C4' energy: -105.655
flat angles C4'-P-C4' energy: -120.279
flat angles P-C4'-P energy: -81.680
tors. eta vs tors. theta energy: -158.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1771.990622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.990622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.990622 (E_RNA)
where:
Base-Base interactions energy: -1245.253
where: short stacking energy: -538.061
Base-Backbone interact. energy: -3.225
local terms energy: -523.512572
where:
bonds (distance) C4'-P energy: -92.690
bonds (distance) P-C4' energy: -98.609
flat angles C4'-P-C4' energy: -108.000
flat angles P-C4'-P energy: -72.760
tors. eta vs tors. theta energy: -151.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1756.956848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.956848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.956848 (E_RNA)
where:
Base-Base interactions energy: -1242.171
where: short stacking energy: -523.258
Base-Backbone interact. energy: -3.232
local terms energy: -511.554102
where:
bonds (distance) C4'-P energy: -85.322
bonds (distance) P-C4' energy: -97.709
flat angles C4'-P-C4' energy: -105.776
flat angles P-C4'-P energy: -67.915
tors. eta vs tors. theta energy: -154.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1683.238663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.238663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.238663 (E_RNA)
where:
Base-Base interactions energy: -1169.710
where: short stacking energy: -489.206
Base-Backbone interact. energy: -2.949
local terms energy: -510.579497
where:
bonds (distance) C4'-P energy: -96.765
bonds (distance) P-C4' energy: -95.356
flat angles C4'-P-C4' energy: -111.730
flat angles P-C4'-P energy: -70.116
tors. eta vs tors. theta energy: -136.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1661.800086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.800086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.800086 (E_RNA)
where:
Base-Base interactions energy: -1181.568
where: short stacking energy: -478.675
Base-Backbone interact. energy: -2.361
local terms energy: -477.871311
where:
bonds (distance) C4'-P energy: -72.416
bonds (distance) P-C4' energy: -96.831
flat angles C4'-P-C4' energy: -106.221
flat angles P-C4'-P energy: -67.500
tors. eta vs tors. theta energy: -134.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1540.549907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.549907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.549907 (E_RNA)
where:
Base-Base interactions energy: -1092.735
where: short stacking energy: -451.610
Base-Backbone interact. energy: -1.672
local terms energy: -446.143179
where:
bonds (distance) C4'-P energy: -82.135
bonds (distance) P-C4' energy: -77.640
flat angles C4'-P-C4' energy: -92.357
flat angles P-C4'-P energy: -62.061
tors. eta vs tors. theta energy: -131.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1405.864769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.864769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.864769 (E_RNA)
where:
Base-Base interactions energy: -962.823
where: short stacking energy: -405.188
Base-Backbone interact. energy: -2.057
local terms energy: -440.985320
where:
bonds (distance) C4'-P energy: -75.846
bonds (distance) P-C4' energy: -94.829
flat angles C4'-P-C4' energy: -98.570
flat angles P-C4'-P energy: -60.004
tors. eta vs tors. theta energy: -111.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1265.880316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.880316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.880316 (E_RNA)
where:
Base-Base interactions energy: -878.013
where: short stacking energy: -376.044
Base-Backbone interact. energy: 0.377
local terms energy: -388.244218
where:
bonds (distance) C4'-P energy: -67.695
bonds (distance) P-C4' energy: -79.018
flat angles C4'-P-C4' energy: -84.533
flat angles P-C4'-P energy: -58.192
tors. eta vs tors. theta energy: -98.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -934.869348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.869348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.869348 (E_RNA)
where:
Base-Base interactions energy: -598.999
where: short stacking energy: -262.880
Base-Backbone interact. energy: -0.226
local terms energy: -335.644221
where:
bonds (distance) C4'-P energy: -81.071
bonds (distance) P-C4' energy: -76.960
flat angles C4'-P-C4' energy: -88.417
flat angles P-C4'-P energy: -37.226
tors. eta vs tors. theta energy: -51.971
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: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -934.975766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.975766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.975766 (E_RNA)
where:
Base-Base interactions energy: -591.292
where: short stacking energy: -276.658
Base-Backbone interact. energy: -1.388
local terms energy: -342.295985
where:
bonds (distance) C4'-P energy: -74.317
bonds (distance) P-C4' energy: -67.943
flat angles C4'-P-C4' energy: -73.493
flat angles P-C4'-P energy: -61.979
tors. eta vs tors. theta energy: -64.564
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: 410
Temperature: 0.900000
Total energy: -1836.364187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.364187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.364187 (E_RNA)
where:
Base-Base interactions energy: -1288.357
where: short stacking energy: -548.246
Base-Backbone interact. energy: -2.401
local terms energy: -545.606289
where:
bonds (distance) C4'-P energy: -97.339
bonds (distance) P-C4' energy: -90.891
flat angles C4'-P-C4' energy: -113.609
flat angles P-C4'-P energy: -84.065
tors. eta vs tors. theta energy: -159.702
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: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1809.813800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.813800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.813800 (E_RNA)
where:
Base-Base interactions energy: -1258.197
where: short stacking energy: -529.724
Base-Backbone interact. energy: 0.614
local terms energy: -552.231073
where:
bonds (distance) C4'-P energy: -106.702
bonds (distance) P-C4' energy: -100.628
flat angles C4'-P-C4' energy: -111.934
flat angles P-C4'-P energy: -71.666
tors. eta vs tors. theta energy: -161.301
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: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1747.164087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.164087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.164087 (E_RNA)
where:
Base-Base interactions energy: -1242.892
where: short stacking energy: -523.233
Base-Backbone interact. energy: -0.012
local terms energy: -504.259615
where:
bonds (distance) C4'-P energy: -94.060
bonds (distance) P-C4' energy: -99.821
flat angles C4'-P-C4' energy: -102.160
flat angles P-C4'-P energy: -59.381
tors. eta vs tors. theta energy: -148.837
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: 410
Temperature: 1.050000
Total energy: -1668.617565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.617565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.617565 (E_RNA)
where:
Base-Base interactions energy: -1162.313
where: short stacking energy: -482.597
Base-Backbone interact. energy: -0.708
local terms energy: -505.597128
where:
bonds (distance) C4'-P energy: -83.317
bonds (distance) P-C4' energy: -98.376
flat angles C4'-P-C4' energy: -99.695
flat angles P-C4'-P energy: -78.840
tors. eta vs tors. theta energy: -145.370
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: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1640.793270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.793270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.793270 (E_RNA)
where:
Base-Base interactions energy: -1153.791
where: short stacking energy: -486.292
Base-Backbone interact. energy: 0.716
local terms energy: -487.717960
where:
bonds (distance) C4'-P energy: -89.619
bonds (distance) P-C4' energy: -89.926
flat angles C4'-P-C4' energy: -108.475
flat angles P-C4'-P energy: -65.141
tors. eta vs tors. theta energy: -134.556
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: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1539.992610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.992610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.992610 (E_RNA)
where:
Base-Base interactions energy: -1101.097
where: short stacking energy: -445.070
Base-Backbone interact. energy: 2.372
local terms energy: -441.267276
where:
bonds (distance) C4'-P energy: -71.836
bonds (distance) P-C4' energy: -73.505
flat angles C4'-P-C4' energy: -99.113
flat angles P-C4'-P energy: -64.840
tors. eta vs tors. theta energy: -131.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1358.375849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.375849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.375849 (E_RNA)
where:
Base-Base interactions energy: -965.704
where: short stacking energy: -378.003
Base-Backbone interact. energy: 3.057
local terms energy: -395.728237
where:
bonds (distance) C4'-P energy: -76.247
bonds (distance) P-C4' energy: -73.132
flat angles C4'-P-C4' energy: -83.189
flat angles P-C4'-P energy: -51.551
tors. eta vs tors. theta energy: -111.610
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: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1303.099850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.099850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.099850 (E_RNA)
where:
Base-Base interactions energy: -884.596
where: short stacking energy: -379.443
Base-Backbone interact. energy: -2.084
local terms energy: -416.419953
where:
bonds (distance) C4'-P energy: -81.705
bonds (distance) P-C4' energy: -80.842
flat angles C4'-P-C4' energy: -96.534
flat angles P-C4'-P energy: -50.928
tors. eta vs tors. theta energy: -106.410
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: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -940.179283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.179283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.179283 (E_RNA)
where:
Base-Base interactions energy: -595.620
where: short stacking energy: -260.557
Base-Backbone interact. energy: -1.513
local terms energy: -343.045728
where:
bonds (distance) C4'-P energy: -82.771
bonds (distance) P-C4' energy: -75.231
flat angles C4'-P-C4' energy: -82.456
flat angles P-C4'-P energy: -59.437
tors. eta vs tors. theta energy: -43.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -884.514459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.514459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.514459 (E_RNA)
where:
Base-Base interactions energy: -551.793
where: short stacking energy: -253.002
Base-Backbone interact. energy: -0.250
local terms energy: -332.471074
where:
bonds (distance) C4'-P energy: -77.722
bonds (distance) P-C4' energy: -76.288
flat angles C4'-P-C4' energy: -85.309
flat angles P-C4'-P energy: -49.080
tors. eta vs tors. theta energy: -44.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1832.780492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.780492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.780492 (E_RNA)
where:
Base-Base interactions energy: -1267.403
where: short stacking energy: -537.045
Base-Backbone interact. energy: 0.552
local terms energy: -565.929812
where:
bonds (distance) C4'-P energy: -100.221
bonds (distance) P-C4' energy: -103.629
flat angles C4'-P-C4' energy: -113.001
flat angles P-C4'-P energy: -89.341
tors. eta vs tors. theta energy: -159.737
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: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1795.109101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.109101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.109101 (E_RNA)
where:
Base-Base interactions energy: -1254.665
where: short stacking energy: -531.789
Base-Backbone interact. energy: 2.628
local terms energy: -543.071414
where:
bonds (distance) C4'-P energy: -95.569
bonds (distance) P-C4' energy: -96.067
flat angles C4'-P-C4' energy: -117.531
flat angles P-C4'-P energy: -74.781
tors. eta vs tors. theta energy: -159.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1721.294870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.294870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.294870 (E_RNA)
where:
Base-Base interactions energy: -1202.799
where: short stacking energy: -496.788
Base-Backbone interact. energy: 1.368
local terms energy: -519.864146
where:
bonds (distance) C4'-P energy: -96.257
bonds (distance) P-C4' energy: -94.737
flat angles C4'-P-C4' energy: -111.082
flat angles P-C4'-P energy: -72.729
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: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1664.699677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.699677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.699677 (E_RNA)
where:
Base-Base interactions energy: -1147.077
where: short stacking energy: -480.848
Base-Backbone interact. energy: 0.995
local terms energy: -518.616926
where:
bonds (distance) C4'-P energy: -100.077
bonds (distance) P-C4' energy: -103.762
flat angles C4'-P-C4' energy: -108.105
flat angles P-C4'-P energy: -69.425
tors. eta vs tors. theta energy: -137.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1667.986991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.986991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.986991 (E_RNA)
where:
Base-Base interactions energy: -1165.317
where: short stacking energy: -470.631
Base-Backbone interact. energy: 0.023
local terms energy: -502.693525
where:
bonds (distance) C4'-P energy: -85.693
bonds (distance) P-C4' energy: -92.685
flat angles C4'-P-C4' energy: -98.156
flat angles P-C4'-P energy: -76.808
tors. eta vs tors. theta energy: -149.351
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: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1524.655517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.655517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.655517 (E_RNA)
where:
Base-Base interactions energy: -1063.980
where: short stacking energy: -432.037
Base-Backbone interact. energy: -1.813
local terms energy: -458.862406
where:
bonds (distance) C4'-P energy: -81.267
bonds (distance) P-C4' energy: -95.410
flat angles C4'-P-C4' energy: -97.021
flat angles P-C4'-P energy: -70.025
tors. eta vs tors. theta energy: -115.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1400.557350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.557350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.557350 (E_RNA)
where:
Base-Base interactions energy: -981.146
where: short stacking energy: -401.600
Base-Backbone interact. energy: -2.032
local terms energy: -417.378922
where:
bonds (distance) C4'-P energy: -76.587
bonds (distance) P-C4' energy: -79.695
flat angles C4'-P-C4' energy: -87.413
flat angles P-C4'-P energy: -61.614
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: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1298.241115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.241115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.241115 (E_RNA)
where:
Base-Base interactions energy: -909.469
where: short stacking energy: -386.545
Base-Backbone interact. energy: 7.438
local terms energy: -396.210318
where:
bonds (distance) C4'-P energy: -65.567
bonds (distance) P-C4' energy: -81.562
flat angles C4'-P-C4' energy: -94.440
flat angles P-C4'-P energy: -52.795
tors. eta vs tors. theta energy: -101.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -937.845512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.845512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.845512 (E_RNA)
where:
Base-Base interactions energy: -583.370
where: short stacking energy: -269.734
Base-Backbone interact. energy: 4.423
local terms energy: -358.898031
where:
bonds (distance) C4'-P energy: -86.830
bonds (distance) P-C4' energy: -84.691
flat angles C4'-P-C4' energy: -76.042
flat angles P-C4'-P energy: -60.529
tors. eta vs tors. theta energy: -50.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -901.885215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.885215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.885215 (E_RNA)
where:
Base-Base interactions energy: -562.735
where: short stacking energy: -271.764
Base-Backbone interact. energy: 0.220
local terms energy: -339.369666
where:
bonds (distance) C4'-P energy: -83.582
bonds (distance) P-C4' energy: -75.668
flat angles C4'-P-C4' energy: -86.844
flat angles P-C4'-P energy: -44.139
tors. eta vs tors. theta energy: -49.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1837.296027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.296027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.296027 (E_RNA)
where:
Base-Base interactions energy: -1292.935
where: short stacking energy: -537.441
Base-Backbone interact. energy: 0.441
local terms energy: -544.801999
where:
bonds (distance) C4'-P energy: -88.842
bonds (distance) P-C4' energy: -98.348
flat angles C4'-P-C4' energy: -111.512
flat angles P-C4'-P energy: -87.675
tors. eta vs tors. theta energy: -158.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1759.580870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.580870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.580870 (E_RNA)
where:
Base-Base interactions energy: -1225.390
where: short stacking energy: -529.503
Base-Backbone interact. energy: -0.698
local terms energy: -533.492810
where:
bonds (distance) C4'-P energy: -101.868
bonds (distance) P-C4' energy: -95.553
flat angles C4'-P-C4' energy: -113.776
flat angles P-C4'-P energy: -71.179
tors. eta vs tors. theta energy: -151.116
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: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1718.970766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.970766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.970766 (E_RNA)
where:
Base-Base interactions energy: -1194.002
where: short stacking energy: -509.037
Base-Backbone interact. energy: 0.248
local terms energy: -525.216306
where:
bonds (distance) C4'-P energy: -95.421
bonds (distance) P-C4' energy: -103.407
flat angles C4'-P-C4' energy: -109.100
flat angles P-C4'-P energy: -77.239
tors. eta vs tors. theta energy: -140.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1672.645933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.645933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.645933 (E_RNA)
where:
Base-Base interactions energy: -1162.992
where: short stacking energy: -491.028
Base-Backbone interact. energy: -0.980
local terms energy: -508.674157
where:
bonds (distance) C4'-P energy: -92.594
bonds (distance) P-C4' energy: -108.328
flat angles C4'-P-C4' energy: -99.585
flat angles P-C4'-P energy: -68.755
tors. eta vs tors. theta energy: -139.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1627.623409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.623409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.623409 (E_RNA)
where:
Base-Base interactions energy: -1157.974
where: short stacking energy: -477.423
Base-Backbone interact. energy: 0.558
local terms energy: -470.207324
where:
bonds (distance) C4'-P energy: -78.339
bonds (distance) P-C4' energy: -90.999
flat angles C4'-P-C4' energy: -103.871
flat angles P-C4'-P energy: -65.011
tors. eta vs tors. theta energy: -131.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1541.335285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.335285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.335285 (E_RNA)
where:
Base-Base interactions energy: -1073.559
where: short stacking energy: -465.003
Base-Backbone interact. energy: 0.015
local terms energy: -467.791319
where:
bonds (distance) C4'-P energy: -73.157
bonds (distance) P-C4' energy: -82.994
flat angles C4'-P-C4' energy: -109.354
flat angles P-C4'-P energy: -70.927
tors. eta vs tors. theta energy: -131.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1386.336832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.336832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.336832 (E_RNA)
where:
Base-Base interactions energy: -971.735
where: short stacking energy: -391.039
Base-Backbone interact. energy: 1.885
local terms energy: -416.487046
where:
bonds (distance) C4'-P energy: -77.524
bonds (distance) P-C4' energy: -91.065
flat angles C4'-P-C4' energy: -96.595
flat angles P-C4'-P energy: -62.401
tors. eta vs tors. theta energy: -88.903
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: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1278.173331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.173331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.173331 (E_RNA)
where:
Base-Base interactions energy: -868.470
where: short stacking energy: -376.291
Base-Backbone interact. energy: 5.071
local terms energy: -414.774595
where:
bonds (distance) C4'-P energy: -81.990
bonds (distance) P-C4' energy: -84.338
flat angles C4'-P-C4' energy: -85.260
flat angles P-C4'-P energy: -63.673
tors. eta vs tors. theta energy: -99.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -959.367394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.367394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.367394 (E_RNA)
where:
Base-Base interactions energy: -615.467
where: short stacking energy: -273.334
Base-Backbone interact. energy: -1.220
local terms energy: -342.679838
where:
bonds (distance) C4'-P energy: -74.314
bonds (distance) P-C4' energy: -76.008
flat angles C4'-P-C4' energy: -80.216
flat angles P-C4'-P energy: -51.802
tors. eta vs tors. theta energy: -60.340
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: 412
Temperature: 1.350000
Total energy: -879.824576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.824576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.824576 (E_RNA)
where:
Base-Base interactions energy: -552.819
where: short stacking energy: -252.472
Base-Backbone interact. energy: -0.271
local terms energy: -326.733930
where:
bonds (distance) C4'-P energy: -60.331
bonds (distance) P-C4' energy: -99.166
flat angles C4'-P-C4' energy: -77.818
flat angles P-C4'-P energy: -41.401
tors. eta vs tors. theta energy: -48.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1821.553866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.553866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.553866 (E_RNA)
where:
Base-Base interactions energy: -1272.058
where: short stacking energy: -524.954
Base-Backbone interact. energy: -0.319
local terms energy: -549.176525
where:
bonds (distance) C4'-P energy: -97.803
bonds (distance) P-C4' energy: -101.991
flat angles C4'-P-C4' energy: -116.308
flat angles P-C4'-P energy: -75.553
tors. eta vs tors. theta energy: -157.522
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: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1798.520785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.520785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.520785 (E_RNA)
where:
Base-Base interactions energy: -1265.004
where: short stacking energy: -541.377
Base-Backbone interact. energy: -0.939
local terms energy: -532.577529
where:
bonds (distance) C4'-P energy: -100.303
bonds (distance) P-C4' energy: -91.366
flat angles C4'-P-C4' energy: -105.449
flat angles P-C4'-P energy: -77.632
tors. eta vs tors. theta energy: -157.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1714.889408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.889408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.889408 (E_RNA)
where:
Base-Base interactions energy: -1197.123
where: short stacking energy: -494.987
Base-Backbone interact. energy: -1.623
local terms energy: -516.143794
where:
bonds (distance) C4'-P energy: -87.533
bonds (distance) P-C4' energy: -96.384
flat angles C4'-P-C4' energy: -114.160
flat angles P-C4'-P energy: -68.907
tors. eta vs tors. theta energy: -149.160
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: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1689.480880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.480880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.480880 (E_RNA)
where:
Base-Base interactions energy: -1172.538
where: short stacking energy: -491.440
Base-Backbone interact. energy: -0.695
local terms energy: -516.248229
where:
bonds (distance) C4'-P energy: -84.922
bonds (distance) P-C4' energy: -101.677
flat angles C4'-P-C4' energy: -109.922
flat angles P-C4'-P energy: -72.664
tors. eta vs tors. theta energy: -147.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1638.805574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.805574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.805574 (E_RNA)
where:
Base-Base interactions energy: -1165.756
where: short stacking energy: -473.755
Base-Backbone interact. energy: -2.057
local terms energy: -470.992492
where:
bonds (distance) C4'-P energy: -86.499
bonds (distance) P-C4' energy: -73.026
flat angles C4'-P-C4' energy: -107.098
flat angles P-C4'-P energy: -65.045
tors. eta vs tors. theta energy: -139.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1520.207373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.207373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.207373 (E_RNA)
where:
Base-Base interactions energy: -1090.515
where: short stacking energy: -446.023
Base-Backbone interact. energy: -0.765
local terms energy: -428.927446
where:
bonds (distance) C4'-P energy: -77.956
bonds (distance) P-C4' energy: -68.281
flat angles C4'-P-C4' energy: -92.866
flat angles P-C4'-P energy: -66.430
tors. eta vs tors. theta energy: -123.394
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: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1410.623990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.623990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.623990 (E_RNA)
where:
Base-Base interactions energy: -964.248
where: short stacking energy: -394.877
Base-Backbone interact. energy: -1.174
local terms energy: -445.202571
where:
bonds (distance) C4'-P energy: -82.158
bonds (distance) P-C4' energy: -100.375
flat angles C4'-P-C4' energy: -96.987
flat angles P-C4'-P energy: -64.945
tors. eta vs tors. theta energy: -100.738
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: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1275.426919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.426919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.426919 (E_RNA)
where:
Base-Base interactions energy: -884.215
where: short stacking energy: -383.825
Base-Backbone interact. energy: 6.981
local terms energy: -398.192476
where:
bonds (distance) C4'-P energy: -83.937
bonds (distance) P-C4' energy: -73.297
flat angles C4'-P-C4' energy: -88.291
flat angles P-C4'-P energy: -54.212
tors. eta vs tors. theta energy: -98.456
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: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -954.465493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.465493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.465493 (E_RNA)
where:
Base-Base interactions energy: -627.982
where: short stacking energy: -287.874
Base-Backbone interact. energy: -2.062
local terms energy: -324.422091
where:
bonds (distance) C4'-P energy: -75.693
bonds (distance) P-C4' energy: -76.302
flat angles C4'-P-C4' energy: -79.206
flat angles P-C4'-P energy: -39.297
tors. eta vs tors. theta energy: -53.924
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: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -835.631652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.631652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.631652 (E_RNA)
where:
Base-Base interactions energy: -511.821
where: short stacking energy: -220.640
Base-Backbone interact. energy: 0.867
local terms energy: -324.678000
where:
bonds (distance) C4'-P energy: -65.219
bonds (distance) P-C4' energy: -86.364
flat angles C4'-P-C4' energy: -77.815
flat angles P-C4'-P energy: -60.982
tors. eta vs tors. theta energy: -34.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1840.412638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.412638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.412638 (E_RNA)
where:
Base-Base interactions energy: -1310.243
where: short stacking energy: -528.740
Base-Backbone interact. energy: -0.747
local terms energy: -529.422959
where:
bonds (distance) C4'-P energy: -86.651
bonds (distance) P-C4' energy: -104.646
flat angles C4'-P-C4' energy: -112.113
flat angles P-C4'-P energy: -77.530
tors. eta vs tors. theta energy: -148.483
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: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1772.896906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.896906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.896906 (E_RNA)
where:
Base-Base interactions energy: -1260.737
where: short stacking energy: -527.517
Base-Backbone interact. energy: -4.119
local terms energy: -508.041610
where:
bonds (distance) C4'-P energy: -78.844
bonds (distance) P-C4' energy: -93.366
flat angles C4'-P-C4' energy: -110.563
flat angles P-C4'-P energy: -75.383
tors. eta vs tors. theta energy: -149.885
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: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1740.522555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.522555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.522555 (E_RNA)
where:
Base-Base interactions energy: -1225.074
where: short stacking energy: -511.778
Base-Backbone interact. energy: -4.828
local terms energy: -510.620935
where:
bonds (distance) C4'-P energy: -83.221
bonds (distance) P-C4' energy: -95.540
flat angles C4'-P-C4' energy: -108.836
flat angles P-C4'-P energy: -74.600
tors. eta vs tors. theta energy: -148.424
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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1720.944832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.944832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.944832 (E_RNA)
where:
Base-Base interactions energy: -1216.443
where: short stacking energy: -507.022
Base-Backbone interact. energy: 2.071
local terms energy: -506.573309
where:
bonds (distance) C4'-P energy: -79.881
bonds (distance) P-C4' energy: -92.006
flat angles C4'-P-C4' energy: -112.982
flat angles P-C4'-P energy: -75.437
tors. eta vs tors. theta energy: -146.266
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: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1629.021934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.021934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.021934 (E_RNA)
where:
Base-Base interactions energy: -1140.481
where: short stacking energy: -477.310
Base-Backbone interact. energy: -0.865
local terms energy: -487.676294
where:
bonds (distance) C4'-P energy: -90.741
bonds (distance) P-C4' energy: -81.115
flat angles C4'-P-C4' energy: -109.367
flat angles P-C4'-P energy: -70.759
tors. eta vs tors. theta energy: -135.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1578.667677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.667677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.667677 (E_RNA)
where:
Base-Base interactions energy: -1135.878
where: short stacking energy: -471.050
Base-Backbone interact. energy: -0.092
local terms energy: -442.697898
where:
bonds (distance) C4'-P energy: -79.511
bonds (distance) P-C4' energy: -92.285
flat angles C4'-P-C4' energy: -77.166
flat angles P-C4'-P energy: -67.153
tors. eta vs tors. theta energy: -126.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1432.389035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.389035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.389035 (E_RNA)
where:
Base-Base interactions energy: -1011.794
where: short stacking energy: -424.452
Base-Backbone interact. energy: 3.324
local terms energy: -423.919438
where:
bonds (distance) C4'-P energy: -85.959
bonds (distance) P-C4' energy: -66.694
flat angles C4'-P-C4' energy: -93.747
flat angles P-C4'-P energy: -62.480
tors. eta vs tors. theta energy: -115.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1282.395334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.395334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.395334 (E_RNA)
where:
Base-Base interactions energy: -883.378
where: short stacking energy: -349.735
Base-Backbone interact. energy: -0.582
local terms energy: -398.435944
where:
bonds (distance) C4'-P energy: -75.206
bonds (distance) P-C4' energy: -90.111
flat angles C4'-P-C4' energy: -82.446
flat angles P-C4'-P energy: -52.735
tors. eta vs tors. theta energy: -97.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -930.239790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.239790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.239790 (E_RNA)
where:
Base-Base interactions energy: -594.404
where: short stacking energy: -274.320
Base-Backbone interact. energy: 1.661
local terms energy: -337.496583
where:
bonds (distance) C4'-P energy: -76.412
bonds (distance) P-C4' energy: -71.042
flat angles C4'-P-C4' energy: -79.889
flat angles P-C4'-P energy: -60.055
tors. eta vs tors. theta energy: -50.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -848.241779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.241779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.241779 (E_RNA)
where:
Base-Base interactions energy: -512.101
where: short stacking energy: -246.443
Base-Backbone interact. energy: -2.118
local terms energy: -334.021940
where:
bonds (distance) C4'-P energy: -88.393
bonds (distance) P-C4' energy: -72.548
flat angles C4'-P-C4' energy: -85.672
flat angles P-C4'-P energy: -43.250
tors. eta vs tors. theta energy: -44.158
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: 415
Temperature: 0.900000
Total energy: -1823.472000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.472000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.472000 (E_RNA)
where:
Base-Base interactions energy: -1287.818
where: short stacking energy: -545.891
Base-Backbone interact. energy: -1.751
local terms energy: -533.902314
where:
bonds (distance) C4'-P energy: -86.671
bonds (distance) P-C4' energy: -97.594
flat angles C4'-P-C4' energy: -111.799
flat angles P-C4'-P energy: -76.974
tors. eta vs tors. theta energy: -160.865
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: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1786.373331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.373331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.373331 (E_RNA)
where:
Base-Base interactions energy: -1245.991
where: short stacking energy: -529.282
Base-Backbone interact. energy: -2.876
local terms energy: -537.506638
where:
bonds (distance) C4'-P energy: -104.960
bonds (distance) P-C4' energy: -92.153
flat angles C4'-P-C4' energy: -111.254
flat angles P-C4'-P energy: -75.698
tors. eta vs tors. theta energy: -153.442
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: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1761.371167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.371167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.371167 (E_RNA)
where:
Base-Base interactions energy: -1249.778
where: short stacking energy: -525.500
Base-Backbone interact. energy: 0.912
local terms energy: -512.505208
where:
bonds (distance) C4'-P energy: -88.660
bonds (distance) P-C4' energy: -98.766
flat angles C4'-P-C4' energy: -105.543
flat angles P-C4'-P energy: -70.505
tors. eta vs tors. theta energy: -149.032
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: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1699.136381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.136381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.136381 (E_RNA)
where:
Base-Base interactions energy: -1183.655
where: short stacking energy: -484.122
Base-Backbone interact. energy: -3.650
local terms energy: -511.831071
where:
bonds (distance) C4'-P energy: -102.500
bonds (distance) P-C4' energy: -89.269
flat angles C4'-P-C4' energy: -105.743
flat angles P-C4'-P energy: -70.234
tors. eta vs tors. theta energy: -144.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1640.930413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.930413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.930413 (E_RNA)
where:
Base-Base interactions energy: -1159.651
where: short stacking energy: -482.314
Base-Backbone interact. energy: -2.454
local terms energy: -478.825335
where:
bonds (distance) C4'-P energy: -85.699
bonds (distance) P-C4' energy: -93.872
flat angles C4'-P-C4' energy: -90.217
flat angles P-C4'-P energy: -69.694
tors. eta vs tors. theta energy: -139.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1547.808249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.808249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.808249 (E_RNA)
where:
Base-Base interactions energy: -1082.762
where: short stacking energy: -458.294
Base-Backbone interact. energy: -1.851
local terms energy: -463.195231
where:
bonds (distance) C4'-P energy: -85.869
bonds (distance) P-C4' energy: -81.389
flat angles C4'-P-C4' energy: -97.827
flat angles P-C4'-P energy: -72.338
tors. eta vs tors. theta energy: -125.773
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: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1410.670553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.670553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.670553 (E_RNA)
where:
Base-Base interactions energy: -980.374
where: short stacking energy: -412.928
Base-Backbone interact. energy: -0.470
local terms energy: -429.826335
where:
bonds (distance) C4'-P energy: -78.145
bonds (distance) P-C4' energy: -81.232
flat angles C4'-P-C4' energy: -90.235
flat angles P-C4'-P energy: -69.228
tors. eta vs tors. theta energy: -110.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1256.469529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.469529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.469529 (E_RNA)
where:
Base-Base interactions energy: -870.421
where: short stacking energy: -357.049
Base-Backbone interact. energy: 3.307
local terms energy: -389.355690
where:
bonds (distance) C4'-P energy: -66.893
bonds (distance) P-C4' energy: -81.848
flat angles C4'-P-C4' energy: -97.989
flat angles P-C4'-P energy: -44.587
tors. eta vs tors. theta energy: -98.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -927.785312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.785312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.785312 (E_RNA)
where:
Base-Base interactions energy: -607.495
where: short stacking energy: -263.920
Base-Backbone interact. energy: -0.634
local terms energy: -319.656404
where:
bonds (distance) C4'-P energy: -88.541
bonds (distance) P-C4' energy: -70.716
flat angles C4'-P-C4' energy: -84.530
flat angles P-C4'-P energy: -28.803
tors. eta vs tors. theta energy: -47.066
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: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -853.907099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.907099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.907099 (E_RNA)
where:
Base-Base interactions energy: -543.685
where: short stacking energy: -254.491
Base-Backbone interact. energy: 1.151
local terms energy: -311.373212
where:
bonds (distance) C4'-P energy: -72.260
bonds (distance) P-C4' energy: -68.055
flat angles C4'-P-C4' energy: -97.657
flat angles P-C4'-P energy: -41.265
tors. eta vs tors. theta energy: -32.135
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: 416
Temperature: 0.900000
Total energy: -1827.639424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.639424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.639424 (E_RNA)
where:
Base-Base interactions energy: -1281.900
where: short stacking energy: -544.780
Base-Backbone interact. energy: -1.585
local terms energy: -544.155240
where:
bonds (distance) C4'-P energy: -95.888
bonds (distance) P-C4' energy: -107.126
flat angles C4'-P-C4' energy: -111.138
flat angles P-C4'-P energy: -73.204
tors. eta vs tors. theta energy: -156.798
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: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1784.962250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.962250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.962250 (E_RNA)
where:
Base-Base interactions energy: -1250.751
where: short stacking energy: -531.856
Base-Backbone interact. energy: -1.638
local terms energy: -532.573136
where:
bonds (distance) C4'-P energy: -98.034
bonds (distance) P-C4' energy: -95.545
flat angles C4'-P-C4' energy: -110.188
flat angles P-C4'-P energy: -79.228
tors. eta vs tors. theta energy: -149.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1765.223841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.223841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.223841 (E_RNA)
where:
Base-Base interactions energy: -1227.408
where: short stacking energy: -525.526
Base-Backbone interact. energy: -0.210
local terms energy: -537.605615
where:
bonds (distance) C4'-P energy: -94.234
bonds (distance) P-C4' energy: -87.447
flat angles C4'-P-C4' energy: -115.867
flat angles P-C4'-P energy: -78.403
tors. eta vs tors. theta energy: -161.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1707.189778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.189778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.189778 (E_RNA)
where:
Base-Base interactions energy: -1207.297
where: short stacking energy: -501.339
Base-Backbone interact. energy: -1.541
local terms energy: -498.351147
where:
bonds (distance) C4'-P energy: -93.389
bonds (distance) P-C4' energy: -91.044
flat angles C4'-P-C4' energy: -98.849
flat angles P-C4'-P energy: -71.670
tors. eta vs tors. theta energy: -143.400
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: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1656.448042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.448042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.448042 (E_RNA)
where:
Base-Base interactions energy: -1178.056
where: short stacking energy: -476.295
Base-Backbone interact. energy: -0.112
local terms energy: -478.279438
where:
bonds (distance) C4'-P energy: -81.379
bonds (distance) P-C4' energy: -74.887
flat angles C4'-P-C4' energy: -100.418
flat angles P-C4'-P energy: -73.572
tors. eta vs tors. theta energy: -148.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1545.392931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.392931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.392931 (E_RNA)
where:
Base-Base interactions energy: -1078.436
where: short stacking energy: -446.773
Base-Backbone interact. energy: 0.699
local terms energy: -467.656333
where:
bonds (distance) C4'-P energy: -88.958
bonds (distance) P-C4' energy: -89.794
flat angles C4'-P-C4' energy: -99.187
flat angles P-C4'-P energy: -66.798
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: 416
Temperature: 1.200000
Total energy: -1309.029342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.029342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.029342 (E_RNA)
where:
Base-Base interactions energy: -899.879
where: short stacking energy: -360.740
Base-Backbone interact. energy: -3.991
local terms energy: -405.159373
where:
bonds (distance) C4'-P energy: -82.257
bonds (distance) P-C4' energy: -89.621
flat angles C4'-P-C4' energy: -85.007
flat angles P-C4'-P energy: -57.872
tors. eta vs tors. theta energy: -90.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1367.545829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.545829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.545829 (E_RNA)
where:
Base-Base interactions energy: -952.518
where: short stacking energy: -399.569
Base-Backbone interact. energy: -1.597
local terms energy: -413.430993
where:
bonds (distance) C4'-P energy: -72.920
bonds (distance) P-C4' energy: -71.106
flat angles C4'-P-C4' energy: -85.169
flat angles P-C4'-P energy: -65.059
tors. eta vs tors. theta energy: -119.177
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: 416
Temperature: 1.300000
Total energy: -863.843685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.843685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.843685 (E_RNA)
where:
Base-Base interactions energy: -552.585
where: short stacking energy: -254.494
Base-Backbone interact. energy: 1.171
local terms energy: -312.429003
where:
bonds (distance) C4'-P energy: -82.065
bonds (distance) P-C4' energy: -74.022
flat angles C4'-P-C4' energy: -67.275
flat angles P-C4'-P energy: -45.395
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: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -836.239961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.239961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.239961 (E_RNA)
where:
Base-Base interactions energy: -556.037
where: short stacking energy: -263.003
Base-Backbone interact. energy: 1.963
local terms energy: -282.166418
where:
bonds (distance) C4'-P energy: -69.168
bonds (distance) P-C4' energy: -85.029
flat angles C4'-P-C4' energy: -62.670
flat angles P-C4'-P energy: -41.213
tors. eta vs tors. theta energy: -24.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1830.670434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.670434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.670434 (E_RNA)
where:
Base-Base interactions energy: -1288.774
where: short stacking energy: -546.501
Base-Backbone interact. energy: -0.682
local terms energy: -541.214252
where:
bonds (distance) C4'-P energy: -99.367
bonds (distance) P-C4' energy: -102.441
flat angles C4'-P-C4' energy: -108.557
flat angles P-C4'-P energy: -75.085
tors. eta vs tors. theta energy: -155.764
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: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1782.764595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.764595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.764595 (E_RNA)
where:
Base-Base interactions energy: -1281.952
where: short stacking energy: -547.034
Base-Backbone interact. energy: -3.044
local terms energy: -497.768802
where:
bonds (distance) C4'-P energy: -87.248
bonds (distance) P-C4' energy: -79.541
flat angles C4'-P-C4' energy: -106.710
flat angles P-C4'-P energy: -71.537
tors. eta vs tors. theta energy: -152.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1757.913996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.913996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.913996 (E_RNA)
where:
Base-Base interactions energy: -1241.669
where: short stacking energy: -544.962
Base-Backbone interact. energy: -0.533
local terms energy: -515.711478
where:
bonds (distance) C4'-P energy: -85.343
bonds (distance) P-C4' energy: -95.575
flat angles C4'-P-C4' energy: -106.714
flat angles P-C4'-P energy: -73.919
tors. eta vs tors. theta energy: -154.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1673.698221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.698221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.698221 (E_RNA)
where:
Base-Base interactions energy: -1189.081
where: short stacking energy: -508.235
Base-Backbone interact. energy: -1.209
local terms energy: -483.407699
where:
bonds (distance) C4'-P energy: -91.937
bonds (distance) P-C4' energy: -99.899
flat angles C4'-P-C4' energy: -91.488
flat angles P-C4'-P energy: -64.148
tors. eta vs tors. theta energy: -135.936
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: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1646.150825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.150825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.150825 (E_RNA)
where:
Base-Base interactions energy: -1177.190
where: short stacking energy: -480.573
Base-Backbone interact. energy: 1.840
local terms energy: -470.800510
where:
bonds (distance) C4'-P energy: -76.434
bonds (distance) P-C4' energy: -93.227
flat angles C4'-P-C4' energy: -102.112
flat angles P-C4'-P energy: -61.325
tors. eta vs tors. theta energy: -137.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1526.249005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.249005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.249005 (E_RNA)
where:
Base-Base interactions energy: -1069.920
where: short stacking energy: -439.666
Base-Backbone interact. energy: -0.987
local terms energy: -455.342231
where:
bonds (distance) C4'-P energy: -79.519
bonds (distance) P-C4' energy: -80.471
flat angles C4'-P-C4' energy: -104.336
flat angles P-C4'-P energy: -68.950
tors. eta vs tors. theta energy: -122.065
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: 7, replica: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1321.603946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.603946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.603946 (E_RNA)
where:
Base-Base interactions energy: -925.248
where: short stacking energy: -385.374
Base-Backbone interact. energy: 1.251
local terms energy: -397.606780
where:
bonds (distance) C4'-P energy: -81.242
bonds (distance) P-C4' energy: -79.485
flat angles C4'-P-C4' energy: -82.703
flat angles P-C4'-P energy: -54.697
tors. eta vs tors. theta energy: -99.480
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: 417
Temperature: 1.250000
Total energy: -1387.786689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.786689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.786689 (E_RNA)
where:
Base-Base interactions energy: -980.214
where: short stacking energy: -412.654
Base-Backbone interact. energy: -1.719
local terms energy: -405.854022
where:
bonds (distance) C4'-P energy: -77.060
bonds (distance) P-C4' energy: -68.761
flat angles C4'-P-C4' energy: -98.108
flat angles P-C4'-P energy: -59.077
tors. eta vs tors. theta energy: -102.848
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: 417
Temperature: 1.300000
Total energy: -878.770550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.770550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.770550 (E_RNA)
where:
Base-Base interactions energy: -563.596
where: short stacking energy: -254.962
Base-Backbone interact. energy: -0.560
local terms energy: -314.613784
where:
bonds (distance) C4'-P energy: -79.019
bonds (distance) P-C4' energy: -72.541
flat angles C4'-P-C4' energy: -73.493
flat angles P-C4'-P energy: -44.799
tors. eta vs tors. theta energy: -44.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -851.145421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.145421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.145421 (E_RNA)
where:
Base-Base interactions energy: -548.473
where: short stacking energy: -227.024
Base-Backbone interact. energy: -1.795
local terms energy: -300.876870
where:
bonds (distance) C4'-P energy: -69.549
bonds (distance) P-C4' energy: -85.513
flat angles C4'-P-C4' energy: -65.981
flat angles P-C4'-P energy: -41.964
tors. eta vs tors. theta energy: -37.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1842.239638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.239638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.239638 (E_RNA)
where:
Base-Base interactions energy: -1306.452
where: short stacking energy: -544.388
Base-Backbone interact. energy: -0.646
local terms energy: -535.141346
where:
bonds (distance) C4'-P energy: -90.215
bonds (distance) P-C4' energy: -105.675
flat angles C4'-P-C4' energy: -117.557
flat angles P-C4'-P energy: -73.712
tors. eta vs tors. theta energy: -147.982
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: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1790.692152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.692152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.692152 (E_RNA)
where:
Base-Base interactions energy: -1253.232
where: short stacking energy: -533.685
Base-Backbone interact. energy: -3.911
local terms energy: -533.549397
where:
bonds (distance) C4'-P energy: -99.994
bonds (distance) P-C4' energy: -94.264
flat angles C4'-P-C4' energy: -106.045
flat angles P-C4'-P energy: -73.567
tors. eta vs tors. theta energy: -159.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1730.190884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.190884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.190884 (E_RNA)
where:
Base-Base interactions energy: -1213.472
where: short stacking energy: -493.582
Base-Backbone interact. energy: -1.227
local terms energy: -515.491574
where:
bonds (distance) C4'-P energy: -91.865
bonds (distance) P-C4' energy: -87.861
flat angles C4'-P-C4' energy: -112.024
flat angles P-C4'-P energy: -81.944
tors. eta vs tors. theta energy: -141.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1741.240250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.240250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.240250 (E_RNA)
where:
Base-Base interactions energy: -1250.636
where: short stacking energy: -510.694
Base-Backbone interact. energy: 1.722
local terms energy: -492.327161
where:
bonds (distance) C4'-P energy: -73.619
bonds (distance) P-C4' energy: -91.772
flat angles C4'-P-C4' energy: -100.516
flat angles P-C4'-P energy: -72.312
tors. eta vs tors. theta energy: -154.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1670.166082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.166082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.166082 (E_RNA)
where:
Base-Base interactions energy: -1201.924
where: short stacking energy: -490.042
Base-Backbone interact. energy: -1.518
local terms energy: -466.724063
where:
bonds (distance) C4'-P energy: -90.606
bonds (distance) P-C4' energy: -75.233
flat angles C4'-P-C4' energy: -102.579
flat angles P-C4'-P energy: -60.274
tors. eta vs tors. theta energy: -138.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1535.706788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.706788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.706788 (E_RNA)
where:
Base-Base interactions energy: -1081.175
where: short stacking energy: -467.069
Base-Backbone interact. energy: 1.523
local terms energy: -456.054167
where:
bonds (distance) C4'-P energy: -80.164
bonds (distance) P-C4' energy: -80.757
flat angles C4'-P-C4' energy: -98.689
flat angles P-C4'-P energy: -65.680
tors. eta vs tors. theta energy: -130.764
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: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1437.713184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.713184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.713184 (E_RNA)
where:
Base-Base interactions energy: -1018.952
where: short stacking energy: -401.487
Base-Backbone interact. energy: -0.197
local terms energy: -418.563911
where:
bonds (distance) C4'-P energy: -88.942
bonds (distance) P-C4' energy: -80.855
flat angles C4'-P-C4' energy: -86.900
flat angles P-C4'-P energy: -55.114
tors. eta vs tors. theta energy: -106.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1262.851395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.851395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.851395 (E_RNA)
where:
Base-Base interactions energy: -878.273
where: short stacking energy: -377.872
Base-Backbone interact. energy: -2.937
local terms energy: -381.641035
where:
bonds (distance) C4'-P energy: -66.681
bonds (distance) P-C4' energy: -78.876
flat angles C4'-P-C4' energy: -81.931
flat angles P-C4'-P energy: -58.345
tors. eta vs tors. theta energy: -95.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -898.455911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.455911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.455911 (E_RNA)
where:
Base-Base interactions energy: -560.288
where: short stacking energy: -266.417
Base-Backbone interact. energy: -2.218
local terms energy: -335.950253
where:
bonds (distance) C4'-P energy: -82.632
bonds (distance) P-C4' energy: -79.069
flat angles C4'-P-C4' energy: -76.873
flat angles P-C4'-P energy: -53.093
tors. eta vs tors. theta energy: -44.283
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: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -877.835381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.835381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.835381 (E_RNA)
where:
Base-Base interactions energy: -557.813
where: short stacking energy: -259.945
Base-Backbone interact. energy: -0.378
local terms energy: -319.644477
where:
bonds (distance) C4'-P energy: -59.601
bonds (distance) P-C4' energy: -84.048
flat angles C4'-P-C4' energy: -77.083
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -55.724
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: 419
Temperature: 0.900000
Total energy: -1857.778962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.778962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.778962 (E_RNA)
where:
Base-Base interactions energy: -1323.657
where: short stacking energy: -544.039
Base-Backbone interact. energy: -0.352
local terms energy: -533.769952
where:
bonds (distance) C4'-P energy: -100.113
bonds (distance) P-C4' energy: -101.238
flat angles C4'-P-C4' energy: -111.385
flat angles P-C4'-P energy: -72.513
tors. eta vs tors. theta energy: -148.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1754.475418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.475418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.475418 (E_RNA)
where:
Base-Base interactions energy: -1237.012
where: short stacking energy: -512.879
Base-Backbone interact. energy: -3.081
local terms energy: -514.382299
where:
bonds (distance) C4'-P energy: -92.117
bonds (distance) P-C4' energy: -99.649
flat angles C4'-P-C4' energy: -106.580
flat angles P-C4'-P energy: -69.094
tors. eta vs tors. theta energy: -146.944
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: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1786.387417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.387417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.387417 (E_RNA)
where:
Base-Base interactions energy: -1251.026
where: short stacking energy: -521.539
Base-Backbone interact. energy: -2.350
local terms energy: -533.011982
where:
bonds (distance) C4'-P energy: -100.550
bonds (distance) P-C4' energy: -92.529
flat angles C4'-P-C4' energy: -111.679
flat angles P-C4'-P energy: -81.684
tors. eta vs tors. theta energy: -146.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1704.295112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.295112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.295112 (E_RNA)
where:
Base-Base interactions energy: -1184.388
where: short stacking energy: -505.696
Base-Backbone interact. energy: -0.528
local terms energy: -519.379835
where:
bonds (distance) C4'-P energy: -95.885
bonds (distance) P-C4' energy: -96.859
flat angles C4'-P-C4' energy: -103.415
flat angles P-C4'-P energy: -69.465
tors. eta vs tors. theta energy: -153.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1634.639404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.639404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.639404 (E_RNA)
where:
Base-Base interactions energy: -1162.281
where: short stacking energy: -479.306
Base-Backbone interact. energy: -1.156
local terms energy: -471.202136
where:
bonds (distance) C4'-P energy: -77.974
bonds (distance) P-C4' energy: -93.170
flat angles C4'-P-C4' energy: -100.606
flat angles P-C4'-P energy: -70.827
tors. eta vs tors. theta energy: -128.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1516.493081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.493081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.493081 (E_RNA)
where:
Base-Base interactions energy: -1042.477
where: short stacking energy: -459.476
Base-Backbone interact. energy: 2.201
local terms energy: -476.217601
where:
bonds (distance) C4'-P energy: -89.148
bonds (distance) P-C4' energy: -90.281
flat angles C4'-P-C4' energy: -110.202
flat angles P-C4'-P energy: -66.762
tors. eta vs tors. theta energy: -119.823
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: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1520.087686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.087686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.087686 (E_RNA)
where:
Base-Base interactions energy: -1083.852
where: short stacking energy: -463.260
Base-Backbone interact. energy: -1.158
local terms energy: -435.078401
where:
bonds (distance) C4'-P energy: -67.569
bonds (distance) P-C4' energy: -76.992
flat angles C4'-P-C4' energy: -101.412
flat angles P-C4'-P energy: -68.981
tors. eta vs tors. theta energy: -120.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1231.160599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.160599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.160599 (E_RNA)
where:
Base-Base interactions energy: -830.962
where: short stacking energy: -349.200
Base-Backbone interact. energy: 1.686
local terms energy: -401.884766
where:
bonds (distance) C4'-P energy: -89.623
bonds (distance) P-C4' energy: -63.519
flat angles C4'-P-C4' energy: -98.546
flat angles P-C4'-P energy: -66.899
tors. eta vs tors. theta energy: -83.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -856.527633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.527633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.527633 (E_RNA)
where:
Base-Base interactions energy: -528.675
where: short stacking energy: -247.999
Base-Backbone interact. energy: 0.221
local terms energy: -328.073772
where:
bonds (distance) C4'-P energy: -68.559
bonds (distance) P-C4' energy: -90.365
flat angles C4'-P-C4' energy: -75.489
flat angles P-C4'-P energy: -54.488
tors. eta vs tors. theta energy: -39.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -888.525142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.525142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.525142 (E_RNA)
where:
Base-Base interactions energy: -573.708
where: short stacking energy: -250.099
Base-Backbone interact. energy: -1.887
local terms energy: -312.929941
where:
bonds (distance) C4'-P energy: -75.274
bonds (distance) P-C4' energy: -77.260
flat angles C4'-P-C4' energy: -70.658
flat angles P-C4'-P energy: -51.454
tors. eta vs tors. theta energy: -38.285
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: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1839.960071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.960071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.960071 (E_RNA)
where:
Base-Base interactions energy: -1295.495
where: short stacking energy: -532.242
Base-Backbone interact. energy: -2.074
local terms energy: -542.391237
where:
bonds (distance) C4'-P energy: -101.853
bonds (distance) P-C4' energy: -105.538
flat angles C4'-P-C4' energy: -110.104
flat angles P-C4'-P energy: -75.075
tors. eta vs tors. theta energy: -149.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1763.595531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.595531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.595531 (E_RNA)
where:
Base-Base interactions energy: -1254.245
where: short stacking energy: -534.335
Base-Backbone interact. energy: -1.836
local terms energy: -507.514002
where:
bonds (distance) C4'-P energy: -97.572
bonds (distance) P-C4' energy: -88.184
flat angles C4'-P-C4' energy: -104.940
flat angles P-C4'-P energy: -67.694
tors. eta vs tors. theta energy: -149.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1778.777456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.777456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.777456 (E_RNA)
where:
Base-Base interactions energy: -1250.799
where: short stacking energy: -510.513
Base-Backbone interact. energy: -0.137
local terms energy: -527.842083
where:
bonds (distance) C4'-P energy: -89.142
bonds (distance) P-C4' energy: -101.783
flat angles C4'-P-C4' energy: -111.991
flat angles P-C4'-P energy: -76.405
tors. eta vs tors. theta energy: -148.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1669.869901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.869901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.869901 (E_RNA)
where:
Base-Base interactions energy: -1172.800
where: short stacking energy: -503.160
Base-Backbone interact. energy: -1.502
local terms energy: -495.567639
where:
bonds (distance) C4'-P energy: -84.562
bonds (distance) P-C4' energy: -101.295
flat angles C4'-P-C4' energy: -105.185
flat angles P-C4'-P energy: -64.197
tors. eta vs tors. theta energy: -140.329
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: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1619.417920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.417920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.417920 (E_RNA)
where:
Base-Base interactions energy: -1155.519
where: short stacking energy: -478.575
Base-Backbone interact. energy: -2.177
local terms energy: -461.722359
where:
bonds (distance) C4'-P energy: -80.546
bonds (distance) P-C4' energy: -90.031
flat angles C4'-P-C4' energy: -105.438
flat angles P-C4'-P energy: -56.383
tors. eta vs tors. theta energy: -129.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1488.484206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.484206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.484206 (E_RNA)
where:
Base-Base interactions energy: -1053.054
where: short stacking energy: -420.066
Base-Backbone interact. energy: 0.111
local terms energy: -435.541319
where:
bonds (distance) C4'-P energy: -85.323
bonds (distance) P-C4' energy: -75.546
flat angles C4'-P-C4' energy: -91.843
flat angles P-C4'-P energy: -60.768
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: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1484.376835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.376835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.376835 (E_RNA)
where:
Base-Base interactions energy: -1056.202
where: short stacking energy: -440.951
Base-Backbone interact. energy: 4.551
local terms energy: -432.726100
where:
bonds (distance) C4'-P energy: -76.385
bonds (distance) P-C4' energy: -88.801
flat angles C4'-P-C4' energy: -100.429
flat angles P-C4'-P energy: -54.970
tors. eta vs tors. theta energy: -112.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1257.597218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.597218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.597218 (E_RNA)
where:
Base-Base interactions energy: -864.627
where: short stacking energy: -370.099
Base-Backbone interact. energy: 1.763
local terms energy: -394.733071
where:
bonds (distance) C4'-P energy: -73.017
bonds (distance) P-C4' energy: -85.291
flat angles C4'-P-C4' energy: -80.050
flat angles P-C4'-P energy: -62.083
tors. eta vs tors. theta energy: -94.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -919.726270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.726270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.726270 (E_RNA)
where:
Base-Base interactions energy: -572.488
where: short stacking energy: -254.300
Base-Backbone interact. energy: -0.443
local terms energy: -346.795777
where:
bonds (distance) C4'-P energy: -79.737
bonds (distance) P-C4' energy: -92.166
flat angles C4'-P-C4' energy: -72.113
flat angles P-C4'-P energy: -57.136
tors. eta vs tors. theta energy: -45.643
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: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -828.883843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.883843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.883843 (E_RNA)
where:
Base-Base interactions energy: -479.481
where: short stacking energy: -216.165
Base-Backbone interact. energy: -3.448
local terms energy: -345.955124
where:
bonds (distance) C4'-P energy: -81.257
bonds (distance) P-C4' energy: -89.227
flat angles C4'-P-C4' energy: -87.887
flat angles P-C4'-P energy: -43.299
tors. eta vs tors. theta energy: -44.286
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: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1838.082268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.082268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.082268 (E_RNA)
where:
Base-Base interactions energy: -1300.479
where: short stacking energy: -536.482
Base-Backbone interact. energy: -2.712
local terms energy: -534.891732
where:
bonds (distance) C4'-P energy: -84.821
bonds (distance) P-C4' energy: -100.191
flat angles C4'-P-C4' energy: -114.681
flat angles P-C4'-P energy: -79.785
tors. eta vs tors. theta energy: -155.413
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: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1768.716908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.716908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.716908 (E_RNA)
where:
Base-Base interactions energy: -1233.563
where: short stacking energy: -521.321
Base-Backbone interact. energy: -0.834
local terms energy: -534.320195
where:
bonds (distance) C4'-P energy: -86.204
bonds (distance) P-C4' energy: -103.000
flat angles C4'-P-C4' energy: -110.719
flat angles P-C4'-P energy: -86.414
tors. eta vs tors. theta energy: -147.983
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: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1786.041899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.041899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.041899 (E_RNA)
where:
Base-Base interactions energy: -1264.689
where: short stacking energy: -534.151
Base-Backbone interact. energy: -2.514
local terms energy: -518.839424
where:
bonds (distance) C4'-P energy: -85.054
bonds (distance) P-C4' energy: -95.127
flat angles C4'-P-C4' energy: -111.549
flat angles P-C4'-P energy: -72.375
tors. eta vs tors. theta energy: -154.735
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: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1707.452734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.452734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.452734 (E_RNA)
where:
Base-Base interactions energy: -1187.537
where: short stacking energy: -495.206
Base-Backbone interact. energy: 0.421
local terms energy: -520.336438
where:
bonds (distance) C4'-P energy: -92.837
bonds (distance) P-C4' energy: -95.455
flat angles C4'-P-C4' energy: -109.885
flat angles P-C4'-P energy: -65.378
tors. eta vs tors. theta energy: -156.781
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: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1645.247402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.247402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.247402 (E_RNA)
where:
Base-Base interactions energy: -1177.314
where: short stacking energy: -484.388
Base-Backbone interact. energy: -1.375
local terms energy: -466.558478
where:
bonds (distance) C4'-P energy: -65.664
bonds (distance) P-C4' energy: -92.110
flat angles C4'-P-C4' energy: -107.032
flat angles P-C4'-P energy: -67.093
tors. eta vs tors. theta energy: -134.659
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: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1524.187092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.187092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.187092 (E_RNA)
where:
Base-Base interactions energy: -1086.871
where: short stacking energy: -452.943
Base-Backbone interact. energy: -3.065
local terms energy: -434.251787
where:
bonds (distance) C4'-P energy: -75.300
bonds (distance) P-C4' energy: -79.430
flat angles C4'-P-C4' energy: -101.857
flat angles P-C4'-P energy: -57.737
tors. eta vs tors. theta energy: -119.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1468.758042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.758042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.758042 (E_RNA)
where:
Base-Base interactions energy: -1014.746
where: short stacking energy: -406.983
Base-Backbone interact. energy: -2.961
local terms energy: -451.050918
where:
bonds (distance) C4'-P energy: -88.702
bonds (distance) P-C4' energy: -94.553
flat angles C4'-P-C4' energy: -91.045
flat angles P-C4'-P energy: -67.191
tors. eta vs tors. theta energy: -109.560
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: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1238.969143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.969143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.969143 (E_RNA)
where:
Base-Base interactions energy: -826.624
where: short stacking energy: -353.119
Base-Backbone interact. energy: -2.544
local terms energy: -409.801229
where:
bonds (distance) C4'-P energy: -74.239
bonds (distance) P-C4' energy: -80.506
flat angles C4'-P-C4' energy: -89.465
flat angles P-C4'-P energy: -69.116
tors. eta vs tors. theta energy: -96.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -926.006656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.006656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.006656 (E_RNA)
where:
Base-Base interactions energy: -615.809
where: short stacking energy: -266.160
Base-Backbone interact. energy: 5.766
local terms energy: -315.963758
where:
bonds (distance) C4'-P energy: -84.778
bonds (distance) P-C4' energy: -74.741
flat angles C4'-P-C4' energy: -68.156
flat angles P-C4'-P energy: -44.163
tors. eta vs tors. theta energy: -44.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -835.846005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.846005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.846005 (E_RNA)
where:
Base-Base interactions energy: -525.195
where: short stacking energy: -248.191
Base-Backbone interact. energy: 4.025
local terms energy: -314.675982
where:
bonds (distance) C4'-P energy: -78.970
bonds (distance) P-C4' energy: -74.613
flat angles C4'-P-C4' energy: -69.349
flat angles P-C4'-P energy: -51.365
tors. eta vs tors. theta energy: -40.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1828.683316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.683316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.683316 (E_RNA)
where:
Base-Base interactions energy: -1293.345
where: short stacking energy: -530.850
Base-Backbone interact. energy: -3.869
local terms energy: -531.469549
where:
bonds (distance) C4'-P energy: -102.720
bonds (distance) P-C4' energy: -93.233
flat angles C4'-P-C4' energy: -119.100
flat angles P-C4'-P energy: -67.355
tors. eta vs tors. theta energy: -149.062
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: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1775.050376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.050376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.050376 (E_RNA)
where:
Base-Base interactions energy: -1255.765
where: short stacking energy: -532.040
Base-Backbone interact. energy: -1.968
local terms energy: -517.316932
where:
bonds (distance) C4'-P energy: -94.284
bonds (distance) P-C4' energy: -95.899
flat angles C4'-P-C4' energy: -102.982
flat angles P-C4'-P energy: -74.213
tors. eta vs tors. theta energy: -149.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1772.733328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.733328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.733328 (E_RNA)
where:
Base-Base interactions energy: -1243.502
where: short stacking energy: -522.232
Base-Backbone interact. energy: -2.168
local terms energy: -527.063553
where:
bonds (distance) C4'-P energy: -97.232
bonds (distance) P-C4' energy: -97.324
flat angles C4'-P-C4' energy: -109.527
flat angles P-C4'-P energy: -73.341
tors. eta vs tors. theta energy: -149.639
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: 422
Temperature: 1.050000
Total energy: -1722.182119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.182119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.182119 (E_RNA)
where:
Base-Base interactions energy: -1188.100
where: short stacking energy: -512.709
Base-Backbone interact. energy: -1.708
local terms energy: -532.373810
where:
bonds (distance) C4'-P energy: -90.216
bonds (distance) P-C4' energy: -108.056
flat angles C4'-P-C4' energy: -111.597
flat angles P-C4'-P energy: -72.186
tors. eta vs tors. theta energy: -150.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1605.086349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.086349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.086349 (E_RNA)
where:
Base-Base interactions energy: -1144.166
where: short stacking energy: -462.990
Base-Backbone interact. energy: 0.815
local terms energy: -461.735966
where:
bonds (distance) C4'-P energy: -82.727
bonds (distance) P-C4' energy: -68.132
flat angles C4'-P-C4' energy: -112.724
flat angles P-C4'-P energy: -73.103
tors. eta vs tors. theta energy: -125.050
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: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1510.522007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.522007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.522007 (E_RNA)
where:
Base-Base interactions energy: -1069.083
where: short stacking energy: -458.872
Base-Backbone interact. energy: 1.496
local terms energy: -442.934137
where:
bonds (distance) C4'-P energy: -64.737
bonds (distance) P-C4' energy: -80.113
flat angles C4'-P-C4' energy: -113.069
flat angles P-C4'-P energy: -71.227
tors. eta vs tors. theta energy: -113.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1475.408055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.408055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.408055 (E_RNA)
where:
Base-Base interactions energy: -1033.601
where: short stacking energy: -446.033
Base-Backbone interact. energy: 0.995
local terms energy: -442.802309
where:
bonds (distance) C4'-P energy: -77.520
bonds (distance) P-C4' energy: -86.572
flat angles C4'-P-C4' energy: -94.432
flat angles P-C4'-P energy: -59.576
tors. eta vs tors. theta energy: -124.702
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: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1198.239903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.239903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.239903 (E_RNA)
where:
Base-Base interactions energy: -815.846
where: short stacking energy: -334.798
Base-Backbone interact. energy: 2.921
local terms energy: -385.313979
where:
bonds (distance) C4'-P energy: -57.388
bonds (distance) P-C4' energy: -84.752
flat angles C4'-P-C4' energy: -97.098
flat angles P-C4'-P energy: -53.537
tors. eta vs tors. theta energy: -92.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -919.164027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.164027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.164027 (E_RNA)
where:
Base-Base interactions energy: -579.086
where: short stacking energy: -245.580
Base-Backbone interact. energy: 2.301
local terms energy: -342.378950
where:
bonds (distance) C4'-P energy: -95.066
bonds (distance) P-C4' energy: -93.835
flat angles C4'-P-C4' energy: -73.129
flat angles P-C4'-P energy: -40.723
tors. eta vs tors. theta energy: -39.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -867.789809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.789809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.789809 (E_RNA)
where:
Base-Base interactions energy: -563.070
where: short stacking energy: -256.072
Base-Backbone interact. energy: -2.579
local terms energy: -302.141281
where:
bonds (distance) C4'-P energy: -71.371
bonds (distance) P-C4' energy: -86.686
flat angles C4'-P-C4' energy: -68.589
flat angles P-C4'-P energy: -32.835
tors. eta vs tors. theta energy: -42.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1841.865904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.865904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.865904 (E_RNA)
where:
Base-Base interactions energy: -1287.971
where: short stacking energy: -533.398
Base-Backbone interact. energy: -1.784
local terms energy: -552.111020
where:
bonds (distance) C4'-P energy: -97.034
bonds (distance) P-C4' energy: -104.076
flat angles C4'-P-C4' energy: -119.542
flat angles P-C4'-P energy: -77.032
tors. eta vs tors. theta energy: -154.427
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: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1774.421391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.421391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.421391 (E_RNA)
where:
Base-Base interactions energy: -1241.197
where: short stacking energy: -505.574
Base-Backbone interact. energy: -2.276
local terms energy: -530.948338
where:
bonds (distance) C4'-P energy: -97.874
bonds (distance) P-C4' energy: -100.453
flat angles C4'-P-C4' energy: -104.911
flat angles P-C4'-P energy: -78.412
tors. eta vs tors. theta energy: -149.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1775.346245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.346245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.346245 (E_RNA)
where:
Base-Base interactions energy: -1260.686
where: short stacking energy: -493.583
Base-Backbone interact. energy: -1.735
local terms energy: -512.924916
where:
bonds (distance) C4'-P energy: -94.071
bonds (distance) P-C4' energy: -87.444
flat angles C4'-P-C4' energy: -113.793
flat angles P-C4'-P energy: -78.111
tors. eta vs tors. theta energy: -139.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1710.664963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.664963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.664963 (E_RNA)
where:
Base-Base interactions energy: -1199.184
where: short stacking energy: -522.642
Base-Backbone interact. energy: -1.826
local terms energy: -509.654109
where:
bonds (distance) C4'-P energy: -79.974
bonds (distance) P-C4' energy: -90.141
flat angles C4'-P-C4' energy: -109.205
flat angles P-C4'-P energy: -71.842
tors. eta vs tors. theta energy: -158.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1633.453294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.453294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.453294 (E_RNA)
where:
Base-Base interactions energy: -1149.172
where: short stacking energy: -484.418
Base-Backbone interact. energy: -1.991
local terms energy: -482.290470
where:
bonds (distance) C4'-P energy: -86.036
bonds (distance) P-C4' energy: -78.527
flat angles C4'-P-C4' energy: -110.772
flat angles P-C4'-P energy: -70.434
tors. eta vs tors. theta energy: -136.522
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: 423
Temperature: 1.150000
Total energy: -1511.716154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.716154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.716154 (E_RNA)
where:
Base-Base interactions energy: -1060.028
where: short stacking energy: -422.755
Base-Backbone interact. energy: -1.420
local terms energy: -450.268679
where:
bonds (distance) C4'-P energy: -73.981
bonds (distance) P-C4' energy: -84.674
flat angles C4'-P-C4' energy: -96.309
flat angles P-C4'-P energy: -76.116
tors. eta vs tors. theta energy: -119.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1488.149896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.149896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.149896 (E_RNA)
where:
Base-Base interactions energy: -1051.794
where: short stacking energy: -418.323
Base-Backbone interact. energy: -2.775
local terms energy: -433.580411
where:
bonds (distance) C4'-P energy: -73.938
bonds (distance) P-C4' energy: -75.844
flat angles C4'-P-C4' energy: -100.486
flat angles P-C4'-P energy: -66.855
tors. eta vs tors. theta energy: -116.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1213.267020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.267020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.267020 (E_RNA)
where:
Base-Base interactions energy: -826.449
where: short stacking energy: -365.149
Base-Backbone interact. energy: 1.311
local terms energy: -388.128475
where:
bonds (distance) C4'-P energy: -72.357
bonds (distance) P-C4' energy: -75.974
flat angles C4'-P-C4' energy: -100.168
flat angles P-C4'-P energy: -46.003
tors. eta vs tors. theta energy: -93.627
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: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -945.877538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.877538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.877538 (E_RNA)
where:
Base-Base interactions energy: -593.438
where: short stacking energy: -257.448
Base-Backbone interact. energy: -1.110
local terms energy: -351.328751
where:
bonds (distance) C4'-P energy: -80.791
bonds (distance) P-C4' energy: -73.572
flat angles C4'-P-C4' energy: -76.708
flat angles P-C4'-P energy: -57.428
tors. eta vs tors. theta energy: -62.829
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: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -876.420693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.420693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.420693 (E_RNA)
where:
Base-Base interactions energy: -544.408
where: short stacking energy: -243.812
Base-Backbone interact. energy: -0.074
local terms energy: -331.938823
where:
bonds (distance) C4'-P energy: -74.192
bonds (distance) P-C4' energy: -85.594
flat angles C4'-P-C4' energy: -80.186
flat angles P-C4'-P energy: -47.576
tors. eta vs tors. theta energy: -44.391
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: 424
Temperature: 0.900000
Total energy: -1826.313211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.313211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.313211 (E_RNA)
where:
Base-Base interactions energy: -1269.247
where: short stacking energy: -531.946
Base-Backbone interact. energy: -0.721
local terms energy: -556.344891
where:
bonds (distance) C4'-P energy: -105.790
bonds (distance) P-C4' energy: -105.339
flat angles C4'-P-C4' energy: -113.778
flat angles P-C4'-P energy: -75.980
tors. eta vs tors. theta energy: -155.457
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: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1802.615002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.615002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.615002 (E_RNA)
where:
Base-Base interactions energy: -1272.810
where: short stacking energy: -544.532
Base-Backbone interact. energy: -3.262
local terms energy: -526.543190
where:
bonds (distance) C4'-P energy: -82.455
bonds (distance) P-C4' energy: -93.221
flat angles C4'-P-C4' energy: -113.903
flat angles P-C4'-P energy: -80.280
tors. eta vs tors. theta energy: -156.684
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: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1780.298824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.298824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.298824 (E_RNA)
where:
Base-Base interactions energy: -1263.235
where: short stacking energy: -519.827
Base-Backbone interact. energy: 0.649
local terms energy: -517.713408
where:
bonds (distance) C4'-P energy: -91.589
bonds (distance) P-C4' energy: -94.418
flat angles C4'-P-C4' energy: -104.061
flat angles P-C4'-P energy: -79.448
tors. eta vs tors. theta energy: -148.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1704.805452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.805452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.805452 (E_RNA)
where:
Base-Base interactions energy: -1201.596
where: short stacking energy: -510.477
Base-Backbone interact. energy: -1.601
local terms energy: -501.607758
where:
bonds (distance) C4'-P energy: -89.892
bonds (distance) P-C4' energy: -74.203
flat angles C4'-P-C4' energy: -103.728
flat angles P-C4'-P energy: -80.323
tors. eta vs tors. theta energy: -153.462
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: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1605.140262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.140262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.140262 (E_RNA)
where:
Base-Base interactions energy: -1125.110
where: short stacking energy: -477.332
Base-Backbone interact. energy: -2.635
local terms energy: -477.395828
where:
bonds (distance) C4'-P energy: -83.633
bonds (distance) P-C4' energy: -77.663
flat angles C4'-P-C4' energy: -113.730
flat angles P-C4'-P energy: -68.730
tors. eta vs tors. theta energy: -133.640
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: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1496.946047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.946047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.946047 (E_RNA)
where:
Base-Base interactions energy: -1052.761
where: short stacking energy: -435.958
Base-Backbone interact. energy: -3.076
local terms energy: -441.109265
where:
bonds (distance) C4'-P energy: -77.431
bonds (distance) P-C4' energy: -82.665
flat angles C4'-P-C4' energy: -99.346
flat angles P-C4'-P energy: -66.911
tors. eta vs tors. theta energy: -114.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1425.092956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.092956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.092956 (E_RNA)
where:
Base-Base interactions energy: -1018.906
where: short stacking energy: -415.168
Base-Backbone interact. energy: 0.775
local terms energy: -406.961657
where:
bonds (distance) C4'-P energy: -82.814
bonds (distance) P-C4' energy: -81.455
flat angles C4'-P-C4' energy: -77.418
flat angles P-C4'-P energy: -54.604
tors. eta vs tors. theta energy: -110.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1181.845988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.845988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.845988 (E_RNA)
where:
Base-Base interactions energy: -784.292
where: short stacking energy: -336.485
Base-Backbone interact. energy: 2.446
local terms energy: -400.000566
where:
bonds (distance) C4'-P energy: -82.530
bonds (distance) P-C4' energy: -89.043
flat angles C4'-P-C4' energy: -97.929
flat angles P-C4'-P energy: -50.761
tors. eta vs tors. theta energy: -79.737
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: 424
Temperature: 1.300000
Total energy: -940.168087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.168087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.168087 (E_RNA)
where:
Base-Base interactions energy: -604.864
where: short stacking energy: -268.744
Base-Backbone interact. energy: -2.309
local terms energy: -332.994438
where:
bonds (distance) C4'-P energy: -70.415
bonds (distance) P-C4' energy: -80.164
flat angles C4'-P-C4' energy: -72.379
flat angles P-C4'-P energy: -62.429
tors. eta vs tors. theta energy: -47.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -887.635388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.635388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.635388 (E_RNA)
where:
Base-Base interactions energy: -571.049
where: short stacking energy: -250.506
Base-Backbone interact. energy: 3.141
local terms energy: -319.727199
where:
bonds (distance) C4'-P energy: -68.574
bonds (distance) P-C4' energy: -76.908
flat angles C4'-P-C4' energy: -76.290
flat angles P-C4'-P energy: -52.790
tors. eta vs tors. theta energy: -45.166
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: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1835.949852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.949852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.949852 (E_RNA)
where:
Base-Base interactions energy: -1283.441
where: short stacking energy: -531.280
Base-Backbone interact. energy: -0.219
local terms energy: -552.289857
where:
bonds (distance) C4'-P energy: -101.305
bonds (distance) P-C4' energy: -94.732
flat angles C4'-P-C4' energy: -118.993
flat angles P-C4'-P energy: -81.692
tors. eta vs tors. theta energy: -155.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1788.523244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.523244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.523244 (E_RNA)
where:
Base-Base interactions energy: -1249.987
where: short stacking energy: -529.104
Base-Backbone interact. energy: -1.036
local terms energy: -537.500440
where:
bonds (distance) C4'-P energy: -82.484
bonds (distance) P-C4' energy: -102.052
flat angles C4'-P-C4' energy: -114.271
flat angles P-C4'-P energy: -82.036
tors. eta vs tors. theta energy: -156.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1768.887947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.887947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.887947 (E_RNA)
where:
Base-Base interactions energy: -1264.440
where: short stacking energy: -533.106
Base-Backbone interact. energy: -1.913
local terms energy: -502.535188
where:
bonds (distance) C4'-P energy: -96.137
bonds (distance) P-C4' energy: -80.390
flat angles C4'-P-C4' energy: -105.107
flat angles P-C4'-P energy: -74.528
tors. eta vs tors. theta energy: -146.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1698.362409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.362409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.362409 (E_RNA)
where:
Base-Base interactions energy: -1190.288
where: short stacking energy: -491.228
Base-Backbone interact. energy: -0.991
local terms energy: -507.083345
where:
bonds (distance) C4'-P energy: -88.437
bonds (distance) P-C4' energy: -92.565
flat angles C4'-P-C4' energy: -113.367
flat angles P-C4'-P energy: -65.551
tors. eta vs tors. theta energy: -147.163
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: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1606.218851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.218851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.218851 (E_RNA)
where:
Base-Base interactions energy: -1132.570
where: short stacking energy: -472.437
Base-Backbone interact. energy: -2.433
local terms energy: -471.215609
where:
bonds (distance) C4'-P energy: -77.902
bonds (distance) P-C4' energy: -85.652
flat angles C4'-P-C4' energy: -109.917
flat angles P-C4'-P energy: -66.445
tors. eta vs tors. theta energy: -131.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1476.854931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.854931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.854931 (E_RNA)
where:
Base-Base interactions energy: -1021.432
where: short stacking energy: -426.715
Base-Backbone interact. energy: -2.130
local terms energy: -453.293001
where:
bonds (distance) C4'-P energy: -88.774
bonds (distance) P-C4' energy: -88.725
flat angles C4'-P-C4' energy: -100.589
flat angles P-C4'-P energy: -56.467
tors. eta vs tors. theta energy: -118.738
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: 7, replica: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1432.998916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.998916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.998916 (E_RNA)
where:
Base-Base interactions energy: -1001.328
where: short stacking energy: -420.283
Base-Backbone interact. energy: 0.221
local terms energy: -431.892246
where:
bonds (distance) C4'-P energy: -79.536
bonds (distance) P-C4' energy: -77.773
flat angles C4'-P-C4' energy: -96.196
flat angles P-C4'-P energy: -66.915
tors. eta vs tors. theta energy: -111.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1209.463271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.463271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.463271 (E_RNA)
where:
Base-Base interactions energy: -814.723
where: short stacking energy: -342.383
Base-Backbone interact. energy: -3.109
local terms energy: -391.631245
where:
bonds (distance) C4'-P energy: -73.035
bonds (distance) P-C4' energy: -95.660
flat angles C4'-P-C4' energy: -79.015
flat angles P-C4'-P energy: -51.875
tors. eta vs tors. theta energy: -92.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -909.115936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.115936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.115936 (E_RNA)
where:
Base-Base interactions energy: -576.756
where: short stacking energy: -283.227
Base-Backbone interact. energy: -0.754
local terms energy: -331.605449
where:
bonds (distance) C4'-P energy: -61.414
bonds (distance) P-C4' energy: -101.033
flat angles C4'-P-C4' energy: -66.236
flat angles P-C4'-P energy: -38.966
tors. eta vs tors. theta energy: -63.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -833.666466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.666466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.666466 (E_RNA)
where:
Base-Base interactions energy: -544.156
where: short stacking energy: -243.219
Base-Backbone interact. energy: -0.535
local terms energy: -288.975924
where:
bonds (distance) C4'-P energy: -66.522
bonds (distance) P-C4' energy: -88.450
flat angles C4'-P-C4' energy: -67.784
flat angles P-C4'-P energy: -41.952
tors. eta vs tors. theta energy: -24.268
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: 426
Temperature: 0.900000
Total energy: -1831.597907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.597907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.597907 (E_RNA)
where:
Base-Base interactions energy: -1300.182
where: short stacking energy: -558.602
Base-Backbone interact. energy: -1.247
local terms energy: -530.168597
where:
bonds (distance) C4'-P energy: -98.868
bonds (distance) P-C4' energy: -82.477
flat angles C4'-P-C4' energy: -114.249
flat angles P-C4'-P energy: -79.848
tors. eta vs tors. theta energy: -154.727
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: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1793.111901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.111901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.111901 (E_RNA)
where:
Base-Base interactions energy: -1254.240
where: short stacking energy: -509.728
Base-Backbone interact. energy: -2.223
local terms energy: -536.648234
where:
bonds (distance) C4'-P energy: -99.906
bonds (distance) P-C4' energy: -103.117
flat angles C4'-P-C4' energy: -113.330
flat angles P-C4'-P energy: -77.769
tors. eta vs tors. theta energy: -142.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1791.727546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.727546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.727546 (E_RNA)
where:
Base-Base interactions energy: -1266.427
where: short stacking energy: -533.865
Base-Backbone interact. energy: -3.730
local terms energy: -521.571095
where:
bonds (distance) C4'-P energy: -87.141
bonds (distance) P-C4' energy: -91.742
flat angles C4'-P-C4' energy: -106.230
flat angles P-C4'-P energy: -82.856
tors. eta vs tors. theta energy: -153.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1710.306150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.306150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.306150 (E_RNA)
where:
Base-Base interactions energy: -1218.480
where: short stacking energy: -518.704
Base-Backbone interact. energy: -2.483
local terms energy: -489.343170
where:
bonds (distance) C4'-P energy: -88.627
bonds (distance) P-C4' energy: -81.855
flat angles C4'-P-C4' energy: -106.852
flat angles P-C4'-P energy: -66.446
tors. eta vs tors. theta energy: -145.562
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: 426
Temperature: 1.100000
Total energy: -1608.625203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.625203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.625203 (E_RNA)
where:
Base-Base interactions energy: -1131.185
where: short stacking energy: -487.167
Base-Backbone interact. energy: -1.584
local terms energy: -475.856056
where:
bonds (distance) C4'-P energy: -84.143
bonds (distance) P-C4' energy: -91.789
flat angles C4'-P-C4' energy: -98.845
flat angles P-C4'-P energy: -70.992
tors. eta vs tors. theta energy: -130.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1484.909469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.909469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.909469 (E_RNA)
where:
Base-Base interactions energy: -1027.748
where: short stacking energy: -430.189
Base-Backbone interact. energy: -1.596
local terms energy: -455.564723
where:
bonds (distance) C4'-P energy: -59.709
bonds (distance) P-C4' energy: -94.353
flat angles C4'-P-C4' energy: -104.767
flat angles P-C4'-P energy: -76.612
tors. eta vs tors. theta energy: -120.125
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: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1437.526786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.526786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.526786 (E_RNA)
where:
Base-Base interactions energy: -1021.559
where: short stacking energy: -401.414
Base-Backbone interact. energy: -1.593
local terms energy: -414.375753
where:
bonds (distance) C4'-P energy: -78.462
bonds (distance) P-C4' energy: -87.238
flat angles C4'-P-C4' energy: -82.343
flat angles P-C4'-P energy: -51.734
tors. eta vs tors. theta energy: -114.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1205.382559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.382559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.382559 (E_RNA)
where:
Base-Base interactions energy: -782.109
where: short stacking energy: -325.899
Base-Backbone interact. energy: -2.247
local terms energy: -421.025635
where:
bonds (distance) C4'-P energy: -87.253
bonds (distance) P-C4' energy: -91.221
flat angles C4'-P-C4' energy: -94.120
flat angles P-C4'-P energy: -60.417
tors. eta vs tors. theta energy: -88.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -915.636794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.636794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.636794 (E_RNA)
where:
Base-Base interactions energy: -586.653
where: short stacking energy: -280.967
Base-Backbone interact. energy: 5.385
local terms energy: -334.368434
where:
bonds (distance) C4'-P energy: -85.610
bonds (distance) P-C4' energy: -69.262
flat angles C4'-P-C4' energy: -89.377
flat angles P-C4'-P energy: -39.656
tors. eta vs tors. theta energy: -50.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -892.485648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.485648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.485648 (E_RNA)
where:
Base-Base interactions energy: -589.846
where: short stacking energy: -252.505
Base-Backbone interact. energy: 1.489
local terms energy: -304.129135
where:
bonds (distance) C4'-P energy: -90.189
bonds (distance) P-C4' energy: -56.819
flat angles C4'-P-C4' energy: -65.931
flat angles P-C4'-P energy: -45.123
tors. eta vs tors. theta energy: -46.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1826.238906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.238906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.238906 (E_RNA)
where:
Base-Base interactions energy: -1278.866
where: short stacking energy: -549.473
Base-Backbone interact. energy: -0.695
local terms energy: -546.677833
where:
bonds (distance) C4'-P energy: -102.927
bonds (distance) P-C4' energy: -94.815
flat angles C4'-P-C4' energy: -109.298
flat angles P-C4'-P energy: -83.540
tors. eta vs tors. theta energy: -156.098
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: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1820.509052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.509052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.509052 (E_RNA)
where:
Base-Base interactions energy: -1270.601
where: short stacking energy: -512.637
Base-Backbone interact. energy: -0.952
local terms energy: -548.956034
where:
bonds (distance) C4'-P energy: -101.130
bonds (distance) P-C4' energy: -106.367
flat angles C4'-P-C4' energy: -110.725
flat angles P-C4'-P energy: -81.846
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: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1740.098805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.098805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.098805 (E_RNA)
where:
Base-Base interactions energy: -1228.034
where: short stacking energy: -504.786
Base-Backbone interact. energy: -1.399
local terms energy: -510.665339
where:
bonds (distance) C4'-P energy: -86.988
bonds (distance) P-C4' energy: -89.268
flat angles C4'-P-C4' energy: -108.506
flat angles P-C4'-P energy: -79.600
tors. eta vs tors. theta energy: -146.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1677.261476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.261476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.261476 (E_RNA)
where:
Base-Base interactions energy: -1180.466
where: short stacking energy: -497.599
Base-Backbone interact. energy: -0.633
local terms energy: -496.162884
where:
bonds (distance) C4'-P energy: -90.034
bonds (distance) P-C4' energy: -82.143
flat angles C4'-P-C4' energy: -107.699
flat angles P-C4'-P energy: -72.773
tors. eta vs tors. theta energy: -143.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1642.622681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.622681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.622681 (E_RNA)
where:
Base-Base interactions energy: -1163.433
where: short stacking energy: -485.928
Base-Backbone interact. energy: -0.411
local terms energy: -478.779305
where:
bonds (distance) C4'-P energy: -68.042
bonds (distance) P-C4' energy: -92.807
flat angles C4'-P-C4' energy: -99.774
flat angles P-C4'-P energy: -82.581
tors. eta vs tors. theta energy: -135.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1522.822037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.822037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.822037 (E_RNA)
where:
Base-Base interactions energy: -1093.445
where: short stacking energy: -452.126
Base-Backbone interact. energy: -2.309
local terms energy: -427.068265
where:
bonds (distance) C4'-P energy: -65.850
bonds (distance) P-C4' energy: -85.546
flat angles C4'-P-C4' energy: -102.793
flat angles P-C4'-P energy: -49.752
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: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1416.526160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.526160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.526160 (E_RNA)
where:
Base-Base interactions energy: -993.886
where: short stacking energy: -391.466
Base-Backbone interact. energy: -1.281
local terms energy: -421.358351
where:
bonds (distance) C4'-P energy: -63.091
bonds (distance) P-C4' energy: -82.474
flat angles C4'-P-C4' energy: -96.698
flat angles P-C4'-P energy: -63.673
tors. eta vs tors. theta energy: -115.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1239.394918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.394918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.394918 (E_RNA)
where:
Base-Base interactions energy: -850.157
where: short stacking energy: -355.475
Base-Backbone interact. energy: -1.497
local terms energy: -387.740751
where:
bonds (distance) C4'-P energy: -81.757
bonds (distance) P-C4' energy: -85.484
flat angles C4'-P-C4' energy: -84.439
flat angles P-C4'-P energy: -40.977
tors. eta vs tors. theta energy: -95.083
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: 427
Temperature: 1.300000
Total energy: -936.118941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.118941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.118941 (E_RNA)
where:
Base-Base interactions energy: -571.818
where: short stacking energy: -256.591
Base-Backbone interact. energy: -2.240
local terms energy: -362.060564
where:
bonds (distance) C4'-P energy: -93.661
bonds (distance) P-C4' energy: -76.058
flat angles C4'-P-C4' energy: -90.360
flat angles P-C4'-P energy: -54.273
tors. eta vs tors. theta energy: -47.708
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: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -904.618818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.618818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.618818 (E_RNA)
where:
Base-Base interactions energy: -584.143
where: short stacking energy: -251.652
Base-Backbone interact. energy: 1.758
local terms energy: -322.233138
where:
bonds (distance) C4'-P energy: -72.039
bonds (distance) P-C4' energy: -69.413
flat angles C4'-P-C4' energy: -79.464
flat angles P-C4'-P energy: -51.285
tors. eta vs tors. theta energy: -50.033
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: 428
Temperature: 0.900000
Total energy: -1849.131611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.131611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.131611 (E_RNA)
where:
Base-Base interactions energy: -1300.766
where: short stacking energy: -550.964
Base-Backbone interact. energy: -2.382
local terms energy: -545.983075
where:
bonds (distance) C4'-P energy: -86.233
bonds (distance) P-C4' energy: -104.397
flat angles C4'-P-C4' energy: -111.432
flat angles P-C4'-P energy: -85.886
tors. eta vs tors. theta energy: -158.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1855.435633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.435633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.435633 (E_RNA)
where:
Base-Base interactions energy: -1307.562
where: short stacking energy: -535.368
Base-Backbone interact. energy: -4.359
local terms energy: -543.515382
where:
bonds (distance) C4'-P energy: -93.047
bonds (distance) P-C4' energy: -101.447
flat angles C4'-P-C4' energy: -110.267
flat angles P-C4'-P energy: -79.767
tors. eta vs tors. theta energy: -158.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1730.912559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.912559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.912559 (E_RNA)
where:
Base-Base interactions energy: -1229.905
where: short stacking energy: -523.139
Base-Backbone interact. energy: -1.491
local terms energy: -499.517203
where:
bonds (distance) C4'-P energy: -89.753
bonds (distance) P-C4' energy: -82.656
flat angles C4'-P-C4' energy: -108.596
flat angles P-C4'-P energy: -70.295
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: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1731.647502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.647502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.647502 (E_RNA)
where:
Base-Base interactions energy: -1210.673
where: short stacking energy: -493.106
Base-Backbone interact. energy: -3.758
local terms energy: -517.216417
where:
bonds (distance) C4'-P energy: -105.072
bonds (distance) P-C4' energy: -94.491
flat angles C4'-P-C4' energy: -100.456
flat angles P-C4'-P energy: -70.341
tors. eta vs tors. theta energy: -146.857
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: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1633.817689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.817689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.817689 (E_RNA)
where:
Base-Base interactions energy: -1144.512
where: short stacking energy: -459.846
Base-Backbone interact. energy: 0.307
local terms energy: -489.613014
where:
bonds (distance) C4'-P energy: -89.766
bonds (distance) P-C4' energy: -91.120
flat angles C4'-P-C4' energy: -114.001
flat angles P-C4'-P energy: -67.428
tors. eta vs tors. theta energy: -127.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1492.515976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.515976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.515976 (E_RNA)
where:
Base-Base interactions energy: -1053.170
where: short stacking energy: -444.979
Base-Backbone interact. energy: 1.180
local terms energy: -440.525346
where:
bonds (distance) C4'-P energy: -86.790
bonds (distance) P-C4' energy: -85.724
flat angles C4'-P-C4' energy: -100.092
flat angles P-C4'-P energy: -48.703
tors. eta vs tors. theta energy: -119.216
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: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1422.073756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.073756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.073756 (E_RNA)
where:
Base-Base interactions energy: -986.981
where: short stacking energy: -410.966
Base-Backbone interact. energy: -2.856
local terms energy: -432.236862
where:
bonds (distance) C4'-P energy: -78.395
bonds (distance) P-C4' energy: -87.224
flat angles C4'-P-C4' energy: -95.084
flat angles P-C4'-P energy: -63.445
tors. eta vs tors. theta energy: -108.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1236.968270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.968270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.968270 (E_RNA)
where:
Base-Base interactions energy: -873.753
where: short stacking energy: -363.474
Base-Backbone interact. energy: -2.262
local terms energy: -360.953740
where:
bonds (distance) C4'-P energy: -71.444
bonds (distance) P-C4' energy: -76.001
flat angles C4'-P-C4' energy: -83.865
flat angles P-C4'-P energy: -43.060
tors. eta vs tors. theta energy: -86.584
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: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -953.945411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.945411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.945411 (E_RNA)
where:
Base-Base interactions energy: -625.693
where: short stacking energy: -281.694
Base-Backbone interact. energy: 4.100
local terms energy: -332.352235
where:
bonds (distance) C4'-P energy: -64.551
bonds (distance) P-C4' energy: -78.151
flat angles C4'-P-C4' energy: -84.683
flat angles P-C4'-P energy: -55.077
tors. eta vs tors. theta energy: -49.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -887.878012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.878012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.878012 (E_RNA)
where:
Base-Base interactions energy: -562.201
where: short stacking energy: -259.516
Base-Backbone interact. energy: 1.157
local terms energy: -326.834443
where:
bonds (distance) C4'-P energy: -73.181
bonds (distance) P-C4' energy: -85.693
flat angles C4'-P-C4' energy: -63.506
flat angles P-C4'-P energy: -48.954
tors. eta vs tors. theta energy: -55.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1831.222656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.222656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.222656 (E_RNA)
where:
Base-Base interactions energy: -1292.641
where: short stacking energy: -550.544
Base-Backbone interact. energy: -2.985
local terms energy: -535.596791
where:
bonds (distance) C4'-P energy: -96.671
bonds (distance) P-C4' energy: -89.072
flat angles C4'-P-C4' energy: -117.505
flat angles P-C4'-P energy: -74.466
tors. eta vs tors. theta energy: -157.883
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: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1830.992747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.992747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.992747 (E_RNA)
where:
Base-Base interactions energy: -1302.644
where: short stacking energy: -543.028
Base-Backbone interact. energy: 0.089
local terms energy: -528.438036
where:
bonds (distance) C4'-P energy: -101.199
bonds (distance) P-C4' energy: -96.533
flat angles C4'-P-C4' energy: -106.340
flat angles P-C4'-P energy: -70.399
tors. eta vs tors. theta energy: -153.968
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: 1
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1699.971905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.971905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.971905 (E_RNA)
where:
Base-Base interactions energy: -1189.138
where: short stacking energy: -531.230
Base-Backbone interact. energy: -2.192
local terms energy: -508.642002
where:
bonds (distance) C4'-P energy: -91.863
bonds (distance) P-C4' energy: -92.460
flat angles C4'-P-C4' energy: -101.375
flat angles P-C4'-P energy: -69.284
tors. eta vs tors. theta energy: -153.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1708.912573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.912573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.912573 (E_RNA)
where:
Base-Base interactions energy: -1209.961
where: short stacking energy: -506.750
Base-Backbone interact. energy: -2.880
local terms energy: -496.071257
where:
bonds (distance) C4'-P energy: -83.116
bonds (distance) P-C4' energy: -85.475
flat angles C4'-P-C4' energy: -105.164
flat angles P-C4'-P energy: -78.349
tors. eta vs tors. theta energy: -143.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1621.997678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.997678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.997678 (E_RNA)
where:
Base-Base interactions energy: -1127.716
where: short stacking energy: -460.989
Base-Backbone interact. energy: -2.270
local terms energy: -492.011718
where:
bonds (distance) C4'-P energy: -83.003
bonds (distance) P-C4' energy: -94.558
flat angles C4'-P-C4' energy: -103.993
flat angles P-C4'-P energy: -77.419
tors. eta vs tors. theta energy: -133.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1489.566165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.566165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.566165 (E_RNA)
where:
Base-Base interactions energy: -1055.947
where: short stacking energy: -443.880
Base-Backbone interact. energy: 0.061
local terms energy: -433.680335
where:
bonds (distance) C4'-P energy: -76.452
bonds (distance) P-C4' energy: -77.105
flat angles C4'-P-C4' energy: -91.690
flat angles P-C4'-P energy: -67.628
tors. eta vs tors. theta energy: -120.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1443.066093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.066093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.066093 (E_RNA)
where:
Base-Base interactions energy: -1007.769
where: short stacking energy: -426.028
Base-Backbone interact. energy: -1.690
local terms energy: -433.607095
where:
bonds (distance) C4'-P energy: -89.707
bonds (distance) P-C4' energy: -77.830
flat angles C4'-P-C4' energy: -93.963
flat angles P-C4'-P energy: -49.148
tors. eta vs tors. theta energy: -122.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1280.787241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.787241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.787241 (E_RNA)
where:
Base-Base interactions energy: -882.743
where: short stacking energy: -345.409
Base-Backbone interact. energy: 1.626
local terms energy: -399.670161
where:
bonds (distance) C4'-P energy: -67.275
bonds (distance) P-C4' energy: -76.786
flat angles C4'-P-C4' energy: -98.316
flat angles P-C4'-P energy: -68.478
tors. eta vs tors. theta energy: -88.814
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: 429
Temperature: 1.300000
Total energy: -1042.671898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.671898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.671898 (E_RNA)
where:
Base-Base interactions energy: -664.893
where: short stacking energy: -307.953
Base-Backbone interact. energy: -0.351
local terms energy: -377.428043
where:
bonds (distance) C4'-P energy: -74.614
bonds (distance) P-C4' energy: -83.215
flat angles C4'-P-C4' energy: -90.837
flat angles P-C4'-P energy: -53.697
tors. eta vs tors. theta energy: -75.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -843.967108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.967108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.967108 (E_RNA)
where:
Base-Base interactions energy: -533.235
where: short stacking energy: -242.735
Base-Backbone interact. energy: 4.175
local terms energy: -314.907433
where:
bonds (distance) C4'-P energy: -70.420
bonds (distance) P-C4' energy: -81.768
flat angles C4'-P-C4' energy: -74.979
flat angles P-C4'-P energy: -57.134
tors. eta vs tors. theta energy: -30.606
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: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1857.898773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.898773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.898773 (E_RNA)
where:
Base-Base interactions energy: -1303.868
where: short stacking energy: -542.980
Base-Backbone interact. energy: -2.821
local terms energy: -551.209345
where:
bonds (distance) C4'-P energy: -102.640
bonds (distance) P-C4' energy: -105.753
flat angles C4'-P-C4' energy: -113.508
flat angles P-C4'-P energy: -77.045
tors. eta vs tors. theta energy: -152.263
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: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1794.000769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.000769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.000769 (E_RNA)
where:
Base-Base interactions energy: -1273.766
where: short stacking energy: -525.782
Base-Backbone interact. energy: -1.576
local terms energy: -518.658600
where:
bonds (distance) C4'-P energy: -92.801
bonds (distance) P-C4' energy: -86.671
flat angles C4'-P-C4' energy: -116.434
flat angles P-C4'-P energy: -75.763
tors. eta vs tors. theta energy: -146.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1785.484638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.484638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.484638 (E_RNA)
where:
Base-Base interactions energy: -1262.783
where: short stacking energy: -515.348
Base-Backbone interact. energy: 3.650
local terms energy: -526.351767
where:
bonds (distance) C4'-P energy: -92.531
bonds (distance) P-C4' energy: -103.190
flat angles C4'-P-C4' energy: -108.365
flat angles P-C4'-P energy: -80.484
tors. eta vs tors. theta energy: -141.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1657.724140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.724140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.724140 (E_RNA)
where:
Base-Base interactions energy: -1163.677
where: short stacking energy: -498.913
Base-Backbone interact. energy: -0.974
local terms energy: -493.073171
where:
bonds (distance) C4'-P energy: -98.848
bonds (distance) P-C4' energy: -84.136
flat angles C4'-P-C4' energy: -96.649
flat angles P-C4'-P energy: -75.133
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: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1658.639630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.639630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.639630 (E_RNA)
where:
Base-Base interactions energy: -1171.459
where: short stacking energy: -475.553
Base-Backbone interact. energy: 0.983
local terms energy: -488.164236
where:
bonds (distance) C4'-P energy: -88.046
bonds (distance) P-C4' energy: -94.137
flat angles C4'-P-C4' energy: -101.203
flat angles P-C4'-P energy: -69.878
tors. eta vs tors. theta energy: -134.900
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: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1554.556652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.556652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.556652 (E_RNA)
where:
Base-Base interactions energy: -1073.572
where: short stacking energy: -458.468
Base-Backbone interact. energy: -1.777
local terms energy: -479.207914
where:
bonds (distance) C4'-P energy: -87.348
bonds (distance) P-C4' energy: -99.947
flat angles C4'-P-C4' energy: -93.112
flat angles P-C4'-P energy: -69.912
tors. eta vs tors. theta energy: -128.889
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: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1391.156497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.156497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.156497 (E_RNA)
where:
Base-Base interactions energy: -964.793
where: short stacking energy: -404.340
Base-Backbone interact. energy: 1.575
local terms energy: -427.938840
where:
bonds (distance) C4'-P energy: -78.015
bonds (distance) P-C4' energy: -89.744
flat angles C4'-P-C4' energy: -89.100
flat angles P-C4'-P energy: -59.648
tors. eta vs tors. theta energy: -111.431
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: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1302.336037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.336037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.336037 (E_RNA)
where:
Base-Base interactions energy: -879.896
where: short stacking energy: -350.214
Base-Backbone interact. energy: -4.919
local terms energy: -417.520549
where:
bonds (distance) C4'-P energy: -80.527
bonds (distance) P-C4' energy: -83.593
flat angles C4'-P-C4' energy: -100.725
flat angles P-C4'-P energy: -66.287
tors. eta vs tors. theta energy: -86.388
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: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1072.882614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.882614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.882614 (E_RNA)
where:
Base-Base interactions energy: -717.465
where: short stacking energy: -313.101
Base-Backbone interact. energy: 1.153
local terms energy: -356.569928
where:
bonds (distance) C4'-P energy: -87.074
bonds (distance) P-C4' energy: -75.422
flat angles C4'-P-C4' energy: -83.360
flat angles P-C4'-P energy: -35.411
tors. eta vs tors. theta energy: -75.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -806.985843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.985843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.985843 (E_RNA)
where:
Base-Base interactions energy: -465.868
where: short stacking energy: -224.621
Base-Backbone interact. energy: -0.475
local terms energy: -340.642962
where:
bonds (distance) C4'-P energy: -82.164
bonds (distance) P-C4' energy: -87.497
flat angles C4'-P-C4' energy: -85.683
flat angles P-C4'-P energy: -50.962
tors. eta vs tors. theta energy: -34.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1837.257300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.257300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.257300 (E_RNA)
where:
Base-Base interactions energy: -1296.037
where: short stacking energy: -529.274
Base-Backbone interact. energy: 0.271
local terms energy: -541.491439
where:
bonds (distance) C4'-P energy: -97.579
bonds (distance) P-C4' energy: -101.813
flat angles C4'-P-C4' energy: -115.674
flat angles P-C4'-P energy: -78.569
tors. eta vs tors. theta energy: -147.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1811.846645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.846645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.846645 (E_RNA)
where:
Base-Base interactions energy: -1292.359
where: short stacking energy: -523.389
Base-Backbone interact. energy: -3.089
local terms energy: -516.398715
where:
bonds (distance) C4'-P energy: -91.230
bonds (distance) P-C4' energy: -82.511
flat angles C4'-P-C4' energy: -116.771
flat angles P-C4'-P energy: -71.371
tors. eta vs tors. theta energy: -154.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1759.410965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.410965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.410965 (E_RNA)
where:
Base-Base interactions energy: -1233.340
where: short stacking energy: -520.568
Base-Backbone interact. energy: -3.259
local terms energy: -522.812897
where:
bonds (distance) C4'-P energy: -93.273
bonds (distance) P-C4' energy: -106.287
flat angles C4'-P-C4' energy: -110.523
flat angles P-C4'-P energy: -65.588
tors. eta vs tors. theta energy: -147.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1681.217063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.217063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.217063 (E_RNA)
where:
Base-Base interactions energy: -1176.443
where: short stacking energy: -483.336
Base-Backbone interact. energy: -0.006
local terms energy: -504.768115
where:
bonds (distance) C4'-P energy: -91.868
bonds (distance) P-C4' energy: -93.292
flat angles C4'-P-C4' energy: -103.929
flat angles P-C4'-P energy: -72.556
tors. eta vs tors. theta energy: -143.124
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: 431
Temperature: 1.100000
Total energy: -1653.836139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.836139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.836139 (E_RNA)
where:
Base-Base interactions energy: -1162.925
where: short stacking energy: -474.493
Base-Backbone interact. energy: -1.580
local terms energy: -489.331632
where:
bonds (distance) C4'-P energy: -80.040
bonds (distance) P-C4' energy: -80.869
flat angles C4'-P-C4' energy: -108.571
flat angles P-C4'-P energy: -84.459
tors. eta vs tors. theta energy: -135.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1543.096208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.096208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.096208 (E_RNA)
where:
Base-Base interactions energy: -1072.970
where: short stacking energy: -455.595
Base-Backbone interact. energy: -2.280
local terms energy: -467.846842
where:
bonds (distance) C4'-P energy: -75.867
bonds (distance) P-C4' energy: -94.719
flat angles C4'-P-C4' energy: -101.545
flat angles P-C4'-P energy: -65.082
tors. eta vs tors. theta energy: -130.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1367.420297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.420297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.420297 (E_RNA)
where:
Base-Base interactions energy: -928.470
where: short stacking energy: -383.384
Base-Backbone interact. energy: -4.401
local terms energy: -434.548919
where:
bonds (distance) C4'-P energy: -79.857
bonds (distance) P-C4' energy: -90.226
flat angles C4'-P-C4' energy: -102.264
flat angles P-C4'-P energy: -61.897
tors. eta vs tors. theta energy: -100.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1315.644720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.644720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.644720 (E_RNA)
where:
Base-Base interactions energy: -906.430
where: short stacking energy: -383.170
Base-Backbone interact. energy: -2.862
local terms energy: -406.352488
where:
bonds (distance) C4'-P energy: -79.228
bonds (distance) P-C4' energy: -64.734
flat angles C4'-P-C4' energy: -94.061
flat angles P-C4'-P energy: -60.984
tors. eta vs tors. theta energy: -107.346
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: 431
Temperature: 1.300000
Total energy: -1031.606256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.606256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.606256 (E_RNA)
where:
Base-Base interactions energy: -683.958
where: short stacking energy: -293.757
Base-Backbone interact. energy: -0.844
local terms energy: -346.804708
where:
bonds (distance) C4'-P energy: -67.727
bonds (distance) P-C4' energy: -86.644
flat angles C4'-P-C4' energy: -73.612
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -78.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -806.366205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.366205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.366205 (E_RNA)
where:
Base-Base interactions energy: -488.574
where: short stacking energy: -241.803
Base-Backbone interact. energy: 3.202
local terms energy: -320.993854
where:
bonds (distance) C4'-P energy: -74.957
bonds (distance) P-C4' energy: -96.875
flat angles C4'-P-C4' energy: -75.133
flat angles P-C4'-P energy: -33.281
tors. eta vs tors. theta energy: -40.748
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: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1825.779302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.779302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.779302 (E_RNA)
where:
Base-Base interactions energy: -1302.692
where: short stacking energy: -544.211
Base-Backbone interact. energy: -2.999
local terms energy: -520.087613
where:
bonds (distance) C4'-P energy: -83.654
bonds (distance) P-C4' energy: -87.190
flat angles C4'-P-C4' energy: -111.992
flat angles P-C4'-P energy: -85.019
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: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1780.764412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.764412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.764412 (E_RNA)
where:
Base-Base interactions energy: -1273.229
where: short stacking energy: -534.623
Base-Backbone interact. energy: -1.855
local terms energy: -505.679718
where:
bonds (distance) C4'-P energy: -90.808
bonds (distance) P-C4' energy: -84.444
flat angles C4'-P-C4' energy: -107.337
flat angles P-C4'-P energy: -74.905
tors. eta vs tors. theta energy: -148.186
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: 3, replica: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1755.395938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.395938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.395938 (E_RNA)
where:
Base-Base interactions energy: -1223.576
where: short stacking energy: -498.988
Base-Backbone interact. energy: -4.412
local terms energy: -527.407431
where:
bonds (distance) C4'-P energy: -94.726
bonds (distance) P-C4' energy: -96.781
flat angles C4'-P-C4' energy: -116.761
flat angles P-C4'-P energy: -77.685
tors. eta vs tors. theta energy: -141.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1711.927469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.927469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.927469 (E_RNA)
where:
Base-Base interactions energy: -1209.040
where: short stacking energy: -525.559
Base-Backbone interact. energy: 0.099
local terms energy: -502.986171
where:
bonds (distance) C4'-P energy: -90.353
bonds (distance) P-C4' energy: -91.822
flat angles C4'-P-C4' energy: -96.765
flat angles P-C4'-P energy: -73.152
tors. eta vs tors. theta energy: -150.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1640.018940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.018940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.018940 (E_RNA)
where:
Base-Base interactions energy: -1155.567
where: short stacking energy: -492.485
Base-Backbone interact. energy: -2.446
local terms energy: -482.006202
where:
bonds (distance) C4'-P energy: -79.202
bonds (distance) P-C4' energy: -97.587
flat angles C4'-P-C4' energy: -112.117
flat angles P-C4'-P energy: -54.844
tors. eta vs tors. theta energy: -138.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1541.970404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.970404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.970404 (E_RNA)
where:
Base-Base interactions energy: -1063.671
where: short stacking energy: -433.063
Base-Backbone interact. energy: -0.979
local terms energy: -477.320220
where:
bonds (distance) C4'-P energy: -89.069
bonds (distance) P-C4' energy: -102.015
flat angles C4'-P-C4' energy: -102.634
flat angles P-C4'-P energy: -62.507
tors. eta vs tors. theta energy: -121.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1324.303665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.303665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.303665 (E_RNA)
where:
Base-Base interactions energy: -934.811
where: short stacking energy: -384.466
Base-Backbone interact. energy: -1.976
local terms energy: -387.516783
where:
bonds (distance) C4'-P energy: -66.230
bonds (distance) P-C4' energy: -71.777
flat angles C4'-P-C4' energy: -85.036
flat angles P-C4'-P energy: -63.864
tors. eta vs tors. theta energy: -100.610
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: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1352.386823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.386823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.386823 (E_RNA)
where:
Base-Base interactions energy: -928.503
where: short stacking energy: -397.770
Base-Backbone interact. energy: -0.292
local terms energy: -423.591916
where:
bonds (distance) C4'-P energy: -93.885
bonds (distance) P-C4' energy: -70.666
flat angles C4'-P-C4' energy: -103.242
flat angles P-C4'-P energy: -48.412
tors. eta vs tors. theta energy: -107.387
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: 432
Temperature: 1.300000
Total energy: -916.824712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.824712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.824712 (E_RNA)
where:
Base-Base interactions energy: -568.746
where: short stacking energy: -270.266
Base-Backbone interact. energy: 0.564
local terms energy: -348.642567
where:
bonds (distance) C4'-P energy: -87.102
bonds (distance) P-C4' energy: -82.072
flat angles C4'-P-C4' energy: -69.791
flat angles P-C4'-P energy: -58.861
tors. eta vs tors. theta energy: -50.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -757.228022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.228022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.228022 (E_RNA)
where:
Base-Base interactions energy: -483.857
where: short stacking energy: -234.091
Base-Backbone interact. energy: 3.922
local terms energy: -277.293066
where:
bonds (distance) C4'-P energy: -75.109
bonds (distance) P-C4' energy: -81.673
flat angles C4'-P-C4' energy: -55.444
flat angles P-C4'-P energy: -33.650
tors. eta vs tors. theta energy: -31.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1841.021658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.021658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.021658 (E_RNA)
where:
Base-Base interactions energy: -1303.853
where: short stacking energy: -554.260
Base-Backbone interact. energy: -2.777
local terms energy: -534.391759
where:
bonds (distance) C4'-P energy: -89.270
bonds (distance) P-C4' energy: -93.281
flat angles C4'-P-C4' energy: -110.821
flat angles P-C4'-P energy: -85.181
tors. eta vs tors. theta energy: -155.839
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: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1775.776216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.776216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.776216 (E_RNA)
where:
Base-Base interactions energy: -1256.082
where: short stacking energy: -544.720
Base-Backbone interact. energy: 1.285
local terms energy: -520.979282
where:
bonds (distance) C4'-P energy: -84.971
bonds (distance) P-C4' energy: -96.805
flat angles C4'-P-C4' energy: -116.704
flat angles P-C4'-P energy: -67.973
tors. eta vs tors. theta energy: -154.527
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: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1759.292626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.292626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.292626 (E_RNA)
where:
Base-Base interactions energy: -1228.575
where: short stacking energy: -500.378
Base-Backbone interact. energy: -2.544
local terms energy: -528.173193
where:
bonds (distance) C4'-P energy: -97.031
bonds (distance) P-C4' energy: -94.574
flat angles C4'-P-C4' energy: -114.348
flat angles P-C4'-P energy: -77.220
tors. eta vs tors. theta energy: -145.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1660.980311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.980311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.980311 (E_RNA)
where:
Base-Base interactions energy: -1163.191
where: short stacking energy: -496.887
Base-Backbone interact. energy: 0.128
local terms energy: -497.918138
where:
bonds (distance) C4'-P energy: -83.084
bonds (distance) P-C4' energy: -96.390
flat angles C4'-P-C4' energy: -109.091
flat angles P-C4'-P energy: -69.714
tors. eta vs tors. theta energy: -139.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1619.968210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.968210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.968210 (E_RNA)
where:
Base-Base interactions energy: -1139.791
where: short stacking energy: -458.824
Base-Backbone interact. energy: 0.496
local terms energy: -480.673557
where:
bonds (distance) C4'-P energy: -91.655
bonds (distance) P-C4' energy: -82.978
flat angles C4'-P-C4' energy: -101.623
flat angles P-C4'-P energy: -72.220
tors. eta vs tors. theta energy: -132.197
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: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1529.272049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.272049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.272049 (E_RNA)
where:
Base-Base interactions energy: -1081.082
where: short stacking energy: -441.456
Base-Backbone interact. energy: 2.058
local terms energy: -450.248150
where:
bonds (distance) C4'-P energy: -74.807
bonds (distance) P-C4' energy: -92.831
flat angles C4'-P-C4' energy: -86.319
flat angles P-C4'-P energy: -73.906
tors. eta vs tors. theta energy: -122.386
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: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1329.240159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.240159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.240159 (E_RNA)
where:
Base-Base interactions energy: -909.632
where: short stacking energy: -380.916
Base-Backbone interact. energy: -0.303
local terms energy: -419.305347
where:
bonds (distance) C4'-P energy: -81.725
bonds (distance) P-C4' energy: -86.370
flat angles C4'-P-C4' energy: -93.403
flat angles P-C4'-P energy: -55.782
tors. eta vs tors. theta energy: -102.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1316.623186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.623186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.623186 (E_RNA)
where:
Base-Base interactions energy: -900.107
where: short stacking energy: -380.579
Base-Backbone interact. energy: -3.261
local terms energy: -413.254862
where:
bonds (distance) C4'-P energy: -64.523
bonds (distance) P-C4' energy: -96.952
flat angles C4'-P-C4' energy: -88.761
flat angles P-C4'-P energy: -54.055
tors. eta vs tors. theta energy: -108.964
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: 433
Temperature: 1.300000
Total energy: -957.629360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.629360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.629360 (E_RNA)
where:
Base-Base interactions energy: -616.940
where: short stacking energy: -246.686
Base-Backbone interact. energy: 1.563
local terms energy: -342.253197
where:
bonds (distance) C4'-P energy: -68.131
bonds (distance) P-C4' energy: -87.940
flat angles C4'-P-C4' energy: -87.994
flat angles P-C4'-P energy: -47.485
tors. eta vs tors. theta energy: -50.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -775.635336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.635336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.635336 (E_RNA)
where:
Base-Base interactions energy: -478.553
where: short stacking energy: -208.586
Base-Backbone interact. energy: -0.088
local terms energy: -296.995177
where:
bonds (distance) C4'-P energy: -62.029
bonds (distance) P-C4' energy: -87.939
flat angles C4'-P-C4' energy: -75.595
flat angles P-C4'-P energy: -48.402
tors. eta vs tors. theta energy: -23.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1823.635020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.635020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.635020 (E_RNA)
where:
Base-Base interactions energy: -1295.253
where: short stacking energy: -531.908
Base-Backbone interact. energy: -2.547
local terms energy: -525.835959
where:
bonds (distance) C4'-P energy: -94.376
bonds (distance) P-C4' energy: -94.788
flat angles C4'-P-C4' energy: -114.704
flat angles P-C4'-P energy: -68.635
tors. eta vs tors. theta energy: -153.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1787.030395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.030395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.030395 (E_RNA)
where:
Base-Base interactions energy: -1247.913
where: short stacking energy: -520.901
Base-Backbone interact. energy: -1.625
local terms energy: -537.492293
where:
bonds (distance) C4'-P energy: -96.221
bonds (distance) P-C4' energy: -97.542
flat angles C4'-P-C4' energy: -111.066
flat angles P-C4'-P energy: -85.594
tors. eta vs tors. theta energy: -147.069
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: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1760.175730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.175730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.175730 (E_RNA)
where:
Base-Base interactions energy: -1238.673
where: short stacking energy: -523.877
Base-Backbone interact. energy: -1.239
local terms energy: -520.263683
where:
bonds (distance) C4'-P energy: -92.332
bonds (distance) P-C4' energy: -96.766
flat angles C4'-P-C4' energy: -107.226
flat angles P-C4'-P energy: -70.609
tors. eta vs tors. theta energy: -153.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1687.473324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.473324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.473324 (E_RNA)
where:
Base-Base interactions energy: -1183.278
where: short stacking energy: -519.188
Base-Backbone interact. energy: -1.611
local terms energy: -502.584313
where:
bonds (distance) C4'-P energy: -87.199
bonds (distance) P-C4' energy: -89.832
flat angles C4'-P-C4' energy: -106.086
flat angles P-C4'-P energy: -73.939
tors. eta vs tors. theta energy: -145.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1629.528669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.528669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.528669 (E_RNA)
where:
Base-Base interactions energy: -1144.318
where: short stacking energy: -471.032
Base-Backbone interact. energy: 0.146
local terms energy: -485.356395
where:
bonds (distance) C4'-P energy: -89.791
bonds (distance) P-C4' energy: -91.104
flat angles C4'-P-C4' energy: -111.470
flat angles P-C4'-P energy: -66.330
tors. eta vs tors. theta energy: -126.661
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: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1575.528522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.528522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.528522 (E_RNA)
where:
Base-Base interactions energy: -1100.505
where: short stacking energy: -467.583
Base-Backbone interact. energy: -0.979
local terms energy: -474.044332
where:
bonds (distance) C4'-P energy: -87.677
bonds (distance) P-C4' energy: -88.757
flat angles C4'-P-C4' energy: -106.832
flat angles P-C4'-P energy: -64.254
tors. eta vs tors. theta energy: -126.525
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: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1348.317666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.317666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.317666 (E_RNA)
where:
Base-Base interactions energy: -922.476
where: short stacking energy: -397.175
Base-Backbone interact. energy: -3.197
local terms energy: -422.644478
where:
bonds (distance) C4'-P energy: -69.790
bonds (distance) P-C4' energy: -88.442
flat angles C4'-P-C4' energy: -86.020
flat angles P-C4'-P energy: -70.223
tors. eta vs tors. theta energy: -108.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1261.515349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.515349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.515349 (E_RNA)
where:
Base-Base interactions energy: -872.781
where: short stacking energy: -360.877
Base-Backbone interact. energy: -1.821
local terms energy: -386.913345
where:
bonds (distance) C4'-P energy: -81.663
bonds (distance) P-C4' energy: -68.746
flat angles C4'-P-C4' energy: -79.934
flat angles P-C4'-P energy: -66.077
tors. eta vs tors. theta energy: -90.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -980.399751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.399751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.399751 (E_RNA)
where:
Base-Base interactions energy: -613.509
where: short stacking energy: -278.611
Base-Backbone interact. energy: 2.434
local terms energy: -369.325558
where:
bonds (distance) C4'-P energy: -76.573
bonds (distance) P-C4' energy: -82.587
flat angles C4'-P-C4' energy: -97.920
flat angles P-C4'-P energy: -50.547
tors. eta vs tors. theta energy: -61.699
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: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -788.554260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.554260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.554260 (E_RNA)
where:
Base-Base interactions energy: -460.796
where: short stacking energy: -201.731
Base-Backbone interact. energy: 0.022
local terms energy: -327.780306
where:
bonds (distance) C4'-P energy: -67.645
bonds (distance) P-C4' energy: -87.950
flat angles C4'-P-C4' energy: -97.909
flat angles P-C4'-P energy: -54.130
tors. eta vs tors. theta energy: -20.146
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: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1853.006478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.006478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.006478 (E_RNA)
where:
Base-Base interactions energy: -1301.436
where: short stacking energy: -537.500
Base-Backbone interact. energy: -0.850
local terms energy: -550.719720
where:
bonds (distance) C4'-P energy: -103.177
bonds (distance) P-C4' energy: -100.430
flat angles C4'-P-C4' energy: -117.885
flat angles P-C4'-P energy: -77.676
tors. eta vs tors. theta energy: -151.551
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: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1783.747182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.747182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.747182 (E_RNA)
where:
Base-Base interactions energy: -1266.813
where: short stacking energy: -513.914
Base-Backbone interact. energy: -1.699
local terms energy: -515.235416
where:
bonds (distance) C4'-P energy: -87.616
bonds (distance) P-C4' energy: -89.612
flat angles C4'-P-C4' energy: -110.124
flat angles P-C4'-P energy: -80.629
tors. eta vs tors. theta energy: -147.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1742.466884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.466884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.466884 (E_RNA)
where:
Base-Base interactions energy: -1221.779
where: short stacking energy: -500.238
Base-Backbone interact. energy: -1.759
local terms energy: -518.929000
where:
bonds (distance) C4'-P energy: -94.715
bonds (distance) P-C4' energy: -91.496
flat angles C4'-P-C4' energy: -114.689
flat angles P-C4'-P energy: -71.127
tors. eta vs tors. theta energy: -146.903
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: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1670.250459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.250459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.250459 (E_RNA)
where:
Base-Base interactions energy: -1176.196
where: short stacking energy: -471.313
Base-Backbone interact. energy: -2.241
local terms energy: -491.813513
where:
bonds (distance) C4'-P energy: -68.139
bonds (distance) P-C4' energy: -92.337
flat angles C4'-P-C4' energy: -117.401
flat angles P-C4'-P energy: -81.403
tors. eta vs tors. theta energy: -132.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1629.482805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.482805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.482805 (E_RNA)
where:
Base-Base interactions energy: -1122.640
where: short stacking energy: -472.254
Base-Backbone interact. energy: -1.421
local terms energy: -505.422034
where:
bonds (distance) C4'-P energy: -88.870
bonds (distance) P-C4' energy: -92.349
flat angles C4'-P-C4' energy: -102.546
flat angles P-C4'-P energy: -74.905
tors. eta vs tors. theta energy: -146.752
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: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1563.719297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.719297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.719297 (E_RNA)
where:
Base-Base interactions energy: -1088.913
where: short stacking energy: -460.902
Base-Backbone interact. energy: 0.079
local terms energy: -474.884958
where:
bonds (distance) C4'-P energy: -87.619
bonds (distance) P-C4' energy: -83.518
flat angles C4'-P-C4' energy: -107.738
flat angles P-C4'-P energy: -70.711
tors. eta vs tors. theta energy: -125.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1333.385570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.385570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.385570 (E_RNA)
where:
Base-Base interactions energy: -928.102
where: short stacking energy: -377.694
Base-Backbone interact. energy: -2.146
local terms energy: -403.137959
where:
bonds (distance) C4'-P energy: -70.758
bonds (distance) P-C4' energy: -86.891
flat angles C4'-P-C4' energy: -89.005
flat angles P-C4'-P energy: -52.338
tors. eta vs tors. theta energy: -104.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1297.201249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.201249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.201249 (E_RNA)
where:
Base-Base interactions energy: -876.310
where: short stacking energy: -345.256
Base-Backbone interact. energy: 0.331
local terms energy: -421.222282
where:
bonds (distance) C4'-P energy: -76.268
bonds (distance) P-C4' energy: -91.471
flat angles C4'-P-C4' energy: -96.505
flat angles P-C4'-P energy: -68.631
tors. eta vs tors. theta energy: -88.348
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: 435
Temperature: 1.300000
Total energy: -1003.088604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.088604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.088604 (E_RNA)
where:
Base-Base interactions energy: -659.648
where: short stacking energy: -311.325
Base-Backbone interact. energy: -2.162
local terms energy: -341.278207
where:
bonds (distance) C4'-P energy: -84.686
bonds (distance) P-C4' energy: -74.351
flat angles C4'-P-C4' energy: -74.824
flat angles P-C4'-P energy: -42.222
tors. eta vs tors. theta energy: -65.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -809.627148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.627148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.627148 (E_RNA)
where:
Base-Base interactions energy: -501.964
where: short stacking energy: -233.307
Base-Backbone interact. energy: 0.087
local terms energy: -307.749892
where:
bonds (distance) C4'-P energy: -88.253
bonds (distance) P-C4' energy: -79.335
flat angles C4'-P-C4' energy: -76.085
flat angles P-C4'-P energy: -34.187
tors. eta vs tors. theta energy: -29.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1826.407793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.407793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.407793 (E_RNA)
where:
Base-Base interactions energy: -1285.358
where: short stacking energy: -532.290
Base-Backbone interact. energy: -1.460
local terms energy: -539.589685
where:
bonds (distance) C4'-P energy: -90.476
bonds (distance) P-C4' energy: -105.015
flat angles C4'-P-C4' energy: -112.421
flat angles P-C4'-P energy: -82.582
tors. eta vs tors. theta energy: -149.096
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: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1808.201952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.201952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.201952 (E_RNA)
where:
Base-Base interactions energy: -1272.093
where: short stacking energy: -518.321
Base-Backbone interact. energy: -3.060
local terms energy: -533.048879
where:
bonds (distance) C4'-P energy: -90.806
bonds (distance) P-C4' energy: -94.389
flat angles C4'-P-C4' energy: -117.428
flat angles P-C4'-P energy: -79.173
tors. eta vs tors. theta energy: -151.253
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: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1724.430307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.430307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.430307 (E_RNA)
where:
Base-Base interactions energy: -1205.788
where: short stacking energy: -490.622
Base-Backbone interact. energy: -0.546
local terms energy: -518.096941
where:
bonds (distance) C4'-P energy: -92.021
bonds (distance) P-C4' energy: -95.348
flat angles C4'-P-C4' energy: -110.009
flat angles P-C4'-P energy: -72.423
tors. eta vs tors. theta energy: -148.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1653.257952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.257952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.257952 (E_RNA)
where:
Base-Base interactions energy: -1166.801
where: short stacking energy: -474.356
Base-Backbone interact. energy: 2.061
local terms energy: -488.517459
where:
bonds (distance) C4'-P energy: -83.403
bonds (distance) P-C4' energy: -107.010
flat angles C4'-P-C4' energy: -94.515
flat angles P-C4'-P energy: -62.100
tors. eta vs tors. theta energy: -141.489
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: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1608.545973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.545973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.545973 (E_RNA)
where:
Base-Base interactions energy: -1150.475
where: short stacking energy: -483.781
Base-Backbone interact. energy: 2.032
local terms energy: -460.102973
where:
bonds (distance) C4'-P energy: -66.300
bonds (distance) P-C4' energy: -85.524
flat angles C4'-P-C4' energy: -104.957
flat angles P-C4'-P energy: -61.824
tors. eta vs tors. theta energy: -141.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1554.964068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.964068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.964068 (E_RNA)
where:
Base-Base interactions energy: -1104.523
where: short stacking energy: -455.644
Base-Backbone interact. energy: -1.689
local terms energy: -448.752465
where:
bonds (distance) C4'-P energy: -85.120
bonds (distance) P-C4' energy: -85.683
flat angles C4'-P-C4' energy: -81.615
flat angles P-C4'-P energy: -67.005
tors. eta vs tors. theta energy: -129.330
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: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1374.512232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.512232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.512232 (E_RNA)
where:
Base-Base interactions energy: -980.251
where: short stacking energy: -408.144
Base-Backbone interact. energy: 2.753
local terms energy: -397.013985
where:
bonds (distance) C4'-P energy: -66.760
bonds (distance) P-C4' energy: -80.313
flat angles C4'-P-C4' energy: -86.844
flat angles P-C4'-P energy: -62.361
tors. eta vs tors. theta energy: -100.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1300.746419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.746419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.746419 (E_RNA)
where:
Base-Base interactions energy: -892.604
where: short stacking energy: -361.258
Base-Backbone interact. energy: 0.343
local terms energy: -408.484665
where:
bonds (distance) C4'-P energy: -64.258
bonds (distance) P-C4' energy: -87.761
flat angles C4'-P-C4' energy: -94.983
flat angles P-C4'-P energy: -63.637
tors. eta vs tors. theta energy: -97.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -956.662976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.662976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.662976 (E_RNA)
where:
Base-Base interactions energy: -606.732
where: short stacking energy: -283.625
Base-Backbone interact. energy: 0.166
local terms energy: -350.096854
where:
bonds (distance) C4'-P energy: -58.036
bonds (distance) P-C4' energy: -95.026
flat angles C4'-P-C4' energy: -76.358
flat angles P-C4'-P energy: -62.364
tors. eta vs tors. theta energy: -58.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -771.469550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.469550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.469550 (E_RNA)
where:
Base-Base interactions energy: -479.793
where: short stacking energy: -225.821
Base-Backbone interact. energy: 1.094
local terms energy: -292.770572
where:
bonds (distance) C4'-P energy: -74.550
bonds (distance) P-C4' energy: -81.233
flat angles C4'-P-C4' energy: -83.483
flat angles P-C4'-P energy: -31.936
tors. eta vs tors. theta energy: -21.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1847.006976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.006976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.006976 (E_RNA)
where:
Base-Base interactions energy: -1321.551
where: short stacking energy: -551.729
Base-Backbone interact. energy: -1.436
local terms energy: -524.020623
where:
bonds (distance) C4'-P energy: -80.428
bonds (distance) P-C4' energy: -98.623
flat angles C4'-P-C4' energy: -114.800
flat angles P-C4'-P energy: -79.441
tors. eta vs tors. theta energy: -150.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1798.280754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.280754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.280754 (E_RNA)
where:
Base-Base interactions energy: -1258.986
where: short stacking energy: -533.644
Base-Backbone interact. energy: -2.149
local terms energy: -537.145690
where:
bonds (distance) C4'-P energy: -87.891
bonds (distance) P-C4' energy: -101.686
flat angles C4'-P-C4' energy: -120.157
flat angles P-C4'-P energy: -74.475
tors. eta vs tors. theta energy: -152.937
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: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1748.665706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.665706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.665706 (E_RNA)
where:
Base-Base interactions energy: -1251.446
where: short stacking energy: -521.704
Base-Backbone interact. energy: -1.841
local terms energy: -495.378953
where:
bonds (distance) C4'-P energy: -90.022
bonds (distance) P-C4' energy: -86.493
flat angles C4'-P-C4' energy: -100.562
flat angles P-C4'-P energy: -66.749
tors. eta vs tors. theta energy: -151.553
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: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1713.964363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.964363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.964363 (E_RNA)
where:
Base-Base interactions energy: -1221.678
where: short stacking energy: -514.417
Base-Backbone interact. energy: 0.911
local terms energy: -493.196503
where:
bonds (distance) C4'-P energy: -83.572
bonds (distance) P-C4' energy: -90.758
flat angles C4'-P-C4' energy: -103.560
flat angles P-C4'-P energy: -70.852
tors. eta vs tors. theta energy: -144.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1638.917316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.917316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.917316 (E_RNA)
where:
Base-Base interactions energy: -1168.503
where: short stacking energy: -491.820
Base-Backbone interact. energy: -0.839
local terms energy: -469.574920
where:
bonds (distance) C4'-P energy: -85.354
bonds (distance) P-C4' energy: -78.309
flat angles C4'-P-C4' energy: -99.015
flat angles P-C4'-P energy: -68.767
tors. eta vs tors. theta energy: -138.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1506.060302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.060302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.060302 (E_RNA)
where:
Base-Base interactions energy: -1061.693
where: short stacking energy: -433.603
Base-Backbone interact. energy: 0.023
local terms energy: -444.390085
where:
bonds (distance) C4'-P energy: -76.109
bonds (distance) P-C4' energy: -65.830
flat angles C4'-P-C4' energy: -109.516
flat angles P-C4'-P energy: -73.225
tors. eta vs tors. theta energy: -119.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1379.921766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.921766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.921766 (E_RNA)
where:
Base-Base interactions energy: -959.031
where: short stacking energy: -398.160
Base-Backbone interact. energy: -0.905
local terms energy: -419.985683
where:
bonds (distance) C4'-P energy: -84.731
bonds (distance) P-C4' energy: -77.020
flat angles C4'-P-C4' energy: -103.977
flat angles P-C4'-P energy: -58.134
tors. eta vs tors. theta energy: -96.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1288.219151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.219151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.219151 (E_RNA)
where:
Base-Base interactions energy: -881.077
where: short stacking energy: -364.662
Base-Backbone interact. energy: 0.170
local terms energy: -407.312723
where:
bonds (distance) C4'-P energy: -95.637
bonds (distance) P-C4' energy: -67.020
flat angles C4'-P-C4' energy: -100.040
flat angles P-C4'-P energy: -58.601
tors. eta vs tors. theta energy: -86.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -974.480256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.480256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.480256 (E_RNA)
where:
Base-Base interactions energy: -640.870
where: short stacking energy: -272.234
Base-Backbone interact. energy: -0.004
local terms energy: -333.606153
where:
bonds (distance) C4'-P energy: -79.309
bonds (distance) P-C4' energy: -83.188
flat angles C4'-P-C4' energy: -78.160
flat angles P-C4'-P energy: -52.126
tors. eta vs tors. theta energy: -40.823
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: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -776.270127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.270127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.270127 (E_RNA)
where:
Base-Base interactions energy: -472.215
where: short stacking energy: -207.789
Base-Backbone interact. energy: -1.736
local terms energy: -302.318755
where:
bonds (distance) C4'-P energy: -87.043
bonds (distance) P-C4' energy: -61.519
flat angles C4'-P-C4' energy: -68.188
flat angles P-C4'-P energy: -58.937
tors. eta vs tors. theta energy: -26.631
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: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1849.427741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.427741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.427741 (E_RNA)
where:
Base-Base interactions energy: -1302.843
where: short stacking energy: -544.589
Base-Backbone interact. energy: -1.430
local terms energy: -545.154296
where:
bonds (distance) C4'-P energy: -95.171
bonds (distance) P-C4' energy: -101.398
flat angles C4'-P-C4' energy: -116.551
flat angles P-C4'-P energy: -79.814
tors. eta vs tors. theta energy: -152.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1753.672382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.672382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.672382 (E_RNA)
where:
Base-Base interactions energy: -1247.512
where: short stacking energy: -504.667
Base-Backbone interact. energy: 1.160
local terms energy: -507.320177
where:
bonds (distance) C4'-P energy: -88.222
bonds (distance) P-C4' energy: -91.793
flat angles C4'-P-C4' energy: -107.609
flat angles P-C4'-P energy: -74.059
tors. eta vs tors. theta energy: -145.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1743.820946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.820946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.820946 (E_RNA)
where:
Base-Base interactions energy: -1217.972
where: short stacking energy: -537.194
Base-Backbone interact. energy: -1.419
local terms energy: -524.430824
where:
bonds (distance) C4'-P energy: -85.518
bonds (distance) P-C4' energy: -94.866
flat angles C4'-P-C4' energy: -96.640
flat angles P-C4'-P energy: -89.884
tors. eta vs tors. theta energy: -157.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1694.708729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.708729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.708729 (E_RNA)
where:
Base-Base interactions energy: -1187.499
where: short stacking energy: -485.259
Base-Backbone interact. energy: -1.122
local terms energy: -506.087654
where:
bonds (distance) C4'-P energy: -93.106
bonds (distance) P-C4' energy: -91.083
flat angles C4'-P-C4' energy: -106.081
flat angles P-C4'-P energy: -70.804
tors. eta vs tors. theta energy: -145.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1667.086245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.086245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.086245 (E_RNA)
where:
Base-Base interactions energy: -1188.046
where: short stacking energy: -493.871
Base-Backbone interact. energy: -0.946
local terms energy: -478.093969
where:
bonds (distance) C4'-P energy: -73.885
bonds (distance) P-C4' energy: -93.154
flat angles C4'-P-C4' energy: -105.508
flat angles P-C4'-P energy: -59.304
tors. eta vs tors. theta energy: -146.243
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: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1503.072503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.072503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.072503 (E_RNA)
where:
Base-Base interactions energy: -1035.023
where: short stacking energy: -431.041
Base-Backbone interact. energy: -0.649
local terms energy: -467.400878
where:
bonds (distance) C4'-P energy: -82.910
bonds (distance) P-C4' energy: -84.215
flat angles C4'-P-C4' energy: -90.501
flat angles P-C4'-P energy: -70.682
tors. eta vs tors. theta energy: -139.093
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: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1397.183254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.183254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.183254 (E_RNA)
where:
Base-Base interactions energy: -966.523
where: short stacking energy: -391.518
Base-Backbone interact. energy: 1.678
local terms energy: -432.338855
where:
bonds (distance) C4'-P energy: -73.038
bonds (distance) P-C4' energy: -83.621
flat angles C4'-P-C4' energy: -102.385
flat angles P-C4'-P energy: -73.378
tors. eta vs tors. theta energy: -99.916
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: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1302.659438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.659438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.659438 (E_RNA)
where:
Base-Base interactions energy: -898.376
where: short stacking energy: -366.765
Base-Backbone interact. energy: -1.010
local terms energy: -403.272976
where:
bonds (distance) C4'-P energy: -81.308
bonds (distance) P-C4' energy: -76.062
flat angles C4'-P-C4' energy: -95.208
flat angles P-C4'-P energy: -47.562
tors. eta vs tors. theta energy: -103.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -984.542140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.542140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.542140 (E_RNA)
where:
Base-Base interactions energy: -630.247
where: short stacking energy: -267.516
Base-Backbone interact. energy: -0.853
local terms energy: -353.442196
where:
bonds (distance) C4'-P energy: -79.535
bonds (distance) P-C4' energy: -77.686
flat angles C4'-P-C4' energy: -84.354
flat angles P-C4'-P energy: -60.890
tors. eta vs tors. theta energy: -50.977
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: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -766.337658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.337658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.337658 (E_RNA)
where:
Base-Base interactions energy: -461.029
where: short stacking energy: -222.233
Base-Backbone interact. energy: 1.829
local terms energy: -307.137977
where:
bonds (distance) C4'-P energy: -70.406
bonds (distance) P-C4' energy: -84.710
flat angles C4'-P-C4' energy: -90.237
flat angles P-C4'-P energy: -39.124
tors. eta vs tors. theta energy: -22.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1870.660225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.660225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.660225 (E_RNA)
where:
Base-Base interactions energy: -1324.187
where: short stacking energy: -543.786
Base-Backbone interact. energy: -2.418
local terms energy: -544.054943
where:
bonds (distance) C4'-P energy: -92.456
bonds (distance) P-C4' energy: -96.976
flat angles C4'-P-C4' energy: -117.115
flat angles P-C4'-P energy: -84.311
tors. eta vs tors. theta energy: -153.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1776.506563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.506563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.506563 (E_RNA)
where:
Base-Base interactions energy: -1235.416
where: short stacking energy: -525.814
Base-Backbone interact. energy: -1.247
local terms energy: -539.844137
where:
bonds (distance) C4'-P energy: -91.938
bonds (distance) P-C4' energy: -102.753
flat angles C4'-P-C4' energy: -114.296
flat angles P-C4'-P energy: -76.346
tors. eta vs tors. theta energy: -154.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1740.816397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.816397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.816397 (E_RNA)
where:
Base-Base interactions energy: -1218.169
where: short stacking energy: -514.273
Base-Backbone interact. energy: -2.582
local terms energy: -520.064574
where:
bonds (distance) C4'-P energy: -86.709
bonds (distance) P-C4' energy: -90.180
flat angles C4'-P-C4' energy: -114.200
flat angles P-C4'-P energy: -74.787
tors. eta vs tors. theta energy: -154.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1702.008513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.008513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.008513 (E_RNA)
where:
Base-Base interactions energy: -1188.331
where: short stacking energy: -510.483
Base-Backbone interact. energy: -1.031
local terms energy: -512.646211
where:
bonds (distance) C4'-P energy: -78.035
bonds (distance) P-C4' energy: -101.320
flat angles C4'-P-C4' energy: -107.002
flat angles P-C4'-P energy: -76.746
tors. eta vs tors. theta energy: -149.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1668.435710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.435710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.435710 (E_RNA)
where:
Base-Base interactions energy: -1164.174
where: short stacking energy: -497.505
Base-Backbone interact. energy: -1.129
local terms energy: -503.132343
where:
bonds (distance) C4'-P energy: -87.666
bonds (distance) P-C4' energy: -81.957
flat angles C4'-P-C4' energy: -111.634
flat angles P-C4'-P energy: -76.607
tors. eta vs tors. theta energy: -145.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1506.909413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.909413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.909413 (E_RNA)
where:
Base-Base interactions energy: -1060.623
where: short stacking energy: -445.483
Base-Backbone interact. energy: -3.185
local terms energy: -443.100733
where:
bonds (distance) C4'-P energy: -85.234
bonds (distance) P-C4' energy: -78.770
flat angles C4'-P-C4' energy: -86.136
flat angles P-C4'-P energy: -72.190
tors. eta vs tors. theta energy: -120.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1417.091753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.091753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.091753 (E_RNA)
where:
Base-Base interactions energy: -998.617
where: short stacking energy: -437.466
Base-Backbone interact. energy: 2.718
local terms energy: -421.192677
where:
bonds (distance) C4'-P energy: -69.698
bonds (distance) P-C4' energy: -86.210
flat angles C4'-P-C4' energy: -94.246
flat angles P-C4'-P energy: -54.896
tors. eta vs tors. theta energy: -116.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1343.218258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.218258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.218258 (E_RNA)
where:
Base-Base interactions energy: -920.144
where: short stacking energy: -370.134
Base-Backbone interact. energy: -1.802
local terms energy: -421.272024
where:
bonds (distance) C4'-P energy: -82.976
bonds (distance) P-C4' energy: -83.646
flat angles C4'-P-C4' energy: -89.323
flat angles P-C4'-P energy: -62.472
tors. eta vs tors. theta energy: -102.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1045.656747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.656747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.656747 (E_RNA)
where:
Base-Base interactions energy: -685.593
where: short stacking energy: -302.470
Base-Backbone interact. energy: -0.675
local terms energy: -359.389098
where:
bonds (distance) C4'-P energy: -76.707
bonds (distance) P-C4' energy: -94.101
flat angles C4'-P-C4' energy: -75.407
flat angles P-C4'-P energy: -45.942
tors. eta vs tors. theta energy: -67.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -694.912072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.912072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.912072 (E_RNA)
where:
Base-Base interactions energy: -398.498
where: short stacking energy: -195.826
Base-Backbone interact. energy: -0.039
local terms energy: -296.374769
where:
bonds (distance) C4'-P energy: -66.176
bonds (distance) P-C4' energy: -78.913
flat angles C4'-P-C4' energy: -80.691
flat angles P-C4'-P energy: -50.012
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1859.151445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.151445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.151445 (E_RNA)
where:
Base-Base interactions energy: -1301.833
where: short stacking energy: -537.552
Base-Backbone interact. energy: -1.270
local terms energy: -556.048309
where:
bonds (distance) C4'-P energy: -100.780
bonds (distance) P-C4' energy: -101.268
flat angles C4'-P-C4' energy: -109.758
flat angles P-C4'-P energy: -88.961
tors. eta vs tors. theta energy: -155.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1793.365375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.365375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.365375 (E_RNA)
where:
Base-Base interactions energy: -1269.088
where: short stacking energy: -546.561
Base-Backbone interact. energy: -0.449
local terms energy: -523.828505
where:
bonds (distance) C4'-P energy: -85.311
bonds (distance) P-C4' energy: -88.006
flat angles C4'-P-C4' energy: -115.118
flat angles P-C4'-P energy: -81.811
tors. eta vs tors. theta energy: -153.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1766.416675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.416675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.416675 (E_RNA)
where:
Base-Base interactions energy: -1228.707
where: short stacking energy: -519.181
Base-Backbone interact. energy: 0.052
local terms energy: -537.761628
where:
bonds (distance) C4'-P energy: -94.753
bonds (distance) P-C4' energy: -97.170
flat angles C4'-P-C4' energy: -111.913
flat angles P-C4'-P energy: -79.623
tors. eta vs tors. theta energy: -154.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1641.578959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.578959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.578959 (E_RNA)
where:
Base-Base interactions energy: -1163.095
where: short stacking energy: -496.599
Base-Backbone interact. energy: 0.655
local terms energy: -479.138521
where:
bonds (distance) C4'-P energy: -81.076
bonds (distance) P-C4' energy: -88.308
flat angles C4'-P-C4' energy: -94.498
flat angles P-C4'-P energy: -75.529
tors. eta vs tors. theta energy: -139.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1649.338434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.338434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.338434 (E_RNA)
where:
Base-Base interactions energy: -1149.540
where: short stacking energy: -486.949
Base-Backbone interact. energy: -1.213
local terms energy: -498.585570
where:
bonds (distance) C4'-P energy: -90.405
bonds (distance) P-C4' energy: -86.183
flat angles C4'-P-C4' energy: -107.567
flat angles P-C4'-P energy: -78.995
tors. eta vs tors. theta energy: -135.435
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: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1501.018983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.018983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.018983 (E_RNA)
where:
Base-Base interactions energy: -1031.086
where: short stacking energy: -406.498
Base-Backbone interact. energy: 0.657
local terms energy: -470.590113
where:
bonds (distance) C4'-P energy: -97.193
bonds (distance) P-C4' energy: -86.290
flat angles C4'-P-C4' energy: -106.156
flat angles P-C4'-P energy: -62.638
tors. eta vs tors. theta energy: -118.312
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: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1414.770471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.770471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.770471 (E_RNA)
where:
Base-Base interactions energy: -981.877
where: short stacking energy: -415.574
Base-Backbone interact. energy: -2.716
local terms energy: -430.177360
where:
bonds (distance) C4'-P energy: -96.473
bonds (distance) P-C4' energy: -92.752
flat angles C4'-P-C4' energy: -82.917
flat angles P-C4'-P energy: -53.823
tors. eta vs tors. theta energy: -104.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1305.590992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.590992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.590992 (E_RNA)
where:
Base-Base interactions energy: -916.951
where: short stacking energy: -385.453
Base-Backbone interact. energy: 0.618
local terms energy: -389.257543
where:
bonds (distance) C4'-P energy: -66.024
bonds (distance) P-C4' energy: -86.669
flat angles C4'-P-C4' energy: -73.773
flat angles P-C4'-P energy: -50.566
tors. eta vs tors. theta energy: -112.226
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: 440
Temperature: 1.300000
Total energy: -987.996737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.996737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.996737 (E_RNA)
where:
Base-Base interactions energy: -657.145
where: short stacking energy: -301.852
Base-Backbone interact. energy: 1.977
local terms energy: -332.828833
where:
bonds (distance) C4'-P energy: -75.492
bonds (distance) P-C4' energy: -80.685
flat angles C4'-P-C4' energy: -75.347
flat angles P-C4'-P energy: -46.121
tors. eta vs tors. theta energy: -55.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -753.281272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.281272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.281272 (E_RNA)
where:
Base-Base interactions energy: -443.743
where: short stacking energy: -222.149
Base-Backbone interact. energy: 3.456
local terms energy: -312.993684
where:
bonds (distance) C4'-P energy: -81.186
bonds (distance) P-C4' energy: -83.563
flat angles C4'-P-C4' energy: -70.159
flat angles P-C4'-P energy: -45.621
tors. eta vs tors. theta energy: -32.465
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: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1858.167270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.167270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.167270 (E_RNA)
where:
Base-Base interactions energy: -1305.959
where: short stacking energy: -541.525
Base-Backbone interact. energy: -1.019
local terms energy: -551.188983
where:
bonds (distance) C4'-P energy: -106.096
bonds (distance) P-C4' energy: -101.409
flat angles C4'-P-C4' energy: -117.191
flat angles P-C4'-P energy: -68.658
tors. eta vs tors. theta energy: -157.835
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: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1786.063525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.063525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.063525 (E_RNA)
where:
Base-Base interactions energy: -1258.029
where: short stacking energy: -516.390
Base-Backbone interact. energy: -4.418
local terms energy: -523.616375
where:
bonds (distance) C4'-P energy: -93.266
bonds (distance) P-C4' energy: -90.736
flat angles C4'-P-C4' energy: -107.509
flat angles P-C4'-P energy: -71.687
tors. eta vs tors. theta energy: -160.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1743.611983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.611983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.611983 (E_RNA)
where:
Base-Base interactions energy: -1235.569
where: short stacking energy: -521.335
Base-Backbone interact. energy: 0.789
local terms energy: -508.832154
where:
bonds (distance) C4'-P energy: -88.323
bonds (distance) P-C4' energy: -89.951
flat angles C4'-P-C4' energy: -103.429
flat angles P-C4'-P energy: -74.530
tors. eta vs tors. theta energy: -152.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1652.783446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.783446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.783446 (E_RNA)
where:
Base-Base interactions energy: -1170.573
where: short stacking energy: -490.059
Base-Backbone interact. energy: -0.276
local terms energy: -481.934615
where:
bonds (distance) C4'-P energy: -85.819
bonds (distance) P-C4' energy: -86.528
flat angles C4'-P-C4' energy: -99.202
flat angles P-C4'-P energy: -68.747
tors. eta vs tors. theta energy: -141.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1623.253497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.253497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.253497 (E_RNA)
where:
Base-Base interactions energy: -1158.387
where: short stacking energy: -476.381
Base-Backbone interact. energy: -3.348
local terms energy: -461.518775
where:
bonds (distance) C4'-P energy: -63.888
bonds (distance) P-C4' energy: -86.073
flat angles C4'-P-C4' energy: -105.734
flat angles P-C4'-P energy: -64.530
tors. eta vs tors. theta energy: -141.294
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: 441
Temperature: 1.150000
Total energy: -1498.743177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.743177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.743177 (E_RNA)
where:
Base-Base interactions energy: -1058.607
where: short stacking energy: -429.976
Base-Backbone interact. energy: -0.274
local terms energy: -439.861875
where:
bonds (distance) C4'-P energy: -79.430
bonds (distance) P-C4' energy: -87.978
flat angles C4'-P-C4' energy: -87.823
flat angles P-C4'-P energy: -62.248
tors. eta vs tors. theta energy: -122.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1345.612484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.612484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.612484 (E_RNA)
where:
Base-Base interactions energy: -925.493
where: short stacking energy: -384.000
Base-Backbone interact. energy: 1.532
local terms energy: -421.651101
where:
bonds (distance) C4'-P energy: -87.583
bonds (distance) P-C4' energy: -94.461
flat angles C4'-P-C4' energy: -89.589
flat angles P-C4'-P energy: -52.337
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: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1219.157367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.157367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.157367 (E_RNA)
where:
Base-Base interactions energy: -832.435
where: short stacking energy: -353.314
Base-Backbone interact. energy: -1.785
local terms energy: -384.937847
where:
bonds (distance) C4'-P energy: -67.126
bonds (distance) P-C4' energy: -89.054
flat angles C4'-P-C4' energy: -86.272
flat angles P-C4'-P energy: -56.391
tors. eta vs tors. theta energy: -86.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -972.945094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.945094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.945094 (E_RNA)
where:
Base-Base interactions energy: -621.374
where: short stacking energy: -259.295
Base-Backbone interact. energy: -2.444
local terms energy: -349.127212
where:
bonds (distance) C4'-P energy: -81.468
bonds (distance) P-C4' energy: -86.893
flat angles C4'-P-C4' energy: -86.660
flat angles P-C4'-P energy: -49.434
tors. eta vs tors. theta energy: -44.672
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: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -710.775721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.775721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.775721 (E_RNA)
where:
Base-Base interactions energy: -390.199
where: short stacking energy: -192.669
Base-Backbone interact. energy: 1.010
local terms energy: -321.585970
where:
bonds (distance) C4'-P energy: -70.973
bonds (distance) P-C4' energy: -93.741
flat angles C4'-P-C4' energy: -85.074
flat angles P-C4'-P energy: -45.908
tors. eta vs tors. theta energy: -25.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1868.702503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.702503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.702503 (E_RNA)
where:
Base-Base interactions energy: -1334.721
where: short stacking energy: -539.982
Base-Backbone interact. energy: -2.280
local terms energy: -531.701206
where:
bonds (distance) C4'-P energy: -93.902
bonds (distance) P-C4' energy: -95.819
flat angles C4'-P-C4' energy: -119.804
flat angles P-C4'-P energy: -77.282
tors. eta vs tors. theta energy: -144.895
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: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1788.396248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.396248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.396248 (E_RNA)
where:
Base-Base interactions energy: -1297.699
where: short stacking energy: -541.157
Base-Backbone interact. energy: -2.665
local terms energy: -488.032059
where:
bonds (distance) C4'-P energy: -91.172
bonds (distance) P-C4' energy: -87.285
flat angles C4'-P-C4' energy: -102.199
flat angles P-C4'-P energy: -66.714
tors. eta vs tors. theta energy: -140.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1696.402536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.402536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.402536 (E_RNA)
where:
Base-Base interactions energy: -1181.058
where: short stacking energy: -526.147
Base-Backbone interact. energy: -2.909
local terms energy: -512.435600
where:
bonds (distance) C4'-P energy: -89.694
bonds (distance) P-C4' energy: -90.553
flat angles C4'-P-C4' energy: -112.489
flat angles P-C4'-P energy: -68.045
tors. eta vs tors. theta energy: -151.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1728.088757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.088757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.088757 (E_RNA)
where:
Base-Base interactions energy: -1230.026
where: short stacking energy: -510.747
Base-Backbone interact. energy: -1.525
local terms energy: -496.538169
where:
bonds (distance) C4'-P energy: -82.789
bonds (distance) P-C4' energy: -85.607
flat angles C4'-P-C4' energy: -106.226
flat angles P-C4'-P energy: -69.784
tors. eta vs tors. theta energy: -152.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1644.618854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.618854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.618854 (E_RNA)
where:
Base-Base interactions energy: -1160.423
where: short stacking energy: -459.478
Base-Backbone interact. energy: -1.099
local terms energy: -483.096832
where:
bonds (distance) C4'-P energy: -80.312
bonds (distance) P-C4' energy: -94.016
flat angles C4'-P-C4' energy: -97.864
flat angles P-C4'-P energy: -77.819
tors. eta vs tors. theta energy: -133.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1527.131648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.131648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.131648 (E_RNA)
where:
Base-Base interactions energy: -1074.585
where: short stacking energy: -446.312
Base-Backbone interact. energy: -0.354
local terms energy: -452.192836
where:
bonds (distance) C4'-P energy: -76.417
bonds (distance) P-C4' energy: -81.744
flat angles C4'-P-C4' energy: -97.327
flat angles P-C4'-P energy: -75.082
tors. eta vs tors. theta energy: -121.622
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: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1344.083783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.083783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.083783 (E_RNA)
where:
Base-Base interactions energy: -914.704
where: short stacking energy: -375.521
Base-Backbone interact. energy: -1.129
local terms energy: -428.251682
where:
bonds (distance) C4'-P energy: -71.968
bonds (distance) P-C4' energy: -102.785
flat angles C4'-P-C4' energy: -98.647
flat angles P-C4'-P energy: -65.517
tors. eta vs tors. theta energy: -89.335
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: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1211.616662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.616662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.616662 (E_RNA)
where:
Base-Base interactions energy: -800.416
where: short stacking energy: -341.988
Base-Backbone interact. energy: -5.440
local terms energy: -405.760936
where:
bonds (distance) C4'-P energy: -80.005
bonds (distance) P-C4' energy: -97.847
flat angles C4'-P-C4' energy: -82.037
flat angles P-C4'-P energy: -54.481
tors. eta vs tors. theta energy: -91.391
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: 442
Temperature: 1.300000
Total energy: -981.100459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.100459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.100459 (E_RNA)
where:
Base-Base interactions energy: -628.062
where: short stacking energy: -275.655
Base-Backbone interact. energy: -2.324
local terms energy: -350.713730
where:
bonds (distance) C4'-P energy: -76.548
bonds (distance) P-C4' energy: -77.643
flat angles C4'-P-C4' energy: -93.442
flat angles P-C4'-P energy: -45.687
tors. eta vs tors. theta energy: -57.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -626.079777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.079777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.079777 (E_RNA)
where:
Base-Base interactions energy: -361.721
where: short stacking energy: -178.449
Base-Backbone interact. energy: -1.795
local terms energy: -262.563597
where:
bonds (distance) C4'-P energy: -76.768
bonds (distance) P-C4' energy: -71.723
flat angles C4'-P-C4' energy: -65.454
flat angles P-C4'-P energy: -46.680
tors. eta vs tors. theta energy: -1.938
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: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1860.435078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.435078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.435078 (E_RNA)
where:
Base-Base interactions energy: -1329.666
where: short stacking energy: -529.511
Base-Backbone interact. energy: -2.560
local terms energy: -528.208915
where:
bonds (distance) C4'-P energy: -109.590
bonds (distance) P-C4' energy: -92.499
flat angles C4'-P-C4' energy: -107.305
flat angles P-C4'-P energy: -71.236
tors. eta vs tors. theta energy: -147.579
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: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1792.860419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.860419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.860419 (E_RNA)
where:
Base-Base interactions energy: -1268.013
where: short stacking energy: -503.084
Base-Backbone interact. energy: -3.882
local terms energy: -520.965565
where:
bonds (distance) C4'-P energy: -96.471
bonds (distance) P-C4' energy: -94.487
flat angles C4'-P-C4' energy: -105.719
flat angles P-C4'-P energy: -74.845
tors. eta vs tors. theta energy: -149.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1693.891674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.891674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.891674 (E_RNA)
where:
Base-Base interactions energy: -1173.481
where: short stacking energy: -503.610
Base-Backbone interact. energy: -1.437
local terms energy: -518.973675
where:
bonds (distance) C4'-P energy: -91.852
bonds (distance) P-C4' energy: -90.272
flat angles C4'-P-C4' energy: -105.241
flat angles P-C4'-P energy: -84.572
tors. eta vs tors. theta energy: -147.036
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: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1674.236832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.236832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.236832 (E_RNA)
where:
Base-Base interactions energy: -1156.408
where: short stacking energy: -472.559
Base-Backbone interact. energy: -1.109
local terms energy: -516.719891
where:
bonds (distance) C4'-P energy: -100.389
bonds (distance) P-C4' energy: -98.902
flat angles C4'-P-C4' energy: -100.192
flat angles P-C4'-P energy: -72.728
tors. eta vs tors. theta energy: -144.509
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: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1668.363052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.363052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.363052 (E_RNA)
where:
Base-Base interactions energy: -1169.688
where: short stacking energy: -476.422
Base-Backbone interact. energy: -0.452
local terms energy: -498.223238
where:
bonds (distance) C4'-P energy: -91.303
bonds (distance) P-C4' energy: -87.598
flat angles C4'-P-C4' energy: -103.267
flat angles P-C4'-P energy: -68.558
tors. eta vs tors. theta energy: -147.496
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: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1409.950688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.950688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.950688 (E_RNA)
where:
Base-Base interactions energy: -979.922
where: short stacking energy: -390.857
Base-Backbone interact. energy: -2.470
local terms energy: -427.559055
where:
bonds (distance) C4'-P energy: -82.771
bonds (distance) P-C4' energy: -79.684
flat angles C4'-P-C4' energy: -99.936
flat angles P-C4'-P energy: -68.941
tors. eta vs tors. theta energy: -96.228
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: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1470.562478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.562478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.562478 (E_RNA)
where:
Base-Base interactions energy: -1014.994
where: short stacking energy: -447.505
Base-Backbone interact. energy: -0.546
local terms energy: -455.022307
where:
bonds (distance) C4'-P energy: -89.037
bonds (distance) P-C4' energy: -97.099
flat angles C4'-P-C4' energy: -86.908
flat angles P-C4'-P energy: -61.478
tors. eta vs tors. theta energy: -120.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1212.204848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.204848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.204848 (E_RNA)
where:
Base-Base interactions energy: -809.679
where: short stacking energy: -349.201
Base-Backbone interact. energy: 1.093
local terms energy: -403.618301
where:
bonds (distance) C4'-P energy: -75.233
bonds (distance) P-C4' energy: -84.210
flat angles C4'-P-C4' energy: -102.333
flat angles P-C4'-P energy: -52.987
tors. eta vs tors. theta energy: -88.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1000.368547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.368547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.368547 (E_RNA)
where:
Base-Base interactions energy: -657.341
where: short stacking energy: -268.978
Base-Backbone interact. energy: 0.112
local terms energy: -343.139608
where:
bonds (distance) C4'-P energy: -69.357
bonds (distance) P-C4' energy: -87.146
flat angles C4'-P-C4' energy: -80.004
flat angles P-C4'-P energy: -49.849
tors. eta vs tors. theta energy: -56.783
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: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -672.783922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.783922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.783922 (E_RNA)
where:
Base-Base interactions energy: -378.710
where: short stacking energy: -205.716
Base-Backbone interact. energy: 0.310
local terms energy: -294.384814
where:
bonds (distance) C4'-P energy: -78.463
bonds (distance) P-C4' energy: -69.263
flat angles C4'-P-C4' energy: -73.514
flat angles P-C4'-P energy: -51.255
tors. eta vs tors. theta energy: -21.890
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: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1853.716661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.716661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.716661 (E_RNA)
where:
Base-Base interactions energy: -1337.877
where: short stacking energy: -546.360
Base-Backbone interact. energy: -1.272
local terms energy: -514.568366
where:
bonds (distance) C4'-P energy: -89.002
bonds (distance) P-C4' energy: -88.481
flat angles C4'-P-C4' energy: -107.422
flat angles P-C4'-P energy: -81.046
tors. eta vs tors. theta energy: -148.617
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: 2, replica: 8
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1786.761446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.761446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.761446 (E_RNA)
where:
Base-Base interactions energy: -1243.846
where: short stacking energy: -505.704
Base-Backbone interact. energy: 0.777
local terms energy: -543.692983
where:
bonds (distance) C4'-P energy: -98.061
bonds (distance) P-C4' energy: -103.753
flat angles C4'-P-C4' energy: -111.487
flat angles P-C4'-P energy: -73.359
tors. eta vs tors. theta energy: -157.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1711.851804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.851804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.851804 (E_RNA)
where:
Base-Base interactions energy: -1193.380
where: short stacking energy: -515.070
Base-Backbone interact. energy: -1.353
local terms energy: -517.118991
where:
bonds (distance) C4'-P energy: -91.298
bonds (distance) P-C4' energy: -102.876
flat angles C4'-P-C4' energy: -110.209
flat angles P-C4'-P energy: -64.060
tors. eta vs tors. theta energy: -148.676
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: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1712.878900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.878900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.878900 (E_RNA)
where:
Base-Base interactions energy: -1199.818
where: short stacking energy: -498.363
Base-Backbone interact. energy: -3.039
local terms energy: -510.021986
where:
bonds (distance) C4'-P energy: -95.964
bonds (distance) P-C4' energy: -79.458
flat angles C4'-P-C4' energy: -116.476
flat angles P-C4'-P energy: -70.354
tors. eta vs tors. theta energy: -147.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1647.325742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.325742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.325742 (E_RNA)
where:
Base-Base interactions energy: -1147.787
where: short stacking energy: -487.014
Base-Backbone interact. energy: -0.898
local terms energy: -498.640447
where:
bonds (distance) C4'-P energy: -92.822
bonds (distance) P-C4' energy: -95.029
flat angles C4'-P-C4' energy: -112.368
flat angles P-C4'-P energy: -65.373
tors. eta vs tors. theta energy: -133.050
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: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1435.937316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.937316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.937316 (E_RNA)
where:
Base-Base interactions energy: -991.837
where: short stacking energy: -394.684
Base-Backbone interact. energy: 2.926
local terms energy: -447.026129
where:
bonds (distance) C4'-P energy: -78.786
bonds (distance) P-C4' energy: -91.425
flat angles C4'-P-C4' energy: -99.957
flat angles P-C4'-P energy: -66.541
tors. eta vs tors. theta energy: -110.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1473.623380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.623380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.623380 (E_RNA)
where:
Base-Base interactions energy: -1048.467
where: short stacking energy: -437.242
Base-Backbone interact. energy: -2.709
local terms energy: -422.447681
where:
bonds (distance) C4'-P energy: -64.431
bonds (distance) P-C4' energy: -82.785
flat angles C4'-P-C4' energy: -87.625
flat angles P-C4'-P energy: -66.402
tors. eta vs tors. theta energy: -121.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1189.490293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.490293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.490293 (E_RNA)
where:
Base-Base interactions energy: -776.074
where: short stacking energy: -349.909
Base-Backbone interact. energy: -2.199
local terms energy: -411.217834
where:
bonds (distance) C4'-P energy: -74.000
bonds (distance) P-C4' energy: -92.290
flat angles C4'-P-C4' energy: -97.614
flat angles P-C4'-P energy: -62.036
tors. eta vs tors. theta energy: -85.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1111.623599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.623599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.623599 (E_RNA)
where:
Base-Base interactions energy: -739.642
where: short stacking energy: -333.340
Base-Backbone interact. energy: 2.295
local terms energy: -374.276503
where:
bonds (distance) C4'-P energy: -75.665
bonds (distance) P-C4' energy: -74.846
flat angles C4'-P-C4' energy: -77.769
flat angles P-C4'-P energy: -61.174
tors. eta vs tors. theta energy: -84.823
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: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -669.452075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.452075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.452075 (E_RNA)
where:
Base-Base interactions energy: -399.280
where: short stacking energy: -196.243
Base-Backbone interact. energy: 0.259
local terms energy: -270.430755
where:
bonds (distance) C4'-P energy: -76.848
bonds (distance) P-C4' energy: -62.361
flat angles C4'-P-C4' energy: -85.091
flat angles P-C4'-P energy: -38.793
tors. eta vs tors. theta energy: -7.337
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: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1845.928888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.928888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.928888 (E_RNA)
where:
Base-Base interactions energy: -1305.145
where: short stacking energy: -525.126
Base-Backbone interact. energy: 0.257
local terms energy: -541.040625
where:
bonds (distance) C4'-P energy: -100.415
bonds (distance) P-C4' energy: -100.449
flat angles C4'-P-C4' energy: -110.527
flat angles P-C4'-P energy: -80.209
tors. eta vs tors. theta energy: -149.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1794.567761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.567761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.567761 (E_RNA)
where:
Base-Base interactions energy: -1255.284
where: short stacking energy: -515.448
Base-Backbone interact. energy: -3.197
local terms energy: -536.087446
where:
bonds (distance) C4'-P energy: -86.004
bonds (distance) P-C4' energy: -95.154
flat angles C4'-P-C4' energy: -116.897
flat angles P-C4'-P energy: -80.534
tors. eta vs tors. theta energy: -157.498
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: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1680.700994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.700994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.700994 (E_RNA)
where:
Base-Base interactions energy: -1183.659
where: short stacking energy: -506.970
Base-Backbone interact. energy: -1.068
local terms energy: -495.973410
where:
bonds (distance) C4'-P energy: -79.203
bonds (distance) P-C4' energy: -89.159
flat angles C4'-P-C4' energy: -109.818
flat angles P-C4'-P energy: -73.176
tors. eta vs tors. theta energy: -144.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1696.770453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.770453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.770453 (E_RNA)
where:
Base-Base interactions energy: -1188.739
where: short stacking energy: -502.827
Base-Backbone interact. energy: -2.823
local terms energy: -505.208154
where:
bonds (distance) C4'-P energy: -92.640
bonds (distance) P-C4' energy: -89.371
flat angles C4'-P-C4' energy: -101.011
flat angles P-C4'-P energy: -73.007
tors. eta vs tors. theta energy: -149.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1619.210432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.210432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.210432 (E_RNA)
where:
Base-Base interactions energy: -1136.750
where: short stacking energy: -475.800
Base-Backbone interact. energy: 0.685
local terms energy: -483.146149
where:
bonds (distance) C4'-P energy: -82.917
bonds (distance) P-C4' energy: -92.702
flat angles C4'-P-C4' energy: -101.849
flat angles P-C4'-P energy: -62.272
tors. eta vs tors. theta energy: -143.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1470.281533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.281533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.281533 (E_RNA)
where:
Base-Base interactions energy: -1031.362
where: short stacking energy: -447.567
Base-Backbone interact. energy: 5.877
local terms energy: -444.796436
where:
bonds (distance) C4'-P energy: -84.645
bonds (distance) P-C4' energy: -86.250
flat angles C4'-P-C4' energy: -93.435
flat angles P-C4'-P energy: -59.150
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: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1461.175300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.175300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.175300 (E_RNA)
where:
Base-Base interactions energy: -1024.044
where: short stacking energy: -428.407
Base-Backbone interact. energy: -0.844
local terms energy: -436.286745
where:
bonds (distance) C4'-P energy: -67.047
bonds (distance) P-C4' energy: -91.177
flat angles C4'-P-C4' energy: -109.453
flat angles P-C4'-P energy: -50.408
tors. eta vs tors. theta energy: -118.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1262.169637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.169637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.169637 (E_RNA)
where:
Base-Base interactions energy: -872.926
where: short stacking energy: -380.826
Base-Backbone interact. energy: -0.460
local terms energy: -388.784295
where:
bonds (distance) C4'-P energy: -65.013
bonds (distance) P-C4' energy: -76.933
flat angles C4'-P-C4' energy: -96.158
flat angles P-C4'-P energy: -55.710
tors. eta vs tors. theta energy: -94.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1081.502974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.502974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.502974 (E_RNA)
where:
Base-Base interactions energy: -741.499
where: short stacking energy: -317.728
Base-Backbone interact. energy: 6.233
local terms energy: -346.236584
where:
bonds (distance) C4'-P energy: -64.457
bonds (distance) P-C4' energy: -84.201
flat angles C4'-P-C4' energy: -80.146
flat angles P-C4'-P energy: -40.246
tors. eta vs tors. theta energy: -77.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -657.107015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.107015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.107015 (E_RNA)
where:
Base-Base interactions energy: -386.101
where: short stacking energy: -192.962
Base-Backbone interact. energy: -1.119
local terms energy: -269.887475
where:
bonds (distance) C4'-P energy: -75.340
bonds (distance) P-C4' energy: -69.817
flat angles C4'-P-C4' energy: -68.262
flat angles P-C4'-P energy: -40.094
tors. eta vs tors. theta energy: -16.374
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: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1867.461092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.461092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.461092 (E_RNA)
where:
Base-Base interactions energy: -1334.739
where: short stacking energy: -550.863
Base-Backbone interact. energy: -1.754
local terms energy: -530.968320
where:
bonds (distance) C4'-P energy: -99.459
bonds (distance) P-C4' energy: -96.677
flat angles C4'-P-C4' energy: -104.649
flat angles P-C4'-P energy: -76.048
tors. eta vs tors. theta energy: -154.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1789.249053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.249053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.249053 (E_RNA)
where:
Base-Base interactions energy: -1254.061
where: short stacking energy: -516.393
Base-Backbone interact. energy: -1.096
local terms energy: -534.092085
where:
bonds (distance) C4'-P energy: -96.145
bonds (distance) P-C4' energy: -99.657
flat angles C4'-P-C4' energy: -104.931
flat angles P-C4'-P energy: -73.651
tors. eta vs tors. theta energy: -159.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1748.461590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.461590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.461590 (E_RNA)
where:
Base-Base interactions energy: -1253.894
where: short stacking energy: -511.212
Base-Backbone interact. energy: -0.993
local terms energy: -493.574912
where:
bonds (distance) C4'-P energy: -92.493
bonds (distance) P-C4' energy: -78.028
flat angles C4'-P-C4' energy: -113.636
flat angles P-C4'-P energy: -66.425
tors. eta vs tors. theta energy: -142.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1690.788273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.788273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.788273 (E_RNA)
where:
Base-Base interactions energy: -1188.901
where: short stacking energy: -523.146
Base-Backbone interact. energy: -0.651
local terms energy: -501.236144
where:
bonds (distance) C4'-P energy: -88.528
bonds (distance) P-C4' energy: -79.722
flat angles C4'-P-C4' energy: -107.581
flat angles P-C4'-P energy: -72.623
tors. eta vs tors. theta energy: -152.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1606.380077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.380077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.380077 (E_RNA)
where:
Base-Base interactions energy: -1109.643
where: short stacking energy: -471.167
Base-Backbone interact. energy: -1.010
local terms energy: -495.726892
where:
bonds (distance) C4'-P energy: -78.968
bonds (distance) P-C4' energy: -101.362
flat angles C4'-P-C4' energy: -105.027
flat angles P-C4'-P energy: -75.308
tors. eta vs tors. theta energy: -135.062
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: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1436.061209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.061209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.061209 (E_RNA)
where:
Base-Base interactions energy: -1009.913
where: short stacking energy: -428.055
Base-Backbone interact. energy: -2.278
local terms energy: -423.869777
where:
bonds (distance) C4'-P energy: -82.411
bonds (distance) P-C4' energy: -79.047
flat angles C4'-P-C4' energy: -96.123
flat angles P-C4'-P energy: -55.183
tors. eta vs tors. theta energy: -111.106
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: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1434.006422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.006422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.006422 (E_RNA)
where:
Base-Base interactions energy: -1019.259
where: short stacking energy: -410.357
Base-Backbone interact. energy: -1.222
local terms energy: -413.525294
where:
bonds (distance) C4'-P energy: -86.031
bonds (distance) P-C4' energy: -83.586
flat angles C4'-P-C4' energy: -99.035
flat angles P-C4'-P energy: -49.957
tors. eta vs tors. theta energy: -94.915
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: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1176.064741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.064741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.064741 (E_RNA)
where:
Base-Base interactions energy: -811.555
where: short stacking energy: -328.735
Base-Backbone interact. energy: -0.312
local terms energy: -364.197843
where:
bonds (distance) C4'-P energy: -71.642
bonds (distance) P-C4' energy: -73.220
flat angles C4'-P-C4' energy: -90.522
flat angles P-C4'-P energy: -62.385
tors. eta vs tors. theta energy: -66.429
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: 446
Temperature: 1.300000
Total energy: -1068.160018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.160018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.160018 (E_RNA)
where:
Base-Base interactions energy: -717.518
where: short stacking energy: -351.284
Base-Backbone interact. energy: 0.729
local terms energy: -351.371196
where:
bonds (distance) C4'-P energy: -60.702
bonds (distance) P-C4' energy: -60.801
flat angles C4'-P-C4' energy: -84.421
flat angles P-C4'-P energy: -63.340
tors. eta vs tors. theta energy: -82.107
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: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -699.274036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.274036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.274036 (E_RNA)
where:
Base-Base interactions energy: -401.456
where: short stacking energy: -214.741
Base-Backbone interact. energy: -0.844
local terms energy: -296.974439
where:
bonds (distance) C4'-P energy: -70.824
bonds (distance) P-C4' energy: -87.774
flat angles C4'-P-C4' energy: -63.304
flat angles P-C4'-P energy: -42.896
tors. eta vs tors. theta energy: -32.177
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: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1866.496060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.496060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.496060 (E_RNA)
where:
Base-Base interactions energy: -1335.707
where: short stacking energy: -536.141
Base-Backbone interact. energy: 4.604
local terms energy: -535.393577
where:
bonds (distance) C4'-P energy: -81.453
bonds (distance) P-C4' energy: -108.008
flat angles C4'-P-C4' energy: -112.215
flat angles P-C4'-P energy: -82.429
tors. eta vs tors. theta energy: -151.289
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: 8
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1760.723796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.723796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.723796 (E_RNA)
where:
Base-Base interactions energy: -1247.396
where: short stacking energy: -512.322
Base-Backbone interact. energy: -1.148
local terms energy: -512.179759
where:
bonds (distance) C4'-P energy: -89.935
bonds (distance) P-C4' energy: -95.695
flat angles C4'-P-C4' energy: -100.161
flat angles P-C4'-P energy: -77.651
tors. eta vs tors. theta energy: -148.738
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: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1735.155378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.155378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.155378 (E_RNA)
where:
Base-Base interactions energy: -1244.072
where: short stacking energy: -485.296
Base-Backbone interact. energy: -5.639
local terms energy: -485.445105
where:
bonds (distance) C4'-P energy: -74.204
bonds (distance) P-C4' energy: -88.596
flat angles C4'-P-C4' energy: -105.076
flat angles P-C4'-P energy: -72.304
tors. eta vs tors. theta energy: -145.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1634.301286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.301286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.301286 (E_RNA)
where:
Base-Base interactions energy: -1160.398
where: short stacking energy: -481.652
Base-Backbone interact. energy: -0.689
local terms energy: -473.214612
where:
bonds (distance) C4'-P energy: -84.920
bonds (distance) P-C4' energy: -82.025
flat angles C4'-P-C4' energy: -98.556
flat angles P-C4'-P energy: -82.010
tors. eta vs tors. theta energy: -125.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1650.792836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.792836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.792836 (E_RNA)
where:
Base-Base interactions energy: -1167.158
where: short stacking energy: -502.320
Base-Backbone interact. energy: -0.205
local terms energy: -483.430363
where:
bonds (distance) C4'-P energy: -84.393
bonds (distance) P-C4' energy: -92.214
flat angles C4'-P-C4' energy: -96.776
flat angles P-C4'-P energy: -70.662
tors. eta vs tors. theta energy: -139.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1499.989341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.989341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.989341 (E_RNA)
where:
Base-Base interactions energy: -1041.108
where: short stacking energy: -438.947
Base-Backbone interact. energy: 0.034
local terms energy: -458.915083
where:
bonds (distance) C4'-P energy: -85.178
bonds (distance) P-C4' energy: -80.807
flat angles C4'-P-C4' energy: -101.795
flat angles P-C4'-P energy: -62.417
tors. eta vs tors. theta energy: -128.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1409.913533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.913533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.913533 (E_RNA)
where:
Base-Base interactions energy: -976.135
where: short stacking energy: -393.184
Base-Backbone interact. energy: 3.726
local terms energy: -437.504441
where:
bonds (distance) C4'-P energy: -87.819
bonds (distance) P-C4' energy: -90.231
flat angles C4'-P-C4' energy: -86.329
flat angles P-C4'-P energy: -55.928
tors. eta vs tors. theta energy: -117.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1153.885653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.885653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.885653 (E_RNA)
where:
Base-Base interactions energy: -773.978
where: short stacking energy: -349.651
Base-Backbone interact. energy: -2.227
local terms energy: -377.681091
where:
bonds (distance) C4'-P energy: -71.880
bonds (distance) P-C4' energy: -85.639
flat angles C4'-P-C4' energy: -94.641
flat angles P-C4'-P energy: -38.526
tors. eta vs tors. theta energy: -86.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1031.145004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.145004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.145004 (E_RNA)
where:
Base-Base interactions energy: -682.807
where: short stacking energy: -290.262
Base-Backbone interact. energy: -1.124
local terms energy: -347.213988
where:
bonds (distance) C4'-P energy: -68.018
bonds (distance) P-C4' energy: -79.432
flat angles C4'-P-C4' energy: -88.958
flat angles P-C4'-P energy: -54.907
tors. eta vs tors. theta energy: -55.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -724.943699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.943699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.943699 (E_RNA)
where:
Base-Base interactions energy: -424.424
where: short stacking energy: -217.065
Base-Backbone interact. energy: -2.621
local terms energy: -297.899071
where:
bonds (distance) C4'-P energy: -75.612
bonds (distance) P-C4' energy: -69.487
flat angles C4'-P-C4' energy: -75.111
flat angles P-C4'-P energy: -44.231
tors. eta vs tors. theta energy: -33.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1881.558905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.558905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.558905 (E_RNA)
where:
Base-Base interactions energy: -1344.630
where: short stacking energy: -544.939
Base-Backbone interact. energy: -2.084
local terms energy: -534.844050
where:
bonds (distance) C4'-P energy: -93.894
bonds (distance) P-C4' energy: -97.214
flat angles C4'-P-C4' energy: -116.221
flat angles P-C4'-P energy: -71.407
tors. eta vs tors. theta energy: -156.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1767.360636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.360636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.360636 (E_RNA)
where:
Base-Base interactions energy: -1244.286
where: short stacking energy: -516.067
Base-Backbone interact. energy: -1.717
local terms energy: -521.356998
where:
bonds (distance) C4'-P energy: -87.030
bonds (distance) P-C4' energy: -92.745
flat angles C4'-P-C4' energy: -111.151
flat angles P-C4'-P energy: -82.970
tors. eta vs tors. theta energy: -147.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1738.270921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.270921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.270921 (E_RNA)
where:
Base-Base interactions energy: -1239.338
where: short stacking energy: -524.585
Base-Backbone interact. energy: -2.842
local terms energy: -496.090465
where:
bonds (distance) C4'-P energy: -89.709
bonds (distance) P-C4' energy: -93.492
flat angles C4'-P-C4' energy: -100.068
flat angles P-C4'-P energy: -68.043
tors. eta vs tors. theta energy: -144.777
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: 4, replica: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1603.423264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.423264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.423264 (E_RNA)
where:
Base-Base interactions energy: -1110.163
where: short stacking energy: -472.059
Base-Backbone interact. energy: -0.428
local terms energy: -492.832945
where:
bonds (distance) C4'-P energy: -91.159
bonds (distance) P-C4' energy: -91.920
flat angles C4'-P-C4' energy: -107.990
flat angles P-C4'-P energy: -78.837
tors. eta vs tors. theta energy: -122.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1611.371773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.371773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.371773 (E_RNA)
where:
Base-Base interactions energy: -1138.929
where: short stacking energy: -466.111
Base-Backbone interact. energy: -1.126
local terms energy: -471.317009
where:
bonds (distance) C4'-P energy: -93.911
bonds (distance) P-C4' energy: -98.660
flat angles C4'-P-C4' energy: -89.639
flat angles P-C4'-P energy: -53.946
tors. eta vs tors. theta energy: -135.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1511.755787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.755787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.755787 (E_RNA)
where:
Base-Base interactions energy: -1062.347
where: short stacking energy: -434.204
Base-Backbone interact. energy: -1.398
local terms energy: -448.011219
where:
bonds (distance) C4'-P energy: -74.464
bonds (distance) P-C4' energy: -81.910
flat angles C4'-P-C4' energy: -99.806
flat angles P-C4'-P energy: -67.639
tors. eta vs tors. theta energy: -124.193
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: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1386.042340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.042340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.042340 (E_RNA)
where:
Base-Base interactions energy: -965.814
where: short stacking energy: -401.040
Base-Backbone interact. energy: -0.892
local terms energy: -419.336337
where:
bonds (distance) C4'-P energy: -79.748
bonds (distance) P-C4' energy: -82.621
flat angles C4'-P-C4' energy: -99.725
flat angles P-C4'-P energy: -56.709
tors. eta vs tors. theta energy: -100.533
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: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1154.824847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.824847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.824847 (E_RNA)
where:
Base-Base interactions energy: -762.932
where: short stacking energy: -333.279
Base-Backbone interact. energy: -0.773
local terms energy: -391.119821
where:
bonds (distance) C4'-P energy: -79.584
bonds (distance) P-C4' energy: -87.666
flat angles C4'-P-C4' energy: -82.152
flat angles P-C4'-P energy: -51.650
tors. eta vs tors. theta energy: -90.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1003.689705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.689705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.689705 (E_RNA)
where:
Base-Base interactions energy: -664.666
where: short stacking energy: -282.640
Base-Backbone interact. energy: -2.355
local terms energy: -336.668931
where:
bonds (distance) C4'-P energy: -72.250
bonds (distance) P-C4' energy: -85.898
flat angles C4'-P-C4' energy: -88.243
flat angles P-C4'-P energy: -41.906
tors. eta vs tors. theta energy: -48.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -680.627647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.627647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.627647 (E_RNA)
where:
Base-Base interactions energy: -388.398
where: short stacking energy: -193.287
Base-Backbone interact. energy: 2.143
local terms energy: -294.372284
where:
bonds (distance) C4'-P energy: -85.391
bonds (distance) P-C4' energy: -83.844
flat angles C4'-P-C4' energy: -71.376
flat angles P-C4'-P energy: -43.358
tors. eta vs tors. theta energy: -10.403
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: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1878.600295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.600295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.600295 (E_RNA)
where:
Base-Base interactions energy: -1318.087
where: short stacking energy: -546.280
Base-Backbone interact. energy: -0.955
local terms energy: -559.557985
where:
bonds (distance) C4'-P energy: -100.471
bonds (distance) P-C4' energy: -106.230
flat angles C4'-P-C4' energy: -110.134
flat angles P-C4'-P energy: -85.718
tors. eta vs tors. theta energy: -157.006
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: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1802.760082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.760082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.760082 (E_RNA)
where:
Base-Base interactions energy: -1281.522
where: short stacking energy: -510.995
Base-Backbone interact. energy: -3.798
local terms energy: -517.440896
where:
bonds (distance) C4'-P energy: -92.241
bonds (distance) P-C4' energy: -94.125
flat angles C4'-P-C4' energy: -108.191
flat angles P-C4'-P energy: -72.203
tors. eta vs tors. theta energy: -150.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1750.176374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.176374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.176374 (E_RNA)
where:
Base-Base interactions energy: -1226.800
where: short stacking energy: -514.814
Base-Backbone interact. energy: -2.079
local terms energy: -521.296985
where:
bonds (distance) C4'-P energy: -83.334
bonds (distance) P-C4' energy: -85.189
flat angles C4'-P-C4' energy: -116.683
flat angles P-C4'-P energy: -78.555
tors. eta vs tors. theta energy: -157.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1615.778261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.778261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.778261 (E_RNA)
where:
Base-Base interactions energy: -1135.064
where: short stacking energy: -468.934
Base-Backbone interact. energy: -0.141
local terms energy: -480.572733
where:
bonds (distance) C4'-P energy: -77.373
bonds (distance) P-C4' energy: -95.713
flat angles C4'-P-C4' energy: -100.477
flat angles P-C4'-P energy: -79.444
tors. eta vs tors. theta energy: -127.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1635.231217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.231217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.231217 (E_RNA)
where:
Base-Base interactions energy: -1158.552
where: short stacking energy: -474.045
Base-Backbone interact. energy: 0.148
local terms energy: -476.826510
where:
bonds (distance) C4'-P energy: -97.278
bonds (distance) P-C4' energy: -87.386
flat angles C4'-P-C4' energy: -98.573
flat angles P-C4'-P energy: -56.604
tors. eta vs tors. theta energy: -136.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1532.630432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.630432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.630432 (E_RNA)
where:
Base-Base interactions energy: -1090.847
where: short stacking energy: -449.609
Base-Backbone interact. energy: -1.366
local terms energy: -440.418354
where:
bonds (distance) C4'-P energy: -78.574
bonds (distance) P-C4' energy: -77.175
flat angles C4'-P-C4' energy: -89.008
flat angles P-C4'-P energy: -69.958
tors. eta vs tors. theta energy: -125.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1463.460960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.460960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.460960 (E_RNA)
where:
Base-Base interactions energy: -1035.987
where: short stacking energy: -431.641
Base-Backbone interact. energy: -2.272
local terms energy: -425.202110
where:
bonds (distance) C4'-P energy: -79.428
bonds (distance) P-C4' energy: -80.822
flat angles C4'-P-C4' energy: -91.269
flat angles P-C4'-P energy: -64.832
tors. eta vs tors. theta energy: -108.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1156.109998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.109998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.109998 (E_RNA)
where:
Base-Base interactions energy: -790.267
where: short stacking energy: -344.389
Base-Backbone interact. energy: -0.189
local terms energy: -365.654100
where:
bonds (distance) C4'-P energy: -66.911
bonds (distance) P-C4' energy: -82.422
flat angles C4'-P-C4' energy: -83.640
flat angles P-C4'-P energy: -60.426
tors. eta vs tors. theta energy: -72.255
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: 449
Temperature: 1.300000
Total energy: -1018.984571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.984571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.984571 (E_RNA)
where:
Base-Base interactions energy: -643.257
where: short stacking energy: -286.990
Base-Backbone interact. energy: 2.427
local terms energy: -378.153986
where:
bonds (distance) C4'-P energy: -75.017
bonds (distance) P-C4' energy: -82.110
flat angles C4'-P-C4' energy: -98.068
flat angles P-C4'-P energy: -58.270
tors. eta vs tors. theta energy: -64.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -661.142773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.142773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.142773 (E_RNA)
where:
Base-Base interactions energy: -355.578
where: short stacking energy: -196.592
Base-Backbone interact. energy: 0.688
local terms energy: -306.253271
where:
bonds (distance) C4'-P energy: -77.681
bonds (distance) P-C4' energy: -90.752
flat angles C4'-P-C4' energy: -80.269
flat angles P-C4'-P energy: -48.672
tors. eta vs tors. theta energy: -8.880
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: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1876.855088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.855088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.855088 (E_RNA)
where:
Base-Base interactions energy: -1344.875
where: short stacking energy: -548.751
Base-Backbone interact. energy: -2.080
local terms energy: -529.900148
where:
bonds (distance) C4'-P energy: -90.730
bonds (distance) P-C4' energy: -97.485
flat angles C4'-P-C4' energy: -106.548
flat angles P-C4'-P energy: -77.854
tors. eta vs tors. theta energy: -157.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1789.011852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.011852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.011852 (E_RNA)
where:
Base-Base interactions energy: -1261.715
where: short stacking energy: -510.326
Base-Backbone interact. energy: -2.026
local terms energy: -525.271236
where:
bonds (distance) C4'-P energy: -85.326
bonds (distance) P-C4' energy: -97.654
flat angles C4'-P-C4' energy: -114.419
flat angles P-C4'-P energy: -72.571
tors. eta vs tors. theta energy: -155.301
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: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1725.416724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.416724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.416724 (E_RNA)
where:
Base-Base interactions energy: -1220.974
where: short stacking energy: -496.071
Base-Backbone interact. energy: -1.414
local terms energy: -503.028723
where:
bonds (distance) C4'-P energy: -86.362
bonds (distance) P-C4' energy: -83.644
flat angles C4'-P-C4' energy: -105.430
flat angles P-C4'-P energy: -77.444
tors. eta vs tors. theta energy: -150.149
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: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1612.429629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.429629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.429629 (E_RNA)
where:
Base-Base interactions energy: -1106.359
where: short stacking energy: -479.072
Base-Backbone interact. energy: -0.216
local terms energy: -505.854621
where:
bonds (distance) C4'-P energy: -88.669
bonds (distance) P-C4' energy: -91.774
flat angles C4'-P-C4' energy: -112.358
flat angles P-C4'-P energy: -78.670
tors. eta vs tors. theta energy: -134.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1624.487162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.487162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.487162 (E_RNA)
where:
Base-Base interactions energy: -1135.685
where: short stacking energy: -461.094
Base-Backbone interact. energy: -2.666
local terms energy: -486.135929
where:
bonds (distance) C4'-P energy: -85.374
bonds (distance) P-C4' energy: -90.225
flat angles C4'-P-C4' energy: -113.954
flat angles P-C4'-P energy: -66.059
tors. eta vs tors. theta energy: -130.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1477.759381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.759381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.759381 (E_RNA)
where:
Base-Base interactions energy: -1045.751
where: short stacking energy: -425.763
Base-Backbone interact. energy: -0.524
local terms energy: -431.484800
where:
bonds (distance) C4'-P energy: -89.801
bonds (distance) P-C4' energy: -90.081
flat angles C4'-P-C4' energy: -84.037
flat angles P-C4'-P energy: -49.982
tors. eta vs tors. theta energy: -117.584
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: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1449.951890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.951890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.951890 (E_RNA)
where:
Base-Base interactions energy: -1020.042
where: short stacking energy: -394.133
Base-Backbone interact. energy: -1.072
local terms energy: -428.837378
where:
bonds (distance) C4'-P energy: -82.673
bonds (distance) P-C4' energy: -78.049
flat angles C4'-P-C4' energy: -83.452
flat angles P-C4'-P energy: -70.339
tors. eta vs tors. theta energy: -114.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1130.286200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.286200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.286200 (E_RNA)
where:
Base-Base interactions energy: -730.712
where: short stacking energy: -322.701
Base-Backbone interact. energy: 0.871
local terms energy: -400.445014
where:
bonds (distance) C4'-P energy: -74.950
bonds (distance) P-C4' energy: -87.180
flat angles C4'-P-C4' energy: -88.658
flat angles P-C4'-P energy: -64.524
tors. eta vs tors. theta energy: -85.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -969.620796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.620796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.620796 (E_RNA)
where:
Base-Base interactions energy: -627.208
where: short stacking energy: -275.265
Base-Backbone interact. energy: 1.618
local terms energy: -344.031311
where:
bonds (distance) C4'-P energy: -83.456
bonds (distance) P-C4' energy: -80.766
flat angles C4'-P-C4' energy: -76.972
flat angles P-C4'-P energy: -44.539
tors. eta vs tors. theta energy: -58.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -648.456733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.456733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.456733 (E_RNA)
where:
Base-Base interactions energy: -374.747
where: short stacking energy: -172.820
Base-Backbone interact. energy: 5.931
local terms energy: -279.640073
where:
bonds (distance) C4'-P energy: -75.345
bonds (distance) P-C4' energy: -92.535
flat angles C4'-P-C4' energy: -74.578
flat angles P-C4'-P energy: -34.126
tors. eta vs tors. theta energy: -3.057
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: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1875.862674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.862674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.862674 (E_RNA)
where:
Base-Base interactions energy: -1335.689
where: short stacking energy: -545.344
Base-Backbone interact. energy: -1.499
local terms energy: -538.675214
where:
bonds (distance) C4'-P energy: -108.709
bonds (distance) P-C4' energy: -86.213
flat angles C4'-P-C4' energy: -111.002
flat angles P-C4'-P energy: -76.303
tors. eta vs tors. theta energy: -156.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1777.488443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.488443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.488443 (E_RNA)
where:
Base-Base interactions energy: -1242.439
where: short stacking energy: -529.850
Base-Backbone interact. energy: -2.706
local terms energy: -532.343711
where:
bonds (distance) C4'-P energy: -90.555
bonds (distance) P-C4' energy: -100.648
flat angles C4'-P-C4' energy: -117.893
flat angles P-C4'-P energy: -74.413
tors. eta vs tors. theta energy: -148.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1737.613203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.613203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.613203 (E_RNA)
where:
Base-Base interactions energy: -1225.576
where: short stacking energy: -507.343
Base-Backbone interact. energy: -2.428
local terms energy: -509.609835
where:
bonds (distance) C4'-P energy: -94.451
bonds (distance) P-C4' energy: -90.343
flat angles C4'-P-C4' energy: -100.699
flat angles P-C4'-P energy: -78.635
tors. eta vs tors. theta energy: -145.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1635.540208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.540208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.540208 (E_RNA)
where:
Base-Base interactions energy: -1155.944
where: short stacking energy: -465.674
Base-Backbone interact. energy: -2.239
local terms energy: -477.358012
where:
bonds (distance) C4'-P energy: -79.152
bonds (distance) P-C4' energy: -91.367
flat angles C4'-P-C4' energy: -96.816
flat angles P-C4'-P energy: -76.524
tors. eta vs tors. theta energy: -133.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1638.204639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.204639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.204639 (E_RNA)
where:
Base-Base interactions energy: -1162.126
where: short stacking energy: -479.896
Base-Backbone interact. energy: -2.429
local terms energy: -473.650047
where:
bonds (distance) C4'-P energy: -67.423
bonds (distance) P-C4' energy: -84.190
flat angles C4'-P-C4' energy: -101.968
flat angles P-C4'-P energy: -83.489
tors. eta vs tors. theta energy: -136.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1521.047668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.047668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.047668 (E_RNA)
where:
Base-Base interactions energy: -1046.255
where: short stacking energy: -421.385
Base-Backbone interact. energy: -2.906
local terms energy: -471.886200
where:
bonds (distance) C4'-P energy: -74.362
bonds (distance) P-C4' energy: -98.363
flat angles C4'-P-C4' energy: -103.965
flat angles P-C4'-P energy: -73.924
tors. eta vs tors. theta energy: -121.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1455.215593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.215593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.215593 (E_RNA)
where:
Base-Base interactions energy: -1021.063
where: short stacking energy: -409.526
Base-Backbone interact. energy: -0.775
local terms energy: -433.378247
where:
bonds (distance) C4'-P energy: -82.770
bonds (distance) P-C4' energy: -78.245
flat angles C4'-P-C4' energy: -100.213
flat angles P-C4'-P energy: -64.863
tors. eta vs tors. theta energy: -107.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1153.530096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.530096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.530096 (E_RNA)
where:
Base-Base interactions energy: -762.893
where: short stacking energy: -340.035
Base-Backbone interact. energy: -0.371
local terms energy: -390.266044
where:
bonds (distance) C4'-P energy: -81.045
bonds (distance) P-C4' energy: -89.850
flat angles C4'-P-C4' energy: -79.342
flat angles P-C4'-P energy: -54.676
tors. eta vs tors. theta energy: -85.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -967.349920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.349920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.349920 (E_RNA)
where:
Base-Base interactions energy: -646.006
where: short stacking energy: -280.107
Base-Backbone interact. energy: -0.151
local terms energy: -321.193014
where:
bonds (distance) C4'-P energy: -77.891
bonds (distance) P-C4' energy: -77.369
flat angles C4'-P-C4' energy: -55.220
flat angles P-C4'-P energy: -52.257
tors. eta vs tors. theta energy: -58.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -648.189456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.189456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.189456 (E_RNA)
where:
Base-Base interactions energy: -386.408
where: short stacking energy: -174.018
Base-Backbone interact. energy: 0.535
local terms energy: -262.316361
where:
bonds (distance) C4'-P energy: -60.543
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -73.115
flat angles P-C4'-P energy: -45.367
tors. eta vs tors. theta energy: 2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1878.162749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.162749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.162749 (E_RNA)
where:
Base-Base interactions energy: -1325.152
where: short stacking energy: -520.922
Base-Backbone interact. energy: -1.696
local terms energy: -551.315498
where:
bonds (distance) C4'-P energy: -101.625
bonds (distance) P-C4' energy: -104.833
flat angles C4'-P-C4' energy: -109.471
flat angles P-C4'-P energy: -83.854
tors. eta vs tors. theta energy: -151.532
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: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1776.249802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.249802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.249802 (E_RNA)
where:
Base-Base interactions energy: -1247.165
where: short stacking energy: -514.663
Base-Backbone interact. energy: -0.505
local terms energy: -528.579786
where:
bonds (distance) C4'-P energy: -93.427
bonds (distance) P-C4' energy: -106.406
flat angles C4'-P-C4' energy: -105.027
flat angles P-C4'-P energy: -71.733
tors. eta vs tors. theta energy: -151.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1722.244945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.244945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.244945 (E_RNA)
where:
Base-Base interactions energy: -1219.158
where: short stacking energy: -496.092
Base-Backbone interact. energy: -1.278
local terms energy: -501.809843
where:
bonds (distance) C4'-P energy: -79.577
bonds (distance) P-C4' energy: -89.261
flat angles C4'-P-C4' energy: -113.922
flat angles P-C4'-P energy: -74.107
tors. eta vs tors. theta energy: -144.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1674.652473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.652473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.652473 (E_RNA)
where:
Base-Base interactions energy: -1172.339
where: short stacking energy: -492.991
Base-Backbone interact. energy: -0.314
local terms energy: -502.000007
where:
bonds (distance) C4'-P energy: -82.365
bonds (distance) P-C4' energy: -101.769
flat angles C4'-P-C4' energy: -117.132
flat angles P-C4'-P energy: -66.214
tors. eta vs tors. theta energy: -134.520
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: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1613.129467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.129467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.129467 (E_RNA)
where:
Base-Base interactions energy: -1150.580
where: short stacking energy: -477.897
Base-Backbone interact. energy: -0.081
local terms energy: -462.468620
where:
bonds (distance) C4'-P energy: -86.320
bonds (distance) P-C4' energy: -84.768
flat angles C4'-P-C4' energy: -96.566
flat angles P-C4'-P energy: -66.699
tors. eta vs tors. theta energy: -128.116
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: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1557.161911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.161911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.161911 (E_RNA)
where:
Base-Base interactions energy: -1127.695
where: short stacking energy: -454.700
Base-Backbone interact. energy: -2.179
local terms energy: -427.287191
where:
bonds (distance) C4'-P energy: -72.829
bonds (distance) P-C4' energy: -78.994
flat angles C4'-P-C4' energy: -94.851
flat angles P-C4'-P energy: -48.421
tors. eta vs tors. theta energy: -132.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1420.179764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.179764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.179764 (E_RNA)
where:
Base-Base interactions energy: -992.145
where: short stacking energy: -395.121
Base-Backbone interact. energy: -2.382
local terms energy: -425.652510
where:
bonds (distance) C4'-P energy: -66.162
bonds (distance) P-C4' energy: -93.907
flat angles C4'-P-C4' energy: -86.199
flat angles P-C4'-P energy: -63.823
tors. eta vs tors. theta energy: -115.562
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: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1210.679403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.679403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.679403 (E_RNA)
where:
Base-Base interactions energy: -800.663
where: short stacking energy: -357.726
Base-Backbone interact. energy: 2.230
local terms energy: -412.246861
where:
bonds (distance) C4'-P energy: -88.112
bonds (distance) P-C4' energy: -80.366
flat angles C4'-P-C4' energy: -94.036
flat angles P-C4'-P energy: -57.014
tors. eta vs tors. theta energy: -92.719
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: 452
Temperature: 1.300000
Total energy: -996.670093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.670093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.670093 (E_RNA)
where:
Base-Base interactions energy: -658.159
where: short stacking energy: -291.330
Base-Backbone interact. energy: -2.105
local terms energy: -336.406051
where:
bonds (distance) C4'-P energy: -60.465
bonds (distance) P-C4' energy: -72.683
flat angles C4'-P-C4' energy: -87.052
flat angles P-C4'-P energy: -53.707
tors. eta vs tors. theta energy: -62.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -656.749925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.749925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.749925 (E_RNA)
where:
Base-Base interactions energy: -371.562
where: short stacking energy: -170.081
Base-Backbone interact. energy: 1.519
local terms energy: -286.706639
where:
bonds (distance) C4'-P energy: -73.449
bonds (distance) P-C4' energy: -74.710
flat angles C4'-P-C4' energy: -74.662
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -21.077
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: 6
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1852.458405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.458405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.458405 (E_RNA)
where:
Base-Base interactions energy: -1312.511
where: short stacking energy: -529.942
Base-Backbone interact. energy: -1.335
local terms energy: -538.613163
where:
bonds (distance) C4'-P energy: -96.670
bonds (distance) P-C4' energy: -88.909
flat angles C4'-P-C4' energy: -114.357
flat angles P-C4'-P energy: -84.875
tors. eta vs tors. theta energy: -153.802
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: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1793.141136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.141136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.141136 (E_RNA)
where:
Base-Base interactions energy: -1256.989
where: short stacking energy: -531.269
Base-Backbone interact. energy: -0.457
local terms energy: -535.695182
where:
bonds (distance) C4'-P energy: -88.890
bonds (distance) P-C4' energy: -100.117
flat angles C4'-P-C4' energy: -119.265
flat angles P-C4'-P energy: -70.859
tors. eta vs tors. theta energy: -156.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1734.860865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.860865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.860865 (E_RNA)
where:
Base-Base interactions energy: -1225.812
where: short stacking energy: -510.947
Base-Backbone interact. energy: -1.152
local terms energy: -507.897042
where:
bonds (distance) C4'-P energy: -84.658
bonds (distance) P-C4' energy: -83.504
flat angles C4'-P-C4' energy: -115.322
flat angles P-C4'-P energy: -74.988
tors. eta vs tors. theta energy: -149.425
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: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1674.599602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.599602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.599602 (E_RNA)
where:
Base-Base interactions energy: -1185.560
where: short stacking energy: -490.247
Base-Backbone interact. energy: -2.275
local terms energy: -486.764466
where:
bonds (distance) C4'-P energy: -86.065
bonds (distance) P-C4' energy: -83.125
flat angles C4'-P-C4' energy: -99.473
flat angles P-C4'-P energy: -66.572
tors. eta vs tors. theta energy: -151.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1612.798261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.798261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.798261 (E_RNA)
where:
Base-Base interactions energy: -1119.379
where: short stacking energy: -462.746
Base-Backbone interact. energy: -1.191
local terms energy: -492.228685
where:
bonds (distance) C4'-P energy: -81.719
bonds (distance) P-C4' energy: -88.657
flat angles C4'-P-C4' energy: -105.022
flat angles P-C4'-P energy: -79.339
tors. eta vs tors. theta energy: -137.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1561.119284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.119284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.119284 (E_RNA)
where:
Base-Base interactions energy: -1115.999
where: short stacking energy: -446.544
Base-Backbone interact. energy: 3.210
local terms energy: -448.330168
where:
bonds (distance) C4'-P energy: -92.402
bonds (distance) P-C4' energy: -81.801
flat angles C4'-P-C4' energy: -84.513
flat angles P-C4'-P energy: -72.907
tors. eta vs tors. theta energy: -116.708
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: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1439.123154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.123154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.123154 (E_RNA)
where:
Base-Base interactions energy: -990.113
where: short stacking energy: -421.802
Base-Backbone interact. energy: -2.275
local terms energy: -446.735576
where:
bonds (distance) C4'-P energy: -68.221
bonds (distance) P-C4' energy: -93.915
flat angles C4'-P-C4' energy: -102.978
flat angles P-C4'-P energy: -65.763
tors. eta vs tors. theta energy: -115.857
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: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1182.670712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.670712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.670712 (E_RNA)
where:
Base-Base interactions energy: -795.622
where: short stacking energy: -334.550
Base-Backbone interact. energy: 1.267
local terms energy: -388.315237
where:
bonds (distance) C4'-P energy: -76.933
bonds (distance) P-C4' energy: -76.585
flat angles C4'-P-C4' energy: -94.711
flat angles P-C4'-P energy: -55.650
tors. eta vs tors. theta energy: -84.437
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: 453
Temperature: 1.300000
Total energy: -974.880501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.880501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.880501 (E_RNA)
where:
Base-Base interactions energy: -630.868
where: short stacking energy: -269.088
Base-Backbone interact. energy: -1.721
local terms energy: -342.292109
where:
bonds (distance) C4'-P energy: -75.167
bonds (distance) P-C4' energy: -77.993
flat angles C4'-P-C4' energy: -82.881
flat angles P-C4'-P energy: -46.482
tors. eta vs tors. theta energy: -59.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -669.836045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.836045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.836045 (E_RNA)
where:
Base-Base interactions energy: -379.307
where: short stacking energy: -182.542
Base-Backbone interact. energy: 0.621
local terms energy: -291.150353
where:
bonds (distance) C4'-P energy: -72.353
bonds (distance) P-C4' energy: -72.348
flat angles C4'-P-C4' energy: -72.977
flat angles P-C4'-P energy: -44.837
tors. eta vs tors. theta energy: -28.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1854.320699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.320699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.320699 (E_RNA)
where:
Base-Base interactions energy: -1291.670
where: short stacking energy: -545.495
Base-Backbone interact. energy: -2.808
local terms energy: -559.842795
where:
bonds (distance) C4'-P energy: -99.174
bonds (distance) P-C4' energy: -102.740
flat angles C4'-P-C4' energy: -120.438
flat angles P-C4'-P energy: -86.044
tors. eta vs tors. theta energy: -151.447
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: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1787.925552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.925552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.925552 (E_RNA)
where:
Base-Base interactions energy: -1263.587
where: short stacking energy: -518.836
Base-Backbone interact. energy: -1.861
local terms energy: -522.477565
where:
bonds (distance) C4'-P energy: -89.640
bonds (distance) P-C4' energy: -97.415
flat angles C4'-P-C4' energy: -112.775
flat angles P-C4'-P energy: -68.050
tors. eta vs tors. theta energy: -154.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1730.781558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.781558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.781558 (E_RNA)
where:
Base-Base interactions energy: -1209.591
where: short stacking energy: -508.459
Base-Backbone interact. energy: -0.116
local terms energy: -521.074283
where:
bonds (distance) C4'-P energy: -87.582
bonds (distance) P-C4' energy: -95.987
flat angles C4'-P-C4' energy: -106.165
flat angles P-C4'-P energy: -82.361
tors. eta vs tors. theta energy: -148.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1646.370167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.370167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.370167 (E_RNA)
where:
Base-Base interactions energy: -1158.581
where: short stacking energy: -497.244
Base-Backbone interact. energy: 3.518
local terms energy: -491.306522
where:
bonds (distance) C4'-P energy: -71.956
bonds (distance) P-C4' energy: -95.923
flat angles C4'-P-C4' energy: -108.305
flat angles P-C4'-P energy: -73.658
tors. eta vs tors. theta energy: -141.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1569.349742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.349742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.349742 (E_RNA)
where:
Base-Base interactions energy: -1084.056
where: short stacking energy: -450.110
Base-Backbone interact. energy: -0.109
local terms energy: -485.184323
where:
bonds (distance) C4'-P energy: -89.954
bonds (distance) P-C4' energy: -88.683
flat angles C4'-P-C4' energy: -110.867
flat angles P-C4'-P energy: -72.290
tors. eta vs tors. theta energy: -123.391
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: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1566.478842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.478842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.478842 (E_RNA)
where:
Base-Base interactions energy: -1103.258
where: short stacking energy: -413.521
Base-Backbone interact. energy: -0.268
local terms energy: -462.952702
where:
bonds (distance) C4'-P energy: -82.170
bonds (distance) P-C4' energy: -89.284
flat angles C4'-P-C4' energy: -98.973
flat angles P-C4'-P energy: -65.775
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: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1459.560207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.560207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.560207 (E_RNA)
where:
Base-Base interactions energy: -1011.302
where: short stacking energy: -429.113
Base-Backbone interact. energy: 1.004
local terms energy: -449.261572
where:
bonds (distance) C4'-P energy: -79.667
bonds (distance) P-C4' energy: -83.331
flat angles C4'-P-C4' energy: -96.042
flat angles P-C4'-P energy: -65.974
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: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1216.949449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.949449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.949449 (E_RNA)
where:
Base-Base interactions energy: -839.374
where: short stacking energy: -367.644
Base-Backbone interact. energy: 1.493
local terms energy: -379.067785
where:
bonds (distance) C4'-P energy: -61.119
bonds (distance) P-C4' energy: -84.297
flat angles C4'-P-C4' energy: -80.807
flat angles P-C4'-P energy: -54.718
tors. eta vs tors. theta energy: -98.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1035.479130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.479130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.479130 (E_RNA)
where:
Base-Base interactions energy: -673.261
where: short stacking energy: -294.919
Base-Backbone interact. energy: 0.319
local terms energy: -362.537111
where:
bonds (distance) C4'-P energy: -69.504
bonds (distance) P-C4' energy: -85.212
flat angles C4'-P-C4' energy: -81.124
flat angles P-C4'-P energy: -59.470
tors. eta vs tors. theta energy: -67.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -698.325855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.325855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.325855 (E_RNA)
where:
Base-Base interactions energy: -408.375
where: short stacking energy: -189.595
Base-Backbone interact. energy: 5.098
local terms energy: -295.049436
where:
bonds (distance) C4'-P energy: -79.146
bonds (distance) P-C4' energy: -68.831
flat angles C4'-P-C4' energy: -76.879
flat angles P-C4'-P energy: -59.843
tors. eta vs tors. theta energy: -10.350
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: 1, replica: 6
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1849.249820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.249820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.249820 (E_RNA)
where:
Base-Base interactions energy: -1304.400
where: short stacking energy: -530.169
Base-Backbone interact. energy: -2.169
local terms energy: -542.680424
where:
bonds (distance) C4'-P energy: -98.964
bonds (distance) P-C4' energy: -96.228
flat angles C4'-P-C4' energy: -114.010
flat angles P-C4'-P energy: -87.344
tors. eta vs tors. theta energy: -146.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1785.546334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.546334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.546334 (E_RNA)
where:
Base-Base interactions energy: -1278.372
where: short stacking energy: -524.907
Base-Backbone interact. energy: -1.568
local terms energy: -505.606605
where:
bonds (distance) C4'-P energy: -86.682
bonds (distance) P-C4' energy: -82.844
flat angles C4'-P-C4' energy: -119.295
flat angles P-C4'-P energy: -72.635
tors. eta vs tors. theta energy: -144.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1714.202066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.202066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.202066 (E_RNA)
where:
Base-Base interactions energy: -1214.545
where: short stacking energy: -511.153
Base-Backbone interact. energy: -3.819
local terms energy: -495.838219
where:
bonds (distance) C4'-P energy: -88.453
bonds (distance) P-C4' energy: -94.474
flat angles C4'-P-C4' energy: -107.338
flat angles P-C4'-P energy: -69.800
tors. eta vs tors. theta energy: -135.774
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: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1675.320628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.320628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.320628 (E_RNA)
where:
Base-Base interactions energy: -1168.350
where: short stacking energy: -492.627
Base-Backbone interact. energy: -1.235
local terms energy: -505.734683
where:
bonds (distance) C4'-P energy: -81.833
bonds (distance) P-C4' energy: -91.715
flat angles C4'-P-C4' energy: -111.360
flat angles P-C4'-P energy: -85.173
tors. eta vs tors. theta energy: -135.654
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: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1583.272579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.272579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.272579 (E_RNA)
where:
Base-Base interactions energy: -1126.889
where: short stacking energy: -459.143
Base-Backbone interact. energy: -0.230
local terms energy: -456.153885
where:
bonds (distance) C4'-P energy: -88.839
bonds (distance) P-C4' energy: -81.244
flat angles C4'-P-C4' energy: -96.948
flat angles P-C4'-P energy: -65.704
tors. eta vs tors. theta energy: -123.418
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: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1583.699714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.699714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.699714 (E_RNA)
where:
Base-Base interactions energy: -1108.935
where: short stacking energy: -433.688
Base-Backbone interact. energy: -0.030
local terms energy: -474.734885
where:
bonds (distance) C4'-P energy: -74.495
bonds (distance) P-C4' energy: -100.345
flat angles C4'-P-C4' energy: -112.884
flat angles P-C4'-P energy: -63.133
tors. eta vs tors. theta energy: -123.877
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: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1431.584249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.584249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.584249 (E_RNA)
where:
Base-Base interactions energy: -986.194
where: short stacking energy: -410.411
Base-Backbone interact. energy: -1.249
local terms energy: -444.140593
where:
bonds (distance) C4'-P energy: -79.023
bonds (distance) P-C4' energy: -89.274
flat angles C4'-P-C4' energy: -98.126
flat angles P-C4'-P energy: -61.377
tors. eta vs tors. theta energy: -116.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1239.803983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.803983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.803983 (E_RNA)
where:
Base-Base interactions energy: -834.245
where: short stacking energy: -362.448
Base-Backbone interact. energy: -0.907
local terms energy: -404.652229
where:
bonds (distance) C4'-P energy: -88.815
bonds (distance) P-C4' energy: -81.589
flat angles C4'-P-C4' energy: -82.869
flat angles P-C4'-P energy: -57.277
tors. eta vs tors. theta energy: -94.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1042.132276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.132276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.132276 (E_RNA)
where:
Base-Base interactions energy: -683.441
where: short stacking energy: -291.137
Base-Backbone interact. energy: -0.399
local terms energy: -358.291749
where:
bonds (distance) C4'-P energy: -90.020
bonds (distance) P-C4' energy: -62.136
flat angles C4'-P-C4' energy: -84.167
flat angles P-C4'-P energy: -54.801
tors. eta vs tors. theta energy: -67.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -702.862171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.862171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.862171 (E_RNA)
where:
Base-Base interactions energy: -422.569
where: short stacking energy: -201.242
Base-Backbone interact. energy: 0.880
local terms energy: -281.173047
where:
bonds (distance) C4'-P energy: -69.009
bonds (distance) P-C4' energy: -77.997
flat angles C4'-P-C4' energy: -77.420
flat angles P-C4'-P energy: -49.958
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1858.986058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.986058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.986058 (E_RNA)
where:
Base-Base interactions energy: -1320.134
where: short stacking energy: -539.829
Base-Backbone interact. energy: -3.489
local terms energy: -535.362891
where:
bonds (distance) C4'-P energy: -95.570
bonds (distance) P-C4' energy: -91.506
flat angles C4'-P-C4' energy: -111.179
flat angles P-C4'-P energy: -84.023
tors. eta vs tors. theta energy: -153.085
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: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1801.740556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.740556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.740556 (E_RNA)
where:
Base-Base interactions energy: -1269.000
where: short stacking energy: -532.325
Base-Backbone interact. energy: -1.718
local terms energy: -531.022638
where:
bonds (distance) C4'-P energy: -96.869
bonds (distance) P-C4' energy: -96.765
flat angles C4'-P-C4' energy: -105.176
flat angles P-C4'-P energy: -72.709
tors. eta vs tors. theta energy: -159.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1728.543105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.543105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.543105 (E_RNA)
where:
Base-Base interactions energy: -1228.987
where: short stacking energy: -511.926
Base-Backbone interact. energy: -0.037
local terms energy: -499.518990
where:
bonds (distance) C4'-P energy: -80.817
bonds (distance) P-C4' energy: -93.940
flat angles C4'-P-C4' energy: -102.838
flat angles P-C4'-P energy: -76.040
tors. eta vs tors. theta energy: -145.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1676.629182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.629182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.629182 (E_RNA)
where:
Base-Base interactions energy: -1164.627
where: short stacking energy: -480.283
Base-Backbone interact. energy: -1.713
local terms energy: -510.289654
where:
bonds (distance) C4'-P energy: -91.861
bonds (distance) P-C4' energy: -103.075
flat angles C4'-P-C4' energy: -103.985
flat angles P-C4'-P energy: -71.919
tors. eta vs tors. theta energy: -139.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1625.194651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.194651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.194651 (E_RNA)
where:
Base-Base interactions energy: -1155.899
where: short stacking energy: -483.144
Base-Backbone interact. energy: -1.295
local terms energy: -468.000582
where:
bonds (distance) C4'-P energy: -80.504
bonds (distance) P-C4' energy: -100.063
flat angles C4'-P-C4' energy: -91.309
flat angles P-C4'-P energy: -63.109
tors. eta vs tors. theta energy: -133.017
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: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1553.845136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.845136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.845136 (E_RNA)
where:
Base-Base interactions energy: -1074.406
where: short stacking energy: -452.184
Base-Backbone interact. energy: -1.707
local terms energy: -477.732437
where:
bonds (distance) C4'-P energy: -91.088
bonds (distance) P-C4' energy: -90.798
flat angles C4'-P-C4' energy: -97.965
flat angles P-C4'-P energy: -59.946
tors. eta vs tors. theta energy: -137.936
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: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1559.248706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.248706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.248706 (E_RNA)
where:
Base-Base interactions energy: -1107.522
where: short stacking energy: -450.430
Base-Backbone interact. energy: -1.049
local terms energy: -450.678196
where:
bonds (distance) C4'-P energy: -87.019
bonds (distance) P-C4' energy: -80.286
flat angles C4'-P-C4' energy: -97.774
flat angles P-C4'-P energy: -62.191
tors. eta vs tors. theta energy: -123.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1218.054467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.054467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.054467 (E_RNA)
where:
Base-Base interactions energy: -814.445
where: short stacking energy: -351.085
Base-Backbone interact. energy: -2.981
local terms energy: -400.628655
where:
bonds (distance) C4'-P energy: -74.023
bonds (distance) P-C4' energy: -73.521
flat angles C4'-P-C4' energy: -98.579
flat angles P-C4'-P energy: -56.661
tors. eta vs tors. theta energy: -97.844
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: 456
Temperature: 1.300000
Total energy: -1047.882937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.882937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.882937 (E_RNA)
where:
Base-Base interactions energy: -693.079
where: short stacking energy: -316.987
Base-Backbone interact. energy: -0.534
local terms energy: -354.269029
where:
bonds (distance) C4'-P energy: -75.039
bonds (distance) P-C4' energy: -73.656
flat angles C4'-P-C4' energy: -78.838
flat angles P-C4'-P energy: -57.915
tors. eta vs tors. theta energy: -68.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -664.120853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.120853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.120853 (E_RNA)
where:
Base-Base interactions energy: -371.222
where: short stacking energy: -201.374
Base-Backbone interact. energy: -1.342
local terms energy: -291.556885
where:
bonds (distance) C4'-P energy: -71.189
bonds (distance) P-C4' energy: -78.274
flat angles C4'-P-C4' energy: -61.600
flat angles P-C4'-P energy: -53.685
tors. eta vs tors. theta energy: -26.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1844.767466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.767466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.767466 (E_RNA)
where:
Base-Base interactions energy: -1309.160
where: short stacking energy: -531.098
Base-Backbone interact. energy: -0.353
local terms energy: -535.254826
where:
bonds (distance) C4'-P energy: -96.681
bonds (distance) P-C4' energy: -99.244
flat angles C4'-P-C4' energy: -118.600
flat angles P-C4'-P energy: -78.616
tors. eta vs tors. theta energy: -142.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1753.307470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.307470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.307470 (E_RNA)
where:
Base-Base interactions energy: -1273.641
where: short stacking energy: -507.771
Base-Backbone interact. energy: -3.683
local terms energy: -475.983551
where:
bonds (distance) C4'-P energy: -74.352
bonds (distance) P-C4' energy: -86.366
flat angles C4'-P-C4' energy: -106.308
flat angles P-C4'-P energy: -70.591
tors. eta vs tors. theta energy: -138.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1752.863602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.863602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.863602 (E_RNA)
where:
Base-Base interactions energy: -1244.831
where: short stacking energy: -512.930
Base-Backbone interact. energy: -2.656
local terms energy: -505.376952
where:
bonds (distance) C4'-P energy: -83.134
bonds (distance) P-C4' energy: -86.108
flat angles C4'-P-C4' energy: -109.137
flat angles P-C4'-P energy: -70.409
tors. eta vs tors. theta energy: -156.590
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: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1699.915781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.915781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.915781 (E_RNA)
where:
Base-Base interactions energy: -1209.626
where: short stacking energy: -499.467
Base-Backbone interact. energy: 0.059
local terms energy: -490.348362
where:
bonds (distance) C4'-P energy: -92.085
bonds (distance) P-C4' energy: -82.984
flat angles C4'-P-C4' energy: -114.045
flat angles P-C4'-P energy: -65.529
tors. eta vs tors. theta energy: -135.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1623.957782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.957782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.957782 (E_RNA)
where:
Base-Base interactions energy: -1136.664
where: short stacking energy: -471.068
Base-Backbone interact. energy: -0.706
local terms energy: -486.587970
where:
bonds (distance) C4'-P energy: -87.573
bonds (distance) P-C4' energy: -95.069
flat angles C4'-P-C4' energy: -100.679
flat angles P-C4'-P energy: -66.889
tors. eta vs tors. theta energy: -136.378
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: 457
Temperature: 1.150000
Total energy: -1576.366481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.366481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.366481 (E_RNA)
where:
Base-Base interactions energy: -1093.338
where: short stacking energy: -448.645
Base-Backbone interact. energy: -0.758
local terms energy: -482.270683
where:
bonds (distance) C4'-P energy: -95.321
bonds (distance) P-C4' energy: -93.173
flat angles C4'-P-C4' energy: -99.358
flat angles P-C4'-P energy: -62.884
tors. eta vs tors. theta energy: -131.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1536.217488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.217488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.217488 (E_RNA)
where:
Base-Base interactions energy: -1064.994
where: short stacking energy: -438.812
Base-Backbone interact. energy: -1.179
local terms energy: -470.044688
where:
bonds (distance) C4'-P energy: -88.507
bonds (distance) P-C4' energy: -85.821
flat angles C4'-P-C4' energy: -92.284
flat angles P-C4'-P energy: -65.778
tors. eta vs tors. theta energy: -137.655
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: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1199.748483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.748483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.748483 (E_RNA)
where:
Base-Base interactions energy: -785.667
where: short stacking energy: -356.730
Base-Backbone interact. energy: 0.123
local terms energy: -414.204604
where:
bonds (distance) C4'-P energy: -85.113
bonds (distance) P-C4' energy: -90.692
flat angles C4'-P-C4' energy: -94.370
flat angles P-C4'-P energy: -63.647
tors. eta vs tors. theta energy: -80.382
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: 457
Temperature: 1.300000
Total energy: -1020.521442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.521442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.521442 (E_RNA)
where:
Base-Base interactions energy: -671.104
where: short stacking energy: -294.297
Base-Backbone interact. energy: 3.339
local terms energy: -352.756239
where:
bonds (distance) C4'-P energy: -73.948
bonds (distance) P-C4' energy: -84.904
flat angles C4'-P-C4' energy: -71.494
flat angles P-C4'-P energy: -60.330
tors. eta vs tors. theta energy: -62.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -718.441303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.441303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.441303 (E_RNA)
where:
Base-Base interactions energy: -397.734
where: short stacking energy: -196.300
Base-Backbone interact. energy: -1.472
local terms energy: -319.235138
where:
bonds (distance) C4'-P energy: -85.867
bonds (distance) P-C4' energy: -85.099
flat angles C4'-P-C4' energy: -70.186
flat angles P-C4'-P energy: -47.341
tors. eta vs tors. theta energy: -30.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1840.566708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.566708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.566708 (E_RNA)
where:
Base-Base interactions energy: -1304.302
where: short stacking energy: -518.658
Base-Backbone interact. energy: 1.867
local terms energy: -538.131477
where:
bonds (distance) C4'-P energy: -108.337
bonds (distance) P-C4' energy: -99.010
flat angles C4'-P-C4' energy: -105.320
flat angles P-C4'-P energy: -78.147
tors. eta vs tors. theta energy: -147.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1761.570811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.570811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.570811 (E_RNA)
where:
Base-Base interactions energy: -1250.650
where: short stacking energy: -499.395
Base-Backbone interact. energy: -3.430
local terms energy: -507.490621
where:
bonds (distance) C4'-P energy: -102.577
bonds (distance) P-C4' energy: -103.274
flat angles C4'-P-C4' energy: -96.470
flat angles P-C4'-P energy: -70.534
tors. eta vs tors. theta energy: -134.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1759.134103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.134103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.134103 (E_RNA)
where:
Base-Base interactions energy: -1249.480
where: short stacking energy: -526.121
Base-Backbone interact. energy: -1.805
local terms energy: -507.849240
where:
bonds (distance) C4'-P energy: -99.754
bonds (distance) P-C4' energy: -82.001
flat angles C4'-P-C4' energy: -105.924
flat angles P-C4'-P energy: -69.729
tors. eta vs tors. theta energy: -150.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1720.295889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.295889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.295889 (E_RNA)
where:
Base-Base interactions energy: -1244.858
where: short stacking energy: -499.053
Base-Backbone interact. energy: 2.200
local terms energy: -477.637175
where:
bonds (distance) C4'-P energy: -82.867
bonds (distance) P-C4' energy: -85.356
flat angles C4'-P-C4' energy: -104.810
flat angles P-C4'-P energy: -66.271
tors. eta vs tors. theta energy: -138.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1595.748683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.748683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.748683 (E_RNA)
where:
Base-Base interactions energy: -1103.414
where: short stacking energy: -466.792
Base-Backbone interact. energy: -2.321
local terms energy: -490.012749
where:
bonds (distance) C4'-P energy: -90.711
bonds (distance) P-C4' energy: -99.581
flat angles C4'-P-C4' energy: -98.486
flat angles P-C4'-P energy: -62.796
tors. eta vs tors. theta energy: -138.439
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: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1570.946008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.946008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.946008 (E_RNA)
where:
Base-Base interactions energy: -1109.918
where: short stacking energy: -437.753
Base-Backbone interact. energy: -3.042
local terms energy: -457.985343
where:
bonds (distance) C4'-P energy: -70.172
bonds (distance) P-C4' energy: -96.192
flat angles C4'-P-C4' energy: -94.114
flat angles P-C4'-P energy: -68.423
tors. eta vs tors. theta energy: -129.084
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: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1487.738484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.738484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.738484 (E_RNA)
where:
Base-Base interactions energy: -1052.201
where: short stacking energy: -456.833
Base-Backbone interact. energy: 0.200
local terms energy: -435.737906
where:
bonds (distance) C4'-P energy: -85.186
bonds (distance) P-C4' energy: -89.407
flat angles C4'-P-C4' energy: -97.080
flat angles P-C4'-P energy: -48.302
tors. eta vs tors. theta energy: -115.763
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: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1178.653109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.653109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.653109 (E_RNA)
where:
Base-Base interactions energy: -775.495
where: short stacking energy: -356.898
Base-Backbone interact. energy: 1.300
local terms energy: -404.457740
where:
bonds (distance) C4'-P energy: -89.351
bonds (distance) P-C4' energy: -85.426
flat angles C4'-P-C4' energy: -100.544
flat angles P-C4'-P energy: -47.298
tors. eta vs tors. theta energy: -81.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -930.133083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.133083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.133083 (E_RNA)
where:
Base-Base interactions energy: -602.424
where: short stacking energy: -267.011
Base-Backbone interact. energy: -2.864
local terms energy: -324.845412
where:
bonds (distance) C4'-P energy: -74.168
bonds (distance) P-C4' energy: -74.198
flat angles C4'-P-C4' energy: -84.972
flat angles P-C4'-P energy: -44.659
tors. eta vs tors. theta energy: -46.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -734.380326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.380326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.380326 (E_RNA)
where:
Base-Base interactions energy: -430.282
where: short stacking energy: -220.518
Base-Backbone interact. energy: -1.480
local terms energy: -302.618571
where:
bonds (distance) C4'-P energy: -64.435
bonds (distance) P-C4' energy: -87.003
flat angles C4'-P-C4' energy: -74.384
flat angles P-C4'-P energy: -41.130
tors. eta vs tors. theta energy: -35.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1845.977281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.977281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.977281 (E_RNA)
where:
Base-Base interactions energy: -1313.018
where: short stacking energy: -529.296
Base-Backbone interact. energy: -1.995
local terms energy: -530.964069
where:
bonds (distance) C4'-P energy: -104.559
bonds (distance) P-C4' energy: -95.432
flat angles C4'-P-C4' energy: -101.336
flat angles P-C4'-P energy: -75.332
tors. eta vs tors. theta energy: -154.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1779.758671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.758671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.758671 (E_RNA)
where:
Base-Base interactions energy: -1236.606
where: short stacking energy: -514.796
Base-Backbone interact. energy: -0.444
local terms energy: -542.709183
where:
bonds (distance) C4'-P energy: -97.740
bonds (distance) P-C4' energy: -99.042
flat angles C4'-P-C4' energy: -116.024
flat angles P-C4'-P energy: -78.786
tors. eta vs tors. theta energy: -151.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1730.582172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.582172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.582172 (E_RNA)
where:
Base-Base interactions energy: -1226.268
where: short stacking energy: -501.701
Base-Backbone interact. energy: -1.582
local terms energy: -502.731641
where:
bonds (distance) C4'-P energy: -93.644
bonds (distance) P-C4' energy: -80.367
flat angles C4'-P-C4' energy: -118.429
flat angles P-C4'-P energy: -75.397
tors. eta vs tors. theta energy: -134.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1709.712630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.712630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.712630 (E_RNA)
where:
Base-Base interactions energy: -1229.682
where: short stacking energy: -505.684
Base-Backbone interact. energy: 1.766
local terms energy: -481.796717
where:
bonds (distance) C4'-P energy: -89.221
bonds (distance) P-C4' energy: -94.356
flat angles C4'-P-C4' energy: -98.611
flat angles P-C4'-P energy: -62.103
tors. eta vs tors. theta energy: -137.506
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: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1619.372005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.372005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.372005 (E_RNA)
where:
Base-Base interactions energy: -1139.127
where: short stacking energy: -473.709
Base-Backbone interact. energy: -1.884
local terms energy: -478.361753
where:
bonds (distance) C4'-P energy: -85.553
bonds (distance) P-C4' energy: -89.074
flat angles C4'-P-C4' energy: -101.889
flat angles P-C4'-P energy: -76.462
tors. eta vs tors. theta energy: -125.383
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: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1592.453795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.453795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.453795 (E_RNA)
where:
Base-Base interactions energy: -1138.728
where: short stacking energy: -471.700
Base-Backbone interact. energy: -0.837
local terms energy: -452.888660
where:
bonds (distance) C4'-P energy: -71.711
bonds (distance) P-C4' energy: -89.913
flat angles C4'-P-C4' energy: -95.187
flat angles P-C4'-P energy: -73.988
tors. eta vs tors. theta energy: -122.090
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: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1483.891134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.891134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.891134 (E_RNA)
where:
Base-Base interactions energy: -1024.180
where: short stacking energy: -437.884
Base-Backbone interact. energy: -0.861
local terms energy: -458.849794
where:
bonds (distance) C4'-P energy: -80.664
bonds (distance) P-C4' energy: -96.559
flat angles C4'-P-C4' energy: -101.042
flat angles P-C4'-P energy: -52.030
tors. eta vs tors. theta energy: -128.555
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: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1120.667000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.667000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.667000 (E_RNA)
where:
Base-Base interactions energy: -738.384
where: short stacking energy: -330.289
Base-Backbone interact. energy: -1.041
local terms energy: -381.242883
where:
bonds (distance) C4'-P energy: -71.896
bonds (distance) P-C4' energy: -77.651
flat angles C4'-P-C4' energy: -97.268
flat angles P-C4'-P energy: -58.296
tors. eta vs tors. theta energy: -76.132
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: 459
Temperature: 1.300000
Total energy: -959.440817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.440817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.440817 (E_RNA)
where:
Base-Base interactions energy: -615.721
where: short stacking energy: -263.154
Base-Backbone interact. energy: 3.704
local terms energy: -347.424446
where:
bonds (distance) C4'-P energy: -74.560
bonds (distance) P-C4' energy: -98.745
flat angles C4'-P-C4' energy: -77.274
flat angles P-C4'-P energy: -49.469
tors. eta vs tors. theta energy: -47.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -650.871006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.871006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.871006 (E_RNA)
where:
Base-Base interactions energy: -362.471
where: short stacking energy: -178.535
Base-Backbone interact. energy: -0.158
local terms energy: -288.242885
where:
bonds (distance) C4'-P energy: -80.275
bonds (distance) P-C4' energy: -86.273
flat angles C4'-P-C4' energy: -74.208
flat angles P-C4'-P energy: -37.999
tors. eta vs tors. theta energy: -9.489
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: 1, replica: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1818.232396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.232396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.232396 (E_RNA)
where:
Base-Base interactions energy: -1282.849
where: short stacking energy: -546.988
Base-Backbone interact. energy: -1.213
local terms energy: -534.170769
where:
bonds (distance) C4'-P energy: -92.470
bonds (distance) P-C4' energy: -108.574
flat angles C4'-P-C4' energy: -110.624
flat angles P-C4'-P energy: -70.519
tors. eta vs tors. theta energy: -151.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1770.486619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.486619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.486619 (E_RNA)
where:
Base-Base interactions energy: -1258.672
where: short stacking energy: -518.656
Base-Backbone interact. energy: 1.910
local terms energy: -513.724822
where:
bonds (distance) C4'-P energy: -99.316
bonds (distance) P-C4' energy: -84.568
flat angles C4'-P-C4' energy: -114.625
flat angles P-C4'-P energy: -74.866
tors. eta vs tors. theta energy: -140.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1710.850361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.850361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.850361 (E_RNA)
where:
Base-Base interactions energy: -1202.872
where: short stacking energy: -496.003
Base-Backbone interact. energy: -1.984
local terms energy: -505.994234
where:
bonds (distance) C4'-P energy: -87.789
bonds (distance) P-C4' energy: -82.356
flat angles C4'-P-C4' energy: -105.589
flat angles P-C4'-P energy: -73.643
tors. eta vs tors. theta energy: -156.617
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: 460
Temperature: 1.050000
Total energy: -1675.299084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.299084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.299084 (E_RNA)
where:
Base-Base interactions energy: -1188.517
where: short stacking energy: -488.967
Base-Backbone interact. energy: -1.353
local terms energy: -485.429156
where:
bonds (distance) C4'-P energy: -85.996
bonds (distance) P-C4' energy: -90.231
flat angles C4'-P-C4' energy: -94.545
flat angles P-C4'-P energy: -74.842
tors. eta vs tors. theta energy: -139.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1628.918602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.918602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.918602 (E_RNA)
where:
Base-Base interactions energy: -1165.121
where: short stacking energy: -467.354
Base-Backbone interact. energy: -1.396
local terms energy: -462.400915
where:
bonds (distance) C4'-P energy: -75.020
bonds (distance) P-C4' energy: -77.515
flat angles C4'-P-C4' energy: -104.556
flat angles P-C4'-P energy: -72.573
tors. eta vs tors. theta energy: -132.737
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: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1592.745749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.745749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.745749 (E_RNA)
where:
Base-Base interactions energy: -1123.617
where: short stacking energy: -454.466
Base-Backbone interact. energy: -2.340
local terms energy: -466.789251
where:
bonds (distance) C4'-P energy: -90.249
bonds (distance) P-C4' energy: -92.128
flat angles C4'-P-C4' energy: -99.922
flat angles P-C4'-P energy: -68.220
tors. eta vs tors. theta energy: -116.271
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: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1434.346415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.346415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.346415 (E_RNA)
where:
Base-Base interactions energy: -991.402
where: short stacking energy: -399.782
Base-Backbone interact. energy: -1.145
local terms energy: -441.799590
where:
bonds (distance) C4'-P energy: -87.007
bonds (distance) P-C4' energy: -95.933
flat angles C4'-P-C4' energy: -81.756
flat angles P-C4'-P energy: -62.111
tors. eta vs tors. theta energy: -114.992
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: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1098.174866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.174866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.174866 (E_RNA)
where:
Base-Base interactions energy: -734.056
where: short stacking energy: -318.738
Base-Backbone interact. energy: -1.665
local terms energy: -362.454360
where:
bonds (distance) C4'-P energy: -81.660
bonds (distance) P-C4' energy: -85.084
flat angles C4'-P-C4' energy: -69.070
flat angles P-C4'-P energy: -59.128
tors. eta vs tors. theta energy: -67.513
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: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -969.922953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.922953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.922953 (E_RNA)
where:
Base-Base interactions energy: -612.244
where: short stacking energy: -263.830
Base-Backbone interact. energy: -1.917
local terms energy: -355.762347
where:
bonds (distance) C4'-P energy: -87.732
bonds (distance) P-C4' energy: -77.219
flat angles C4'-P-C4' energy: -84.078
flat angles P-C4'-P energy: -51.292
tors. eta vs tors. theta energy: -55.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -636.762883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.762883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.762883 (E_RNA)
where:
Base-Base interactions energy: -347.016
where: short stacking energy: -184.278
Base-Backbone interact. energy: -0.850
local terms energy: -288.897538
where:
bonds (distance) C4'-P energy: -76.115
bonds (distance) P-C4' energy: -77.135
flat angles C4'-P-C4' energy: -81.585
flat angles P-C4'-P energy: -48.757
tors. eta vs tors. theta energy: -5.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1826.600843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.600843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.600843 (E_RNA)
where:
Base-Base interactions energy: -1266.002
where: short stacking energy: -540.683
Base-Backbone interact. energy: -0.036
local terms energy: -560.562418
where:
bonds (distance) C4'-P energy: -104.920
bonds (distance) P-C4' energy: -106.686
flat angles C4'-P-C4' energy: -118.638
flat angles P-C4'-P energy: -80.655
tors. eta vs tors. theta energy: -149.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1810.750876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.750876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.750876 (E_RNA)
where:
Base-Base interactions energy: -1292.789
where: short stacking energy: -515.431
Base-Backbone interact. energy: -2.705
local terms energy: -515.256435
where:
bonds (distance) C4'-P energy: -91.976
bonds (distance) P-C4' energy: -94.113
flat angles C4'-P-C4' energy: -107.733
flat angles P-C4'-P energy: -79.413
tors. eta vs tors. theta energy: -142.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1701.488462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.488462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.488462 (E_RNA)
where:
Base-Base interactions energy: -1191.399
where: short stacking energy: -502.917
Base-Backbone interact. energy: -1.161
local terms energy: -508.928502
where:
bonds (distance) C4'-P energy: -91.369
bonds (distance) P-C4' energy: -97.834
flat angles C4'-P-C4' energy: -100.653
flat angles P-C4'-P energy: -77.053
tors. eta vs tors. theta energy: -142.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1671.057975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.057975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.057975 (E_RNA)
where:
Base-Base interactions energy: -1159.593
where: short stacking energy: -516.422
Base-Backbone interact. energy: -0.217
local terms energy: -511.247828
where:
bonds (distance) C4'-P energy: -90.150
bonds (distance) P-C4' energy: -84.040
flat angles C4'-P-C4' energy: -118.209
flat angles P-C4'-P energy: -74.942
tors. eta vs tors. theta energy: -143.905
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: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1632.815219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.815219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.815219 (E_RNA)
where:
Base-Base interactions energy: -1144.203
where: short stacking energy: -458.027
Base-Backbone interact. energy: -2.024
local terms energy: -486.588457
where:
bonds (distance) C4'-P energy: -92.455
bonds (distance) P-C4' energy: -91.250
flat angles C4'-P-C4' energy: -104.963
flat angles P-C4'-P energy: -68.573
tors. eta vs tors. theta energy: -129.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1618.565531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.565531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.565531 (E_RNA)
where:
Base-Base interactions energy: -1138.726
where: short stacking energy: -471.883
Base-Backbone interact. energy: -1.731
local terms energy: -478.109188
where:
bonds (distance) C4'-P energy: -85.071
bonds (distance) P-C4' energy: -82.947
flat angles C4'-P-C4' energy: -106.766
flat angles P-C4'-P energy: -81.705
tors. eta vs tors. theta energy: -121.620
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: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1456.318045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.318045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.318045 (E_RNA)
where:
Base-Base interactions energy: -1018.267
where: short stacking energy: -436.446
Base-Backbone interact. energy: 0.861
local terms energy: -438.912044
where:
bonds (distance) C4'-P energy: -69.010
bonds (distance) P-C4' energy: -88.541
flat angles C4'-P-C4' energy: -89.440
flat angles P-C4'-P energy: -60.570
tors. eta vs tors. theta energy: -131.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1202.373137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.373137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.373137 (E_RNA)
where:
Base-Base interactions energy: -816.950
where: short stacking energy: -362.080
Base-Backbone interact. energy: -1.209
local terms energy: -384.214087
where:
bonds (distance) C4'-P energy: -64.570
bonds (distance) P-C4' energy: -76.712
flat angles C4'-P-C4' energy: -90.237
flat angles P-C4'-P energy: -63.748
tors. eta vs tors. theta energy: -88.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -992.463839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.463839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.463839 (E_RNA)
where:
Base-Base interactions energy: -637.190
where: short stacking energy: -298.595
Base-Backbone interact. energy: -0.437
local terms energy: -354.836648
where:
bonds (distance) C4'-P energy: -83.185
bonds (distance) P-C4' energy: -76.288
flat angles C4'-P-C4' energy: -79.410
flat angles P-C4'-P energy: -58.190
tors. eta vs tors. theta energy: -57.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -669.396467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.396467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.396467 (E_RNA)
where:
Base-Base interactions energy: -385.832
where: short stacking energy: -191.386
Base-Backbone interact. energy: -0.238
local terms energy: -283.325491
where:
bonds (distance) C4'-P energy: -67.535
bonds (distance) P-C4' energy: -66.622
flat angles C4'-P-C4' energy: -87.358
flat angles P-C4'-P energy: -49.085
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1797.744789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.744789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.744789 (E_RNA)
where:
Base-Base interactions energy: -1268.264
where: short stacking energy: -515.501
Base-Backbone interact. energy: -1.715
local terms energy: -527.765625
where:
bonds (distance) C4'-P energy: -97.390
bonds (distance) P-C4' energy: -103.452
flat angles C4'-P-C4' energy: -105.219
flat angles P-C4'-P energy: -76.575
tors. eta vs tors. theta energy: -145.129
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: 2, replica: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1788.131768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.131768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.131768 (E_RNA)
where:
Base-Base interactions energy: -1263.114
where: short stacking energy: -531.300
Base-Backbone interact. energy: -1.913
local terms energy: -523.104835
where:
bonds (distance) C4'-P energy: -95.477
bonds (distance) P-C4' energy: -84.821
flat angles C4'-P-C4' energy: -114.642
flat angles P-C4'-P energy: -71.093
tors. eta vs tors. theta energy: -157.072
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: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1737.004550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.004550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.004550 (E_RNA)
where:
Base-Base interactions energy: -1203.932
where: short stacking energy: -527.804
Base-Backbone interact. energy: -1.521
local terms energy: -531.551559
where:
bonds (distance) C4'-P energy: -93.599
bonds (distance) P-C4' energy: -97.365
flat angles C4'-P-C4' energy: -115.709
flat angles P-C4'-P energy: -76.163
tors. eta vs tors. theta energy: -148.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1659.800865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.800865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.800865 (E_RNA)
where:
Base-Base interactions energy: -1150.761
where: short stacking energy: -487.674
Base-Backbone interact. energy: -1.427
local terms energy: -507.612178
where:
bonds (distance) C4'-P energy: -94.877
bonds (distance) P-C4' energy: -91.922
flat angles C4'-P-C4' energy: -101.946
flat angles P-C4'-P energy: -77.655
tors. eta vs tors. theta energy: -141.212
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: 5, replica: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1630.865845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.865845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.865845 (E_RNA)
where:
Base-Base interactions energy: -1143.568
where: short stacking energy: -481.498
Base-Backbone interact. energy: -0.282
local terms energy: -487.016123
where:
bonds (distance) C4'-P energy: -87.107
bonds (distance) P-C4' energy: -91.516
flat angles C4'-P-C4' energy: -112.932
flat angles P-C4'-P energy: -63.714
tors. eta vs tors. theta energy: -131.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1617.673444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.673444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.673444 (E_RNA)
where:
Base-Base interactions energy: -1155.003
where: short stacking energy: -447.364
Base-Backbone interact. energy: 2.236
local terms energy: -464.905812
where:
bonds (distance) C4'-P energy: -79.499
bonds (distance) P-C4' energy: -93.476
flat angles C4'-P-C4' energy: -105.350
flat angles P-C4'-P energy: -60.473
tors. eta vs tors. theta energy: -126.108
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: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1455.403359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.403359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.403359 (E_RNA)
where:
Base-Base interactions energy: -1011.265
where: short stacking energy: -425.183
Base-Backbone interact. energy: -1.465
local terms energy: -442.673419
where:
bonds (distance) C4'-P energy: -74.345
bonds (distance) P-C4' energy: -86.885
flat angles C4'-P-C4' energy: -99.994
flat angles P-C4'-P energy: -62.619
tors. eta vs tors. theta energy: -118.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1234.217041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.217041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.217041 (E_RNA)
where:
Base-Base interactions energy: -824.856
where: short stacking energy: -355.978
Base-Backbone interact. energy: -1.219
local terms energy: -408.142766
where:
bonds (distance) C4'-P energy: -84.603
bonds (distance) P-C4' energy: -85.279
flat angles C4'-P-C4' energy: -91.012
flat angles P-C4'-P energy: -49.383
tors. eta vs tors. theta energy: -97.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -959.342137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.342137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.342137 (E_RNA)
where:
Base-Base interactions energy: -598.791
where: short stacking energy: -268.538
Base-Backbone interact. energy: 2.387
local terms energy: -362.938082
where:
bonds (distance) C4'-P energy: -89.758
bonds (distance) P-C4' energy: -89.849
flat angles C4'-P-C4' energy: -86.355
flat angles P-C4'-P energy: -51.305
tors. eta vs tors. theta energy: -45.671
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: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -693.847111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.847111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.847111 (E_RNA)
where:
Base-Base interactions energy: -440.444
where: short stacking energy: -209.516
Base-Backbone interact. energy: 2.752
local terms energy: -256.154602
where:
bonds (distance) C4'-P energy: -47.334
bonds (distance) P-C4' energy: -66.230
flat angles C4'-P-C4' energy: -62.095
flat angles P-C4'-P energy: -56.681
tors. eta vs tors. theta energy: -23.814
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: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1821.483014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.483014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.483014 (E_RNA)
where:
Base-Base interactions energy: -1287.232
where: short stacking energy: -531.490
Base-Backbone interact. energy: 0.213
local terms energy: -534.463561
where:
bonds (distance) C4'-P energy: -90.992
bonds (distance) P-C4' energy: -105.643
flat angles C4'-P-C4' energy: -103.200
flat angles P-C4'-P energy: -81.571
tors. eta vs tors. theta energy: -153.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1790.632205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.632205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.632205 (E_RNA)
where:
Base-Base interactions energy: -1256.842
where: short stacking energy: -526.641
Base-Backbone interact. energy: -1.450
local terms energy: -532.339970
where:
bonds (distance) C4'-P energy: -90.285
bonds (distance) P-C4' energy: -96.368
flat angles C4'-P-C4' energy: -112.098
flat angles P-C4'-P energy: -81.564
tors. eta vs tors. theta energy: -152.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1727.500963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.500963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.500963 (E_RNA)
where:
Base-Base interactions energy: -1194.532
where: short stacking energy: -512.291
Base-Backbone interact. energy: -1.041
local terms energy: -531.928411
where:
bonds (distance) C4'-P energy: -98.762
bonds (distance) P-C4' energy: -106.215
flat angles C4'-P-C4' energy: -107.304
flat angles P-C4'-P energy: -71.649
tors. eta vs tors. theta energy: -147.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1670.162312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.162312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.162312 (E_RNA)
where:
Base-Base interactions energy: -1170.572
where: short stacking energy: -490.285
Base-Backbone interact. energy: -2.617
local terms energy: -496.973162
where:
bonds (distance) C4'-P energy: -87.682
bonds (distance) P-C4' energy: -93.135
flat angles C4'-P-C4' energy: -106.829
flat angles P-C4'-P energy: -69.732
tors. eta vs tors. theta energy: -139.596
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: 463
Temperature: 1.100000
Total energy: -1650.888221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.888221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.888221 (E_RNA)
where:
Base-Base interactions energy: -1180.462
where: short stacking energy: -468.205
Base-Backbone interact. energy: -0.798
local terms energy: -469.628021
where:
bonds (distance) C4'-P energy: -88.617
bonds (distance) P-C4' energy: -83.353
flat angles C4'-P-C4' energy: -102.463
flat angles P-C4'-P energy: -76.431
tors. eta vs tors. theta energy: -118.764
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: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1609.684529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.684529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.684529 (E_RNA)
where:
Base-Base interactions energy: -1166.625
where: short stacking energy: -457.653
Base-Backbone interact. energy: 5.335
local terms energy: -448.394447
where:
bonds (distance) C4'-P energy: -68.739
bonds (distance) P-C4' energy: -74.944
flat angles C4'-P-C4' energy: -109.796
flat angles P-C4'-P energy: -68.357
tors. eta vs tors. theta energy: -126.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1455.908525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.908525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.908525 (E_RNA)
where:
Base-Base interactions energy: -1001.135
where: short stacking energy: -403.787
Base-Backbone interact. energy: 2.040
local terms energy: -456.813512
where:
bonds (distance) C4'-P energy: -77.726
bonds (distance) P-C4' energy: -93.507
flat angles C4'-P-C4' energy: -104.529
flat angles P-C4'-P energy: -61.839
tors. eta vs tors. theta energy: -119.211
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: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1293.444253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.444253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.444253 (E_RNA)
where:
Base-Base interactions energy: -893.427
where: short stacking energy: -374.997
Base-Backbone interact. energy: -0.783
local terms energy: -399.234184
where:
bonds (distance) C4'-P energy: -86.177
bonds (distance) P-C4' energy: -73.349
flat angles C4'-P-C4' energy: -79.316
flat angles P-C4'-P energy: -69.283
tors. eta vs tors. theta energy: -91.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -952.172087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.172087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.172087 (E_RNA)
where:
Base-Base interactions energy: -624.783
where: short stacking energy: -268.122
Base-Backbone interact. energy: 7.577
local terms energy: -334.965745
where:
bonds (distance) C4'-P energy: -81.549
bonds (distance) P-C4' energy: -75.871
flat angles C4'-P-C4' energy: -69.132
flat angles P-C4'-P energy: -45.096
tors. eta vs tors. theta energy: -63.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -737.394280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.394280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.394280 (E_RNA)
where:
Base-Base interactions energy: -423.620
where: short stacking energy: -211.104
Base-Backbone interact. energy: -0.011
local terms energy: -313.763186
where:
bonds (distance) C4'-P energy: -69.396
bonds (distance) P-C4' energy: -94.949
flat angles C4'-P-C4' energy: -75.617
flat angles P-C4'-P energy: -43.272
tors. eta vs tors. theta energy: -30.529
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: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1818.614319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.614319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.614319 (E_RNA)
where:
Base-Base interactions energy: -1271.062
where: short stacking energy: -536.119
Base-Backbone interact. energy: 1.616
local terms energy: -549.168475
where:
bonds (distance) C4'-P energy: -105.314
bonds (distance) P-C4' energy: -95.589
flat angles C4'-P-C4' energy: -122.253
flat angles P-C4'-P energy: -71.889
tors. eta vs tors. theta energy: -154.124
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: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1811.619645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.619645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.619645 (E_RNA)
where:
Base-Base interactions energy: -1254.224
where: short stacking energy: -525.441
Base-Backbone interact. energy: -1.808
local terms energy: -555.587781
where:
bonds (distance) C4'-P energy: -102.662
bonds (distance) P-C4' energy: -102.078
flat angles C4'-P-C4' energy: -114.026
flat angles P-C4'-P energy: -80.502
tors. eta vs tors. theta energy: -156.320
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: 464
Temperature: 1.000000
Total energy: -1740.477296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.477296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.477296 (E_RNA)
where:
Base-Base interactions energy: -1215.497
where: short stacking energy: -529.367
Base-Backbone interact. energy: -0.837
local terms energy: -524.142684
where:
bonds (distance) C4'-P energy: -94.740
bonds (distance) P-C4' energy: -89.698
flat angles C4'-P-C4' energy: -117.093
flat angles P-C4'-P energy: -67.064
tors. eta vs tors. theta energy: -155.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1677.162361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.162361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.162361 (E_RNA)
where:
Base-Base interactions energy: -1185.543
where: short stacking energy: -476.319
Base-Backbone interact. energy: -0.127
local terms energy: -491.492272
where:
bonds (distance) C4'-P energy: -88.445
bonds (distance) P-C4' energy: -80.981
flat angles C4'-P-C4' energy: -102.690
flat angles P-C4'-P energy: -76.136
tors. eta vs tors. theta energy: -143.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1625.929521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.929521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.929521 (E_RNA)
where:
Base-Base interactions energy: -1148.316
where: short stacking energy: -466.976
Base-Backbone interact. energy: -1.892
local terms energy: -475.721445
where:
bonds (distance) C4'-P energy: -87.945
bonds (distance) P-C4' energy: -80.340
flat angles C4'-P-C4' energy: -102.421
flat angles P-C4'-P energy: -72.303
tors. eta vs tors. theta energy: -132.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1611.187831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.187831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.187831 (E_RNA)
where:
Base-Base interactions energy: -1142.374
where: short stacking energy: -465.513
Base-Backbone interact. energy: -3.096
local terms energy: -465.717881
where:
bonds (distance) C4'-P energy: -82.046
bonds (distance) P-C4' energy: -75.085
flat angles C4'-P-C4' energy: -102.178
flat angles P-C4'-P energy: -70.840
tors. eta vs tors. theta energy: -135.570
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: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1414.278835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.278835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.278835 (E_RNA)
where:
Base-Base interactions energy: -972.410
where: short stacking energy: -431.257
Base-Backbone interact. energy: -2.259
local terms energy: -439.610411
where:
bonds (distance) C4'-P energy: -72.890
bonds (distance) P-C4' energy: -95.346
flat angles C4'-P-C4' energy: -92.421
flat angles P-C4'-P energy: -57.283
tors. eta vs tors. theta energy: -121.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1265.624572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.624572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.624572 (E_RNA)
where:
Base-Base interactions energy: -876.716
where: short stacking energy: -384.729
Base-Backbone interact. energy: -1.707
local terms energy: -387.201190
where:
bonds (distance) C4'-P energy: -71.466
bonds (distance) P-C4' energy: -72.445
flat angles C4'-P-C4' energy: -76.177
flat angles P-C4'-P energy: -59.813
tors. eta vs tors. theta energy: -107.300
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: 464
Temperature: 1.300000
Total energy: -989.068964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.068964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.068964 (E_RNA)
where:
Base-Base interactions energy: -641.125
where: short stacking energy: -299.465
Base-Backbone interact. energy: 1.730
local terms energy: -349.673796
where:
bonds (distance) C4'-P energy: -70.078
bonds (distance) P-C4' energy: -92.193
flat angles C4'-P-C4' energy: -63.375
flat angles P-C4'-P energy: -54.558
tors. eta vs tors. theta energy: -69.470
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: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -725.849233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.849233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.849233 (E_RNA)
where:
Base-Base interactions energy: -420.214
where: short stacking energy: -203.919
Base-Backbone interact. energy: 5.535
local terms energy: -311.171012
where:
bonds (distance) C4'-P energy: -80.967
bonds (distance) P-C4' energy: -85.938
flat angles C4'-P-C4' energy: -70.457
flat angles P-C4'-P energy: -49.287
tors. eta vs tors. theta energy: -24.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1833.691562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.691562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.691562 (E_RNA)
where:
Base-Base interactions energy: -1296.408
where: short stacking energy: -529.769
Base-Backbone interact. energy: 0.916
local terms energy: -538.200204
where:
bonds (distance) C4'-P energy: -94.165
bonds (distance) P-C4' energy: -92.489
flat angles C4'-P-C4' energy: -112.869
flat angles P-C4'-P energy: -83.368
tors. eta vs tors. theta energy: -155.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1785.171729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.171729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.171729 (E_RNA)
where:
Base-Base interactions energy: -1243.028
where: short stacking energy: -520.208
Base-Backbone interact. energy: -2.266
local terms energy: -539.878098
where:
bonds (distance) C4'-P energy: -101.440
bonds (distance) P-C4' energy: -101.521
flat angles C4'-P-C4' energy: -113.750
flat angles P-C4'-P energy: -74.073
tors. eta vs tors. theta energy: -149.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1726.000262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.000262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.000262 (E_RNA)
where:
Base-Base interactions energy: -1214.881
where: short stacking energy: -516.956
Base-Backbone interact. energy: -0.571
local terms energy: -510.547942
where:
bonds (distance) C4'-P energy: -82.202
bonds (distance) P-C4' energy: -91.400
flat angles C4'-P-C4' energy: -106.496
flat angles P-C4'-P energy: -78.798
tors. eta vs tors. theta energy: -151.652
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: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1701.066718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.066718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.066718 (E_RNA)
where:
Base-Base interactions energy: -1190.082
where: short stacking energy: -470.590
Base-Backbone interact. energy: -4.374
local terms energy: -506.610989
where:
bonds (distance) C4'-P energy: -83.940
bonds (distance) P-C4' energy: -102.720
flat angles C4'-P-C4' energy: -106.351
flat angles P-C4'-P energy: -74.505
tors. eta vs tors. theta energy: -139.095
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: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1620.371640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.371640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.371640 (E_RNA)
where:
Base-Base interactions energy: -1129.029
where: short stacking energy: -455.396
Base-Backbone interact. energy: -2.901
local terms energy: -488.442438
where:
bonds (distance) C4'-P energy: -94.659
bonds (distance) P-C4' energy: -87.451
flat angles C4'-P-C4' energy: -108.528
flat angles P-C4'-P energy: -68.921
tors. eta vs tors. theta energy: -128.884
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: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1597.942615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.942615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.942615 (E_RNA)
where:
Base-Base interactions energy: -1119.915
where: short stacking energy: -441.069
Base-Backbone interact. energy: -3.639
local terms energy: -474.388543
where:
bonds (distance) C4'-P energy: -87.966
bonds (distance) P-C4' energy: -87.641
flat angles C4'-P-C4' energy: -105.209
flat angles P-C4'-P energy: -66.935
tors. eta vs tors. theta energy: -126.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1449.398998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.398998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.398998 (E_RNA)
where:
Base-Base interactions energy: -1014.776
where: short stacking energy: -418.945
Base-Backbone interact. energy: -1.780
local terms energy: -432.842543
where:
bonds (distance) C4'-P energy: -84.880
bonds (distance) P-C4' energy: -77.192
flat angles C4'-P-C4' energy: -100.638
flat angles P-C4'-P energy: -54.263
tors. eta vs tors. theta energy: -115.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1239.582275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.582275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.582275 (E_RNA)
where:
Base-Base interactions energy: -825.080
where: short stacking energy: -345.194
Base-Backbone interact. energy: 3.856
local terms energy: -418.357787
where:
bonds (distance) C4'-P energy: -82.475
bonds (distance) P-C4' energy: -96.453
flat angles C4'-P-C4' energy: -98.234
flat angles P-C4'-P energy: -56.002
tors. eta vs tors. theta energy: -85.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -991.627223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.627223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.627223 (E_RNA)
where:
Base-Base interactions energy: -656.215
where: short stacking energy: -294.855
Base-Backbone interact. energy: -0.564
local terms energy: -334.847764
where:
bonds (distance) C4'-P energy: -68.022
bonds (distance) P-C4' energy: -72.234
flat angles C4'-P-C4' energy: -69.621
flat angles P-C4'-P energy: -54.835
tors. eta vs tors. theta energy: -70.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -701.482183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.482183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.482183 (E_RNA)
where:
Base-Base interactions energy: -418.307
where: short stacking energy: -187.011
Base-Backbone interact. energy: 1.248
local terms energy: -284.423830
where:
bonds (distance) C4'-P energy: -86.305
bonds (distance) P-C4' energy: -74.382
flat angles C4'-P-C4' energy: -75.909
flat angles P-C4'-P energy: -34.432
tors. eta vs tors. theta energy: -13.395
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: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1832.697967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.697967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.697967 (E_RNA)
where:
Base-Base interactions energy: -1263.593
where: short stacking energy: -539.841
Base-Backbone interact. energy: -1.450
local terms energy: -567.655488
where:
bonds (distance) C4'-P energy: -100.652
bonds (distance) P-C4' energy: -103.945
flat angles C4'-P-C4' energy: -122.478
flat angles P-C4'-P energy: -78.422
tors. eta vs tors. theta energy: -162.159
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: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1824.128354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.128354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.128354 (E_RNA)
where:
Base-Base interactions energy: -1260.523
where: short stacking energy: -516.100
Base-Backbone interact. energy: -2.497
local terms energy: -561.108289
where:
bonds (distance) C4'-P energy: -113.215
bonds (distance) P-C4' energy: -102.514
flat angles C4'-P-C4' energy: -117.422
flat angles P-C4'-P energy: -77.888
tors. eta vs tors. theta energy: -150.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1707.716663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.716663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.716663 (E_RNA)
where:
Base-Base interactions energy: -1200.428
where: short stacking energy: -516.503
Base-Backbone interact. energy: 1.455
local terms energy: -508.744427
where:
bonds (distance) C4'-P energy: -88.797
bonds (distance) P-C4' energy: -94.646
flat angles C4'-P-C4' energy: -103.923
flat angles P-C4'-P energy: -70.371
tors. eta vs tors. theta energy: -151.007
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: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1705.322382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.322382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.322382 (E_RNA)
where:
Base-Base interactions energy: -1195.377
where: short stacking energy: -504.847
Base-Backbone interact. energy: 0.121
local terms energy: -510.066118
where:
bonds (distance) C4'-P energy: -91.052
bonds (distance) P-C4' energy: -93.880
flat angles C4'-P-C4' energy: -107.999
flat angles P-C4'-P energy: -72.046
tors. eta vs tors. theta energy: -145.089
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: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1635.109528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.109528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.109528 (E_RNA)
where:
Base-Base interactions energy: -1161.290
where: short stacking energy: -458.054
Base-Backbone interact. energy: 0.029
local terms energy: -473.848518
where:
bonds (distance) C4'-P energy: -93.043
bonds (distance) P-C4' energy: -86.280
flat angles C4'-P-C4' energy: -96.970
flat angles P-C4'-P energy: -66.677
tors. eta vs tors. theta energy: -130.879
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: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1594.435176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.435176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.435176 (E_RNA)
where:
Base-Base interactions energy: -1126.169
where: short stacking energy: -472.241
Base-Backbone interact. energy: -1.761
local terms energy: -466.504635
where:
bonds (distance) C4'-P energy: -83.807
bonds (distance) P-C4' energy: -90.770
flat angles C4'-P-C4' energy: -103.034
flat angles P-C4'-P energy: -60.366
tors. eta vs tors. theta energy: -128.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1426.115143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.115143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.115143 (E_RNA)
where:
Base-Base interactions energy: -998.193
where: short stacking energy: -436.002
Base-Backbone interact. energy: 0.142
local terms energy: -428.063786
where:
bonds (distance) C4'-P energy: -81.611
bonds (distance) P-C4' energy: -89.035
flat angles C4'-P-C4' energy: -94.863
flat angles P-C4'-P energy: -52.414
tors. eta vs tors. theta energy: -110.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1215.100924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.100924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.100924 (E_RNA)
where:
Base-Base interactions energy: -803.421
where: short stacking energy: -329.548
Base-Backbone interact. energy: -2.975
local terms energy: -408.705348
where:
bonds (distance) C4'-P energy: -86.237
bonds (distance) P-C4' energy: -96.282
flat angles C4'-P-C4' energy: -76.379
flat angles P-C4'-P energy: -66.443
tors. eta vs tors. theta energy: -83.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -973.470534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.470534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.470534 (E_RNA)
where:
Base-Base interactions energy: -603.355
where: short stacking energy: -280.044
Base-Backbone interact. energy: -0.047
local terms energy: -370.069176
where:
bonds (distance) C4'-P energy: -68.296
bonds (distance) P-C4' energy: -92.408
flat angles C4'-P-C4' energy: -89.363
flat angles P-C4'-P energy: -52.803
tors. eta vs tors. theta energy: -67.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -690.273782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.273782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.273782 (E_RNA)
where:
Base-Base interactions energy: -418.917
where: short stacking energy: -186.628
Base-Backbone interact. energy: -2.924
local terms energy: -268.432046
where:
bonds (distance) C4'-P energy: -76.575
bonds (distance) P-C4' energy: -80.108
flat angles C4'-P-C4' energy: -63.258
flat angles P-C4'-P energy: -44.163
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1817.061663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.061663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.061663 (E_RNA)
where:
Base-Base interactions energy: -1269.564
where: short stacking energy: -554.607
Base-Backbone interact. energy: -1.397
local terms energy: -546.100395
where:
bonds (distance) C4'-P energy: -97.785
bonds (distance) P-C4' energy: -87.698
flat angles C4'-P-C4' energy: -116.713
flat angles P-C4'-P energy: -82.854
tors. eta vs tors. theta energy: -161.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1808.735166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.735166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.735166 (E_RNA)
where:
Base-Base interactions energy: -1281.775
where: short stacking energy: -526.404
Base-Backbone interact. energy: -0.686
local terms energy: -526.273282
where:
bonds (distance) C4'-P energy: -83.700
bonds (distance) P-C4' energy: -96.077
flat angles C4'-P-C4' energy: -115.753
flat angles P-C4'-P energy: -78.700
tors. eta vs tors. theta energy: -152.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1717.831641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.831641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.831641 (E_RNA)
where:
Base-Base interactions energy: -1206.251
where: short stacking energy: -506.148
Base-Backbone interact. energy: -1.519
local terms energy: -510.061840
where:
bonds (distance) C4'-P energy: -87.828
bonds (distance) P-C4' energy: -90.714
flat angles C4'-P-C4' energy: -107.690
flat angles P-C4'-P energy: -80.126
tors. eta vs tors. theta energy: -143.703
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: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1678.553148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.553148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.553148 (E_RNA)
where:
Base-Base interactions energy: -1192.592
where: short stacking energy: -503.314
Base-Backbone interact. energy: -2.770
local terms energy: -483.190954
where:
bonds (distance) C4'-P energy: -73.029
bonds (distance) P-C4' energy: -90.516
flat angles C4'-P-C4' energy: -106.141
flat angles P-C4'-P energy: -71.046
tors. eta vs tors. theta energy: -142.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1634.547892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.547892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.547892 (E_RNA)
where:
Base-Base interactions energy: -1161.425
where: short stacking energy: -474.962
Base-Backbone interact. energy: -0.450
local terms energy: -472.673338
where:
bonds (distance) C4'-P energy: -88.463
bonds (distance) P-C4' energy: -98.764
flat angles C4'-P-C4' energy: -99.806
flat angles P-C4'-P energy: -58.612
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: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1613.938427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.938427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.938427 (E_RNA)
where:
Base-Base interactions energy: -1149.226
where: short stacking energy: -457.975
Base-Backbone interact. energy: -0.306
local terms energy: -464.406718
where:
bonds (distance) C4'-P energy: -77.483
bonds (distance) P-C4' energy: -76.629
flat angles C4'-P-C4' energy: -108.108
flat angles P-C4'-P energy: -71.800
tors. eta vs tors. theta energy: -130.387
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: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1459.760118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.760118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.760118 (E_RNA)
where:
Base-Base interactions energy: -1012.350
where: short stacking energy: -414.799
Base-Backbone interact. energy: -1.116
local terms energy: -446.293651
where:
bonds (distance) C4'-P energy: -76.233
bonds (distance) P-C4' energy: -92.795
flat angles C4'-P-C4' energy: -95.352
flat angles P-C4'-P energy: -58.979
tors. eta vs tors. theta energy: -122.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1257.885454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.885454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.885454 (E_RNA)
where:
Base-Base interactions energy: -854.176
where: short stacking energy: -375.167
Base-Backbone interact. energy: 0.878
local terms energy: -404.587496
where:
bonds (distance) C4'-P energy: -86.830
bonds (distance) P-C4' energy: -77.435
flat angles C4'-P-C4' energy: -84.599
flat angles P-C4'-P energy: -56.770
tors. eta vs tors. theta energy: -98.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -959.205530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.205530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.205530 (E_RNA)
where:
Base-Base interactions energy: -584.946
where: short stacking energy: -271.199
Base-Backbone interact. energy: 1.123
local terms energy: -375.381987
where:
bonds (distance) C4'-P energy: -95.800
bonds (distance) P-C4' energy: -85.037
flat angles C4'-P-C4' energy: -85.581
flat angles P-C4'-P energy: -51.964
tors. eta vs tors. theta energy: -57.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -717.372716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.372716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.372716 (E_RNA)
where:
Base-Base interactions energy: -425.260
where: short stacking energy: -200.130
Base-Backbone interact. energy: -0.222
local terms energy: -291.890889
where:
bonds (distance) C4'-P energy: -71.544
bonds (distance) P-C4' energy: -76.923
flat angles C4'-P-C4' energy: -70.132
flat angles P-C4'-P energy: -44.342
tors. eta vs tors. theta energy: -28.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1846.055125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.055125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.055125 (E_RNA)
where:
Base-Base interactions energy: -1310.447
where: short stacking energy: -549.878
Base-Backbone interact. energy: -2.230
local terms energy: -533.378387
where:
bonds (distance) C4'-P energy: -86.692
bonds (distance) P-C4' energy: -100.014
flat angles C4'-P-C4' energy: -114.725
flat angles P-C4'-P energy: -74.773
tors. eta vs tors. theta energy: -157.175
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: 2, replica: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1784.141461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.141461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.141461 (E_RNA)
where:
Base-Base interactions energy: -1258.770
where: short stacking energy: -540.524
Base-Backbone interact. energy: -0.207
local terms energy: -525.164234
where:
bonds (distance) C4'-P energy: -90.560
bonds (distance) P-C4' energy: -95.041
flat angles C4'-P-C4' energy: -106.847
flat angles P-C4'-P energy: -78.499
tors. eta vs tors. theta energy: -154.217
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: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1725.403079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.403079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.403079 (E_RNA)
where:
Base-Base interactions energy: -1214.899
where: short stacking energy: -508.774
Base-Backbone interact. energy: -1.613
local terms energy: -508.891607
where:
bonds (distance) C4'-P energy: -90.213
bonds (distance) P-C4' energy: -92.753
flat angles C4'-P-C4' energy: -109.338
flat angles P-C4'-P energy: -69.903
tors. eta vs tors. theta energy: -146.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1664.740015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.740015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.740015 (E_RNA)
where:
Base-Base interactions energy: -1168.253
where: short stacking energy: -481.300
Base-Backbone interact. energy: -1.432
local terms energy: -495.055061
where:
bonds (distance) C4'-P energy: -86.009
bonds (distance) P-C4' energy: -101.560
flat angles C4'-P-C4' energy: -98.208
flat angles P-C4'-P energy: -66.016
tors. eta vs tors. theta energy: -143.262
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: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1683.011820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.011820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.011820 (E_RNA)
where:
Base-Base interactions energy: -1171.767
where: short stacking energy: -488.275
Base-Backbone interact. energy: -3.085
local terms energy: -508.159803
where:
bonds (distance) C4'-P energy: -84.667
bonds (distance) P-C4' energy: -95.275
flat angles C4'-P-C4' energy: -111.067
flat angles P-C4'-P energy: -77.556
tors. eta vs tors. theta energy: -139.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1577.422360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.422360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.422360 (E_RNA)
where:
Base-Base interactions energy: -1123.322
where: short stacking energy: -466.313
Base-Backbone interact. energy: -0.706
local terms energy: -453.394517
where:
bonds (distance) C4'-P energy: -70.526
bonds (distance) P-C4' energy: -90.133
flat angles C4'-P-C4' energy: -102.991
flat angles P-C4'-P energy: -59.002
tors. eta vs tors. theta energy: -130.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1490.143763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.143763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.143763 (E_RNA)
where:
Base-Base interactions energy: -1053.448
where: short stacking energy: -457.300
Base-Backbone interact. energy: 1.222
local terms energy: -437.917771
where:
bonds (distance) C4'-P energy: -77.561
bonds (distance) P-C4' energy: -81.214
flat angles C4'-P-C4' energy: -86.931
flat angles P-C4'-P energy: -60.830
tors. eta vs tors. theta energy: -131.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1299.343630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.343630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.343630 (E_RNA)
where:
Base-Base interactions energy: -896.313
where: short stacking energy: -397.235
Base-Backbone interact. energy: 0.196
local terms energy: -403.226388
where:
bonds (distance) C4'-P energy: -78.901
bonds (distance) P-C4' energy: -74.660
flat angles C4'-P-C4' energy: -86.446
flat angles P-C4'-P energy: -66.751
tors. eta vs tors. theta energy: -96.469
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: 468
Temperature: 1.300000
Total energy: -955.617030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.617030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.617030 (E_RNA)
where:
Base-Base interactions energy: -594.763
where: short stacking energy: -261.264
Base-Backbone interact. energy: -1.110
local terms energy: -359.744345
where:
bonds (distance) C4'-P energy: -83.059
bonds (distance) P-C4' energy: -77.012
flat angles C4'-P-C4' energy: -92.634
flat angles P-C4'-P energy: -59.408
tors. eta vs tors. theta energy: -47.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -694.327508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.327508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.327508 (E_RNA)
where:
Base-Base interactions energy: -396.474
where: short stacking energy: -199.497
Base-Backbone interact. energy: -1.043
local terms energy: -296.811122
where:
bonds (distance) C4'-P energy: -69.874
bonds (distance) P-C4' energy: -90.310
flat angles C4'-P-C4' energy: -80.278
flat angles P-C4'-P energy: -36.661
tors. eta vs tors. theta energy: -19.688
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: 6
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1838.091632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.091632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.091632 (E_RNA)
where:
Base-Base interactions energy: -1306.020
where: short stacking energy: -532.539
Base-Backbone interact. energy: -2.622
local terms energy: -529.449944
where:
bonds (distance) C4'-P energy: -87.464
bonds (distance) P-C4' energy: -101.292
flat angles C4'-P-C4' energy: -112.347
flat angles P-C4'-P energy: -76.815
tors. eta vs tors. theta energy: -151.532
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: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1781.978690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.978690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.978690 (E_RNA)
where:
Base-Base interactions energy: -1258.214
where: short stacking energy: -532.412
Base-Backbone interact. energy: -0.596
local terms energy: -523.168542
where:
bonds (distance) C4'-P energy: -88.258
bonds (distance) P-C4' energy: -86.095
flat angles C4'-P-C4' energy: -110.222
flat angles P-C4'-P energy: -86.225
tors. eta vs tors. theta energy: -152.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1701.191087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.191087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.191087 (E_RNA)
where:
Base-Base interactions energy: -1194.132
where: short stacking energy: -504.246
Base-Backbone interact. energy: -2.265
local terms energy: -504.793150
where:
bonds (distance) C4'-P energy: -84.944
bonds (distance) P-C4' energy: -95.615
flat angles C4'-P-C4' energy: -105.501
flat angles P-C4'-P energy: -78.243
tors. eta vs tors. theta energy: -140.490
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: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1704.880532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.880532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.880532 (E_RNA)
where:
Base-Base interactions energy: -1202.042
where: short stacking energy: -494.590
Base-Backbone interact. energy: -2.661
local terms energy: -500.177301
where:
bonds (distance) C4'-P energy: -88.367
bonds (distance) P-C4' energy: -90.870
flat angles C4'-P-C4' energy: -105.499
flat angles P-C4'-P energy: -74.535
tors. eta vs tors. theta energy: -140.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1620.451398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.451398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.451398 (E_RNA)
where:
Base-Base interactions energy: -1143.842
where: short stacking energy: -444.492
Base-Backbone interact. energy: -1.601
local terms energy: -475.008126
where:
bonds (distance) C4'-P energy: -81.657
bonds (distance) P-C4' energy: -86.663
flat angles C4'-P-C4' energy: -111.318
flat angles P-C4'-P energy: -64.022
tors. eta vs tors. theta energy: -131.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1539.802547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.802547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.802547 (E_RNA)
where:
Base-Base interactions energy: -1077.622
where: short stacking energy: -455.465
Base-Backbone interact. energy: -3.355
local terms energy: -458.825872
where:
bonds (distance) C4'-P energy: -79.002
bonds (distance) P-C4' energy: -96.186
flat angles C4'-P-C4' energy: -95.719
flat angles P-C4'-P energy: -68.302
tors. eta vs tors. theta energy: -119.617
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: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1450.560718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.560718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.560718 (E_RNA)
where:
Base-Base interactions energy: -987.303
where: short stacking energy: -420.078
Base-Backbone interact. energy: -1.488
local terms energy: -461.769320
where:
bonds (distance) C4'-P energy: -86.874
bonds (distance) P-C4' energy: -95.895
flat angles C4'-P-C4' energy: -92.421
flat angles P-C4'-P energy: -62.411
tors. eta vs tors. theta energy: -124.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1261.048785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.048785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.048785 (E_RNA)
where:
Base-Base interactions energy: -890.898
where: short stacking energy: -364.341
Base-Backbone interact. energy: 0.367
local terms energy: -370.518036
where:
bonds (distance) C4'-P energy: -83.996
bonds (distance) P-C4' energy: -66.521
flat angles C4'-P-C4' energy: -86.019
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -92.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -988.382248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.382248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.382248 (E_RNA)
where:
Base-Base interactions energy: -644.378
where: short stacking energy: -304.797
Base-Backbone interact. energy: -1.621
local terms energy: -342.383355
where:
bonds (distance) C4'-P energy: -64.566
bonds (distance) P-C4' energy: -73.708
flat angles C4'-P-C4' energy: -99.032
flat angles P-C4'-P energy: -41.894
tors. eta vs tors. theta energy: -63.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -789.045442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.045442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.045442 (E_RNA)
where:
Base-Base interactions energy: -442.943
where: short stacking energy: -217.115
Base-Backbone interact. energy: -0.659
local terms energy: -345.442809
where:
bonds (distance) C4'-P energy: -77.457
bonds (distance) P-C4' energy: -82.706
flat angles C4'-P-C4' energy: -96.674
flat angles P-C4'-P energy: -44.897
tors. eta vs tors. theta energy: -43.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1843.684557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.684557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.684557 (E_RNA)
where:
Base-Base interactions energy: -1296.688
where: short stacking energy: -526.742
Base-Backbone interact. energy: -0.701
local terms energy: -546.294766
where:
bonds (distance) C4'-P energy: -107.328
bonds (distance) P-C4' energy: -94.702
flat angles C4'-P-C4' energy: -114.781
flat angles P-C4'-P energy: -79.983
tors. eta vs tors. theta energy: -149.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1768.763331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.763331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.763331 (E_RNA)
where:
Base-Base interactions energy: -1240.995
where: short stacking energy: -534.487
Base-Backbone interact. energy: -2.278
local terms energy: -525.490478
where:
bonds (distance) C4'-P energy: -98.302
bonds (distance) P-C4' energy: -102.051
flat angles C4'-P-C4' energy: -97.766
flat angles P-C4'-P energy: -80.866
tors. eta vs tors. theta energy: -146.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1727.555622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.555622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.555622 (E_RNA)
where:
Base-Base interactions energy: -1216.637
where: short stacking energy: -501.107
Base-Backbone interact. energy: -3.043
local terms energy: -507.876204
where:
bonds (distance) C4'-P energy: -93.992
bonds (distance) P-C4' energy: -94.746
flat angles C4'-P-C4' energy: -98.324
flat angles P-C4'-P energy: -73.758
tors. eta vs tors. theta energy: -147.056
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: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1663.752002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.752002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.752002 (E_RNA)
where:
Base-Base interactions energy: -1180.453
where: short stacking energy: -479.465
Base-Backbone interact. energy: -0.570
local terms energy: -482.728499
where:
bonds (distance) C4'-P energy: -91.117
bonds (distance) P-C4' energy: -87.395
flat angles C4'-P-C4' energy: -107.292
flat angles P-C4'-P energy: -60.534
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: 5, replica: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1630.269940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.269940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.269940 (E_RNA)
where:
Base-Base interactions energy: -1154.893
where: short stacking energy: -467.311
Base-Backbone interact. energy: -2.008
local terms energy: -473.369551
where:
bonds (distance) C4'-P energy: -81.469
bonds (distance) P-C4' energy: -83.906
flat angles C4'-P-C4' energy: -116.647
flat angles P-C4'-P energy: -61.137
tors. eta vs tors. theta energy: -130.210
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: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1567.010077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.010077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.010077 (E_RNA)
where:
Base-Base interactions energy: -1100.046
where: short stacking energy: -446.569
Base-Backbone interact. energy: -1.220
local terms energy: -465.744372
where:
bonds (distance) C4'-P energy: -82.514
bonds (distance) P-C4' energy: -97.600
flat angles C4'-P-C4' energy: -106.327
flat angles P-C4'-P energy: -51.710
tors. eta vs tors. theta energy: -127.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1396.750624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.750624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.750624 (E_RNA)
where:
Base-Base interactions energy: -993.937
where: short stacking energy: -389.098
Base-Backbone interact. energy: 0.632
local terms energy: -403.445758
where:
bonds (distance) C4'-P energy: -58.048
bonds (distance) P-C4' energy: -82.707
flat angles C4'-P-C4' energy: -98.376
flat angles P-C4'-P energy: -65.893
tors. eta vs tors. theta energy: -98.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1234.554013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.554013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.554013 (E_RNA)
where:
Base-Base interactions energy: -863.198
where: short stacking energy: -391.812
Base-Backbone interact. energy: 1.614
local terms energy: -372.969433
where:
bonds (distance) C4'-P energy: -68.893
bonds (distance) P-C4' energy: -72.667
flat angles C4'-P-C4' energy: -77.448
flat angles P-C4'-P energy: -56.072
tors. eta vs tors. theta energy: -97.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -922.209747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.209747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.209747 (E_RNA)
where:
Base-Base interactions energy: -602.116
where: short stacking energy: -258.180
Base-Backbone interact. energy: 0.159
local terms energy: -320.252262
where:
bonds (distance) C4'-P energy: -71.330
bonds (distance) P-C4' energy: -78.052
flat angles C4'-P-C4' energy: -69.827
flat angles P-C4'-P energy: -49.695
tors. eta vs tors. theta energy: -51.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -676.276801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.276801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.276801 (E_RNA)
where:
Base-Base interactions energy: -398.040
where: short stacking energy: -182.243
Base-Backbone interact. energy: -1.041
local terms energy: -277.195969
where:
bonds (distance) C4'-P energy: -60.117
bonds (distance) P-C4' energy: -75.005
flat angles C4'-P-C4' energy: -82.201
flat angles P-C4'-P energy: -44.114
tors. eta vs tors. theta energy: -15.760
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: 6
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1839.264711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.264711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.264711 (E_RNA)
where:
Base-Base interactions energy: -1307.987
where: short stacking energy: -547.498
Base-Backbone interact. energy: -1.412
local terms energy: -529.865363
where:
bonds (distance) C4'-P energy: -87.005
bonds (distance) P-C4' energy: -90.916
flat angles C4'-P-C4' energy: -108.374
flat angles P-C4'-P energy: -84.605
tors. eta vs tors. theta energy: -158.965
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: 471
Temperature: 0.950000
Total energy: -1740.789016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.789016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.789016 (E_RNA)
where:
Base-Base interactions energy: -1219.540
where: short stacking energy: -502.042
Base-Backbone interact. energy: -3.876
local terms energy: -517.372602
where:
bonds (distance) C4'-P energy: -88.403
bonds (distance) P-C4' energy: -95.114
flat angles C4'-P-C4' energy: -98.061
flat angles P-C4'-P energy: -83.389
tors. eta vs tors. theta energy: -152.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1746.458236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.458236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.458236 (E_RNA)
where:
Base-Base interactions energy: -1221.431
where: short stacking energy: -497.915
Base-Backbone interact. energy: 1.106
local terms energy: -526.132740
where:
bonds (distance) C4'-P energy: -94.786
bonds (distance) P-C4' energy: -91.485
flat angles C4'-P-C4' energy: -103.782
flat angles P-C4'-P energy: -83.861
tors. eta vs tors. theta energy: -152.219
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: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1654.093566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.093566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.093566 (E_RNA)
where:
Base-Base interactions energy: -1174.238
where: short stacking energy: -475.809
Base-Backbone interact. energy: -1.266
local terms energy: -478.588917
where:
bonds (distance) C4'-P energy: -85.300
bonds (distance) P-C4' energy: -89.542
flat angles C4'-P-C4' energy: -107.727
flat angles P-C4'-P energy: -68.936
tors. eta vs tors. theta energy: -127.084
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: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1598.534021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.534021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.534021 (E_RNA)
where:
Base-Base interactions energy: -1119.855
where: short stacking energy: -467.465
Base-Backbone interact. energy: 1.159
local terms energy: -479.837408
where:
bonds (distance) C4'-P energy: -84.278
bonds (distance) P-C4' energy: -92.564
flat angles C4'-P-C4' energy: -103.825
flat angles P-C4'-P energy: -74.972
tors. eta vs tors. theta energy: -124.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1605.280311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.280311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.280311 (E_RNA)
where:
Base-Base interactions energy: -1138.517
where: short stacking energy: -469.444
Base-Backbone interact. energy: 0.907
local terms energy: -467.670383
where:
bonds (distance) C4'-P energy: -88.837
bonds (distance) P-C4' energy: -72.053
flat angles C4'-P-C4' energy: -90.148
flat angles P-C4'-P energy: -78.987
tors. eta vs tors. theta energy: -137.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1424.494298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.494298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.494298 (E_RNA)
where:
Base-Base interactions energy: -977.181
where: short stacking energy: -401.135
Base-Backbone interact. energy: -0.509
local terms energy: -446.803486
where:
bonds (distance) C4'-P energy: -80.206
bonds (distance) P-C4' energy: -89.998
flat angles C4'-P-C4' energy: -91.402
flat angles P-C4'-P energy: -79.868
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: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1280.051359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.051359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.051359 (E_RNA)
where:
Base-Base interactions energy: -874.527
where: short stacking energy: -384.739
Base-Backbone interact. energy: -3.320
local terms energy: -402.203499
where:
bonds (distance) C4'-P energy: -75.590
bonds (distance) P-C4' energy: -81.670
flat angles C4'-P-C4' energy: -86.788
flat angles P-C4'-P energy: -61.560
tors. eta vs tors. theta energy: -96.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -917.247768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.247768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.247768 (E_RNA)
where:
Base-Base interactions energy: -582.624
where: short stacking energy: -266.380
Base-Backbone interact. energy: -1.823
local terms energy: -332.801699
where:
bonds (distance) C4'-P energy: -72.840
bonds (distance) P-C4' energy: -75.974
flat angles C4'-P-C4' energy: -79.175
flat angles P-C4'-P energy: -51.180
tors. eta vs tors. theta energy: -53.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -769.208686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.208686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.208686 (E_RNA)
where:
Base-Base interactions energy: -450.994
where: short stacking energy: -221.437
Base-Backbone interact. energy: -1.775
local terms energy: -316.439061
where:
bonds (distance) C4'-P energy: -74.554
bonds (distance) P-C4' energy: -89.514
flat angles C4'-P-C4' energy: -80.103
flat angles P-C4'-P energy: -40.164
tors. eta vs tors. theta energy: -32.104
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: 6
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1838.480931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.480931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.480931 (E_RNA)
where:
Base-Base interactions energy: -1299.504
where: short stacking energy: -548.379
Base-Backbone interact. energy: -1.440
local terms energy: -537.537163
where:
bonds (distance) C4'-P energy: -99.305
bonds (distance) P-C4' energy: -89.637
flat angles C4'-P-C4' energy: -113.234
flat angles P-C4'-P energy: -83.438
tors. eta vs tors. theta energy: -151.924
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: 472
Temperature: 0.950000
Total energy: -1773.249550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.249550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.249550 (E_RNA)
where:
Base-Base interactions energy: -1233.277
where: short stacking energy: -516.286
Base-Backbone interact. energy: -3.372
local terms energy: -536.600072
where:
bonds (distance) C4'-P energy: -102.422
bonds (distance) P-C4' energy: -105.740
flat angles C4'-P-C4' energy: -109.727
flat angles P-C4'-P energy: -74.013
tors. eta vs tors. theta energy: -144.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1749.922573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.922573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.922573 (E_RNA)
where:
Base-Base interactions energy: -1241.543
where: short stacking energy: -534.341
Base-Backbone interact. energy: -1.078
local terms energy: -507.301887
where:
bonds (distance) C4'-P energy: -86.932
bonds (distance) P-C4' energy: -75.260
flat angles C4'-P-C4' energy: -112.118
flat angles P-C4'-P energy: -74.411
tors. eta vs tors. theta energy: -158.581
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: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1647.932005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.932005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.932005 (E_RNA)
where:
Base-Base interactions energy: -1144.441
where: short stacking energy: -465.411
Base-Backbone interact. energy: -2.524
local terms energy: -500.967218
where:
bonds (distance) C4'-P energy: -93.743
bonds (distance) P-C4' energy: -90.971
flat angles C4'-P-C4' energy: -104.557
flat angles P-C4'-P energy: -68.657
tors. eta vs tors. theta energy: -143.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1640.843381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.843381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.843381 (E_RNA)
where:
Base-Base interactions energy: -1157.429
where: short stacking energy: -488.874
Base-Backbone interact. energy: -1.007
local terms energy: -482.407685
where:
bonds (distance) C4'-P energy: -73.964
bonds (distance) P-C4' energy: -90.125
flat angles C4'-P-C4' energy: -107.149
flat angles P-C4'-P energy: -65.588
tors. eta vs tors. theta energy: -145.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1532.273782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.273782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.273782 (E_RNA)
where:
Base-Base interactions energy: -1070.572
where: short stacking energy: -444.116
Base-Backbone interact. energy: -1.337
local terms energy: -460.363934
where:
bonds (distance) C4'-P energy: -80.885
bonds (distance) P-C4' energy: -86.319
flat angles C4'-P-C4' energy: -104.729
flat angles P-C4'-P energy: -65.744
tors. eta vs tors. theta energy: -122.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1412.247390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.247390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.247390 (E_RNA)
where:
Base-Base interactions energy: -974.734
where: short stacking energy: -400.556
Base-Backbone interact. energy: -1.677
local terms energy: -435.836703
where:
bonds (distance) C4'-P energy: -81.285
bonds (distance) P-C4' energy: -77.381
flat angles C4'-P-C4' energy: -105.064
flat angles P-C4'-P energy: -68.291
tors. eta vs tors. theta energy: -103.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1208.927050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.927050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.927050 (E_RNA)
where:
Base-Base interactions energy: -807.827
where: short stacking energy: -371.182
Base-Backbone interact. energy: 0.647
local terms energy: -401.747235
where:
bonds (distance) C4'-P energy: -78.897
bonds (distance) P-C4' energy: -75.832
flat angles C4'-P-C4' energy: -94.307
flat angles P-C4'-P energy: -68.268
tors. eta vs tors. theta energy: -84.443
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: 472
Temperature: 1.300000
Total energy: -898.306210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.306210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.306210 (E_RNA)
where:
Base-Base interactions energy: -556.153
where: short stacking energy: -245.106
Base-Backbone interact. energy: 0.453
local terms energy: -342.605863
where:
bonds (distance) C4'-P energy: -89.674
bonds (distance) P-C4' energy: -101.438
flat angles C4'-P-C4' energy: -69.850
flat angles P-C4'-P energy: -47.219
tors. eta vs tors. theta energy: -34.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -738.663714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.663714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.663714 (E_RNA)
where:
Base-Base interactions energy: -419.123
where: short stacking energy: -195.822
Base-Backbone interact. energy: -0.880
local terms energy: -318.661305
where:
bonds (distance) C4'-P energy: -83.085
bonds (distance) P-C4' energy: -87.863
flat angles C4'-P-C4' energy: -68.291
flat angles P-C4'-P energy: -60.251
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1849.456270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.456270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.456270 (E_RNA)
where:
Base-Base interactions energy: -1299.558
where: short stacking energy: -528.712
Base-Backbone interact. energy: -1.769
local terms energy: -548.129660
where:
bonds (distance) C4'-P energy: -108.718
bonds (distance) P-C4' energy: -92.903
flat angles C4'-P-C4' energy: -113.491
flat angles P-C4'-P energy: -77.552
tors. eta vs tors. theta energy: -155.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1793.239553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.239553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.239553 (E_RNA)
where:
Base-Base interactions energy: -1252.975
where: short stacking energy: -528.424
Base-Backbone interact. energy: -1.020
local terms energy: -539.243768
where:
bonds (distance) C4'-P energy: -97.591
bonds (distance) P-C4' energy: -93.197
flat angles C4'-P-C4' energy: -116.196
flat angles P-C4'-P energy: -78.156
tors. eta vs tors. theta energy: -154.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1736.290996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.290996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.290996 (E_RNA)
where:
Base-Base interactions energy: -1231.140
where: short stacking energy: -519.272
Base-Backbone interact. energy: -2.639
local terms energy: -502.511944
where:
bonds (distance) C4'-P energy: -79.948
bonds (distance) P-C4' energy: -83.495
flat angles C4'-P-C4' energy: -112.890
flat angles P-C4'-P energy: -78.308
tors. eta vs tors. theta energy: -147.871
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: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1692.039924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.039924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.039924 (E_RNA)
where:
Base-Base interactions energy: -1201.584
where: short stacking energy: -474.247
Base-Backbone interact. energy: -0.643
local terms energy: -489.813071
where:
bonds (distance) C4'-P energy: -90.962
bonds (distance) P-C4' energy: -88.250
flat angles C4'-P-C4' energy: -101.995
flat angles P-C4'-P energy: -72.297
tors. eta vs tors. theta energy: -136.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1645.532268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.532268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.532268 (E_RNA)
where:
Base-Base interactions energy: -1150.853
where: short stacking energy: -468.692
Base-Backbone interact. energy: -1.019
local terms energy: -493.660333
where:
bonds (distance) C4'-P energy: -91.061
bonds (distance) P-C4' energy: -94.757
flat angles C4'-P-C4' energy: -106.199
flat angles P-C4'-P energy: -57.445
tors. eta vs tors. theta energy: -144.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1506.407815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.407815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.407815 (E_RNA)
where:
Base-Base interactions energy: -1045.271
where: short stacking energy: -431.596
Base-Backbone interact. energy: -1.411
local terms energy: -459.725755
where:
bonds (distance) C4'-P energy: -73.964
bonds (distance) P-C4' energy: -96.621
flat angles C4'-P-C4' energy: -106.527
flat angles P-C4'-P energy: -64.977
tors. eta vs tors. theta energy: -117.637
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: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1441.145557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.145557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.145557 (E_RNA)
where:
Base-Base interactions energy: -991.606
where: short stacking energy: -414.965
Base-Backbone interact. energy: 1.172
local terms energy: -450.711286
where:
bonds (distance) C4'-P energy: -80.173
bonds (distance) P-C4' energy: -85.975
flat angles C4'-P-C4' energy: -97.688
flat angles P-C4'-P energy: -56.972
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: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1217.180072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.180072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.180072 (E_RNA)
where:
Base-Base interactions energy: -807.439
where: short stacking energy: -348.551
Base-Backbone interact. energy: -0.497
local terms energy: -409.243973
where:
bonds (distance) C4'-P energy: -80.677
bonds (distance) P-C4' energy: -89.758
flat angles C4'-P-C4' energy: -85.280
flat angles P-C4'-P energy: -59.234
tors. eta vs tors. theta energy: -94.296
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: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -948.072304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.072304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.072304 (E_RNA)
where:
Base-Base interactions energy: -624.825
where: short stacking energy: -279.707
Base-Backbone interact. energy: 4.633
local terms energy: -327.880051
where:
bonds (distance) C4'-P energy: -61.677
bonds (distance) P-C4' energy: -80.943
flat angles C4'-P-C4' energy: -79.947
flat angles P-C4'-P energy: -55.242
tors. eta vs tors. theta energy: -50.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -819.047022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.047022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.047022 (E_RNA)
where:
Base-Base interactions energy: -479.613
where: short stacking energy: -244.692
Base-Backbone interact. energy: 0.662
local terms energy: -340.096283
where:
bonds (distance) C4'-P energy: -91.228
bonds (distance) P-C4' energy: -70.850
flat angles C4'-P-C4' energy: -76.826
flat angles P-C4'-P energy: -55.542
tors. eta vs tors. theta energy: -45.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1862.266325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.266325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.266325 (E_RNA)
where:
Base-Base interactions energy: -1304.736
where: short stacking energy: -558.500
Base-Backbone interact. energy: -1.591
local terms energy: -555.939146
where:
bonds (distance) C4'-P energy: -100.687
bonds (distance) P-C4' energy: -96.069
flat angles C4'-P-C4' energy: -111.104
flat angles P-C4'-P energy: -85.587
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: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1777.015994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.015994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.015994 (E_RNA)
where:
Base-Base interactions energy: -1249.032
where: short stacking energy: -513.160
Base-Backbone interact. energy: -2.664
local terms energy: -525.319761
where:
bonds (distance) C4'-P energy: -92.537
bonds (distance) P-C4' energy: -100.381
flat angles C4'-P-C4' energy: -102.539
flat angles P-C4'-P energy: -77.729
tors. eta vs tors. theta energy: -152.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1741.470129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.470129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.470129 (E_RNA)
where:
Base-Base interactions energy: -1230.553
where: short stacking energy: -510.116
Base-Backbone interact. energy: -2.174
local terms energy: -508.742966
where:
bonds (distance) C4'-P energy: -97.118
bonds (distance) P-C4' energy: -79.010
flat angles C4'-P-C4' energy: -112.736
flat angles P-C4'-P energy: -74.159
tors. eta vs tors. theta energy: -145.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1692.113718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.113718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.113718 (E_RNA)
where:
Base-Base interactions energy: -1193.371
where: short stacking energy: -479.686
Base-Backbone interact. energy: -3.635
local terms energy: -495.107240
where:
bonds (distance) C4'-P energy: -92.592
bonds (distance) P-C4' energy: -93.543
flat angles C4'-P-C4' energy: -100.647
flat angles P-C4'-P energy: -69.771
tors. eta vs tors. theta energy: -138.555
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: 474
Temperature: 1.100000
Total energy: -1670.109780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.109780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.109780 (E_RNA)
where:
Base-Base interactions energy: -1179.831
where: short stacking energy: -506.329
Base-Backbone interact. energy: -0.282
local terms energy: -489.996059
where:
bonds (distance) C4'-P energy: -81.940
bonds (distance) P-C4' energy: -79.027
flat angles C4'-P-C4' energy: -112.589
flat angles P-C4'-P energy: -66.787
tors. eta vs tors. theta energy: -149.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1554.581102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.581102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.581102 (E_RNA)
where:
Base-Base interactions energy: -1088.320
where: short stacking energy: -458.174
Base-Backbone interact. energy: -0.581
local terms energy: -465.680182
where:
bonds (distance) C4'-P energy: -81.113
bonds (distance) P-C4' energy: -88.641
flat angles C4'-P-C4' energy: -98.876
flat angles P-C4'-P energy: -67.452
tors. eta vs tors. theta energy: -129.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1456.158413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.158413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.158413 (E_RNA)
where:
Base-Base interactions energy: -1010.060
where: short stacking energy: -410.482
Base-Backbone interact. energy: 1.017
local terms energy: -447.115983
where:
bonds (distance) C4'-P energy: -69.619
bonds (distance) P-C4' energy: -83.822
flat angles C4'-P-C4' energy: -108.185
flat angles P-C4'-P energy: -67.765
tors. eta vs tors. theta energy: -117.725
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: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1207.438484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.438484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.438484 (E_RNA)
where:
Base-Base interactions energy: -799.028
where: short stacking energy: -356.362
Base-Backbone interact. energy: -1.176
local terms energy: -407.235443
where:
bonds (distance) C4'-P energy: -75.556
bonds (distance) P-C4' energy: -85.185
flat angles C4'-P-C4' energy: -90.905
flat angles P-C4'-P energy: -68.100
tors. eta vs tors. theta energy: -87.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1019.264876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.264876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.264876 (E_RNA)
where:
Base-Base interactions energy: -679.495
where: short stacking energy: -322.179
Base-Backbone interact. energy: 4.341
local terms energy: -344.111314
where:
bonds (distance) C4'-P energy: -81.188
bonds (distance) P-C4' energy: -67.716
flat angles C4'-P-C4' energy: -70.048
flat angles P-C4'-P energy: -52.981
tors. eta vs tors. theta energy: -72.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -830.677448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.677448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.677448 (E_RNA)
where:
Base-Base interactions energy: -505.119
where: short stacking energy: -210.185
Base-Backbone interact. energy: -3.085
local terms energy: -322.473159
where:
bonds (distance) C4'-P energy: -95.506
bonds (distance) P-C4' energy: -87.661
flat angles C4'-P-C4' energy: -81.300
flat angles P-C4'-P energy: -33.688
tors. eta vs tors. theta energy: -24.319
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: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1839.024617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.024617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.024617 (E_RNA)
where:
Base-Base interactions energy: -1291.015
where: short stacking energy: -522.176
Base-Backbone interact. energy: -4.226
local terms energy: -543.783186
where:
bonds (distance) C4'-P energy: -106.792
bonds (distance) P-C4' energy: -94.384
flat angles C4'-P-C4' energy: -118.055
flat angles P-C4'-P energy: -78.602
tors. eta vs tors. theta energy: -145.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1752.682584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.682584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.682584 (E_RNA)
where:
Base-Base interactions energy: -1224.913
where: short stacking energy: -506.026
Base-Backbone interact. energy: -1.268
local terms energy: -526.501638
where:
bonds (distance) C4'-P energy: -82.365
bonds (distance) P-C4' energy: -107.963
flat angles C4'-P-C4' energy: -118.315
flat angles P-C4'-P energy: -79.187
tors. eta vs tors. theta energy: -138.672
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: 475
Temperature: 1.000000
Total energy: -1734.994723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.994723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.994723 (E_RNA)
where:
Base-Base interactions energy: -1223.426
where: short stacking energy: -511.271
Base-Backbone interact. energy: -1.739
local terms energy: -509.829968
where:
bonds (distance) C4'-P energy: -94.768
bonds (distance) P-C4' energy: -96.901
flat angles C4'-P-C4' energy: -106.001
flat angles P-C4'-P energy: -68.652
tors. eta vs tors. theta energy: -143.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1684.370917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.370917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.370917 (E_RNA)
where:
Base-Base interactions energy: -1190.221
where: short stacking energy: -508.470
Base-Backbone interact. energy: 0.198
local terms energy: -494.347254
where:
bonds (distance) C4'-P energy: -82.782
bonds (distance) P-C4' energy: -89.000
flat angles C4'-P-C4' energy: -110.201
flat angles P-C4'-P energy: -70.045
tors. eta vs tors. theta energy: -142.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1652.533413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.533413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.533413 (E_RNA)
where:
Base-Base interactions energy: -1152.480
where: short stacking energy: -481.449
Base-Backbone interact. energy: -1.457
local terms energy: -498.596918
where:
bonds (distance) C4'-P energy: -92.046
bonds (distance) P-C4' energy: -89.596
flat angles C4'-P-C4' energy: -107.347
flat angles P-C4'-P energy: -70.691
tors. eta vs tors. theta energy: -138.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1547.896325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.896325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.896325 (E_RNA)
where:
Base-Base interactions energy: -1093.239
where: short stacking energy: -470.836
Base-Backbone interact. energy: -0.629
local terms energy: -454.028406
where:
bonds (distance) C4'-P energy: -77.509
bonds (distance) P-C4' energy: -90.377
flat angles C4'-P-C4' energy: -93.822
flat angles P-C4'-P energy: -58.799
tors. eta vs tors. theta energy: -133.522
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: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1451.906463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.906463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.906463 (E_RNA)
where:
Base-Base interactions energy: -1031.299
where: short stacking energy: -432.494
Base-Backbone interact. energy: -0.947
local terms energy: -419.660564
where:
bonds (distance) C4'-P energy: -78.214
bonds (distance) P-C4' energy: -74.577
flat angles C4'-P-C4' energy: -88.506
flat angles P-C4'-P energy: -59.306
tors. eta vs tors. theta energy: -119.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1048.110001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.110001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.110001 (E_RNA)
where:
Base-Base interactions energy: -677.637
where: short stacking energy: -294.091
Base-Backbone interact. energy: -2.493
local terms energy: -367.979509
where:
bonds (distance) C4'-P energy: -80.064
bonds (distance) P-C4' energy: -92.734
flat angles C4'-P-C4' energy: -86.273
flat angles P-C4'-P energy: -55.325
tors. eta vs tors. theta energy: -53.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1022.386877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.386877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.386877 (E_RNA)
where:
Base-Base interactions energy: -688.854
where: short stacking energy: -303.359
Base-Backbone interact. energy: -0.094
local terms energy: -333.438793
where:
bonds (distance) C4'-P energy: -67.464
bonds (distance) P-C4' energy: -68.690
flat angles C4'-P-C4' energy: -76.606
flat angles P-C4'-P energy: -59.229
tors. eta vs tors. theta energy: -61.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -811.967615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.967615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.967615 (E_RNA)
where:
Base-Base interactions energy: -507.751
where: short stacking energy: -223.143
Base-Backbone interact. energy: -0.927
local terms energy: -303.289907
where:
bonds (distance) C4'-P energy: -60.150
bonds (distance) P-C4' energy: -69.206
flat angles C4'-P-C4' energy: -79.924
flat angles P-C4'-P energy: -51.120
tors. eta vs tors. theta energy: -42.890
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: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1841.253645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.253645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.253645 (E_RNA)
where:
Base-Base interactions energy: -1315.372
where: short stacking energy: -538.613
Base-Backbone interact. energy: -1.780
local terms energy: -524.100932
where:
bonds (distance) C4'-P energy: -104.688
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -103.906
flat angles P-C4'-P energy: -76.768
tors. eta vs tors. theta energy: -147.231
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: 2, replica: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1782.149005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.149005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.149005 (E_RNA)
where:
Base-Base interactions energy: -1242.060
where: short stacking energy: -512.721
Base-Backbone interact. energy: -1.215
local terms energy: -538.874010
where:
bonds (distance) C4'-P energy: -84.318
bonds (distance) P-C4' energy: -104.656
flat angles C4'-P-C4' energy: -117.417
flat angles P-C4'-P energy: -78.833
tors. eta vs tors. theta energy: -153.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1721.256166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.256166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.256166 (E_RNA)
where:
Base-Base interactions energy: -1221.997
where: short stacking energy: -495.833
Base-Backbone interact. energy: -2.618
local terms energy: -496.640687
where:
bonds (distance) C4'-P energy: -88.793
bonds (distance) P-C4' energy: -83.630
flat angles C4'-P-C4' energy: -104.236
flat angles P-C4'-P energy: -72.514
tors. eta vs tors. theta energy: -147.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1681.511173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.511173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.511173 (E_RNA)
where:
Base-Base interactions energy: -1173.381
where: short stacking energy: -481.761
Base-Backbone interact. energy: -0.365
local terms energy: -507.765316
where:
bonds (distance) C4'-P energy: -89.844
bonds (distance) P-C4' energy: -91.739
flat angles C4'-P-C4' energy: -104.695
flat angles P-C4'-P energy: -77.305
tors. eta vs tors. theta energy: -144.182
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: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1639.340831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.340831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.340831 (E_RNA)
where:
Base-Base interactions energy: -1165.088
where: short stacking energy: -471.204
Base-Backbone interact. energy: -1.431
local terms energy: -472.821792
where:
bonds (distance) C4'-P energy: -73.170
bonds (distance) P-C4' energy: -92.613
flat angles C4'-P-C4' energy: -106.297
flat angles P-C4'-P energy: -65.503
tors. eta vs tors. theta energy: -135.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1594.349240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.349240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.349240 (E_RNA)
where:
Base-Base interactions energy: -1131.279
where: short stacking energy: -483.269
Base-Backbone interact. energy: -2.566
local terms energy: -460.504168
where:
bonds (distance) C4'-P energy: -86.429
bonds (distance) P-C4' energy: -84.046
flat angles C4'-P-C4' energy: -99.523
flat angles P-C4'-P energy: -59.856
tors. eta vs tors. theta energy: -130.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1443.424330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.424330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.424330 (E_RNA)
where:
Base-Base interactions energy: -992.002
where: short stacking energy: -404.377
Base-Backbone interact. energy: -0.303
local terms energy: -451.118982
where:
bonds (distance) C4'-P energy: -91.149
bonds (distance) P-C4' energy: -88.490
flat angles C4'-P-C4' energy: -97.605
flat angles P-C4'-P energy: -55.616
tors. eta vs tors. theta energy: -118.258
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: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1070.826680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.826680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.826680 (E_RNA)
where:
Base-Base interactions energy: -699.871
where: short stacking energy: -313.677
Base-Backbone interact. energy: 1.775
local terms energy: -372.730569
where:
bonds (distance) C4'-P energy: -69.712
bonds (distance) P-C4' energy: -94.333
flat angles C4'-P-C4' energy: -93.653
flat angles P-C4'-P energy: -50.414
tors. eta vs tors. theta energy: -64.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1032.287539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.287539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.287539 (E_RNA)
where:
Base-Base interactions energy: -687.940
where: short stacking energy: -305.624
Base-Backbone interact. energy: 4.719
local terms energy: -349.066605
where:
bonds (distance) C4'-P energy: -71.546
bonds (distance) P-C4' energy: -76.805
flat angles C4'-P-C4' energy: -85.299
flat angles P-C4'-P energy: -57.991
tors. eta vs tors. theta energy: -57.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -859.382162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.382162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.382162 (E_RNA)
where:
Base-Base interactions energy: -555.979
where: short stacking energy: -246.946
Base-Backbone interact. energy: 0.304
local terms energy: -303.707753
where:
bonds (distance) C4'-P energy: -77.116
bonds (distance) P-C4' energy: -63.226
flat angles C4'-P-C4' energy: -78.793
flat angles P-C4'-P energy: -46.094
tors. eta vs tors. theta energy: -38.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1820.076958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.076958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.076958 (E_RNA)
where:
Base-Base interactions energy: -1295.783
where: short stacking energy: -544.823
Base-Backbone interact. energy: -3.750
local terms energy: -520.543672
where:
bonds (distance) C4'-P energy: -90.655
bonds (distance) P-C4' energy: -86.148
flat angles C4'-P-C4' energy: -112.106
flat angles P-C4'-P energy: -80.701
tors. eta vs tors. theta energy: -150.933
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: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1788.423984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.423984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.423984 (E_RNA)
where:
Base-Base interactions energy: -1246.173
where: short stacking energy: -538.180
Base-Backbone interact. energy: -2.444
local terms energy: -539.807138
where:
bonds (distance) C4'-P energy: -89.138
bonds (distance) P-C4' energy: -95.483
flat angles C4'-P-C4' energy: -118.982
flat angles P-C4'-P energy: -78.538
tors. eta vs tors. theta energy: -157.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1720.971024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.971024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.971024 (E_RNA)
where:
Base-Base interactions energy: -1198.194
where: short stacking energy: -491.869
Base-Backbone interact. energy: -2.921
local terms energy: -519.856277
where:
bonds (distance) C4'-P energy: -94.087
bonds (distance) P-C4' energy: -90.818
flat angles C4'-P-C4' energy: -115.796
flat angles P-C4'-P energy: -78.547
tors. eta vs tors. theta energy: -140.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1701.587294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.587294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.587294 (E_RNA)
where:
Base-Base interactions energy: -1176.246
where: short stacking energy: -499.920
Base-Backbone interact. energy: -0.505
local terms energy: -524.835507
where:
bonds (distance) C4'-P energy: -94.632
bonds (distance) P-C4' energy: -105.027
flat angles C4'-P-C4' energy: -105.044
flat angles P-C4'-P energy: -72.597
tors. eta vs tors. theta energy: -147.535
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: 477
Temperature: 1.100000
Total energy: -1623.987525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.987525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.987525 (E_RNA)
where:
Base-Base interactions energy: -1141.011
where: short stacking energy: -467.199
Base-Backbone interact. energy: 0.804
local terms energy: -483.779924
where:
bonds (distance) C4'-P energy: -84.641
bonds (distance) P-C4' energy: -92.056
flat angles C4'-P-C4' energy: -103.701
flat angles P-C4'-P energy: -75.452
tors. eta vs tors. theta energy: -127.930
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: 7
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1590.735591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.735591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.735591 (E_RNA)
where:
Base-Base interactions energy: -1130.208
where: short stacking energy: -460.515
Base-Backbone interact. energy: 1.191
local terms energy: -461.718774
where:
bonds (distance) C4'-P energy: -73.300
bonds (distance) P-C4' energy: -86.073
flat angles C4'-P-C4' energy: -103.488
flat angles P-C4'-P energy: -64.979
tors. eta vs tors. theta energy: -133.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1461.708559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.708559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.708559 (E_RNA)
where:
Base-Base interactions energy: -1016.908
where: short stacking energy: -438.095
Base-Backbone interact. energy: -0.532
local terms energy: -444.268795
where:
bonds (distance) C4'-P energy: -66.203
bonds (distance) P-C4' energy: -96.543
flat angles C4'-P-C4' energy: -101.716
flat angles P-C4'-P energy: -66.363
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: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1038.784333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.784333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.784333 (E_RNA)
where:
Base-Base interactions energy: -695.720
where: short stacking energy: -301.205
Base-Backbone interact. energy: -0.565
local terms energy: -342.499317
where:
bonds (distance) C4'-P energy: -76.668
bonds (distance) P-C4' energy: -64.341
flat angles C4'-P-C4' energy: -86.377
flat angles P-C4'-P energy: -53.352
tors. eta vs tors. theta energy: -61.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1026.525004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.525004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.525004 (E_RNA)
where:
Base-Base interactions energy: -649.887
where: short stacking energy: -291.819
Base-Backbone interact. energy: -1.065
local terms energy: -375.573276
where:
bonds (distance) C4'-P energy: -78.530
bonds (distance) P-C4' energy: -82.063
flat angles C4'-P-C4' energy: -92.627
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -73.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -878.943987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.943987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.943987 (E_RNA)
where:
Base-Base interactions energy: -532.289
where: short stacking energy: -239.993
Base-Backbone interact. energy: -2.343
local terms energy: -344.311763
where:
bonds (distance) C4'-P energy: -78.561
bonds (distance) P-C4' energy: -87.750
flat angles C4'-P-C4' energy: -84.283
flat angles P-C4'-P energy: -50.478
tors. eta vs tors. theta energy: -43.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1828.719352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.719352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.719352 (E_RNA)
where:
Base-Base interactions energy: -1291.719
where: short stacking energy: -532.150
Base-Backbone interact. energy: 0.604
local terms energy: -537.604347
where:
bonds (distance) C4'-P energy: -96.234
bonds (distance) P-C4' energy: -112.166
flat angles C4'-P-C4' energy: -110.419
flat angles P-C4'-P energy: -75.311
tors. eta vs tors. theta energy: -143.475
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: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1769.013502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.013502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.013502 (E_RNA)
where:
Base-Base interactions energy: -1237.914
where: short stacking energy: -505.299
Base-Backbone interact. energy: -0.379
local terms energy: -530.720928
where:
bonds (distance) C4'-P energy: -102.224
bonds (distance) P-C4' energy: -96.551
flat angles C4'-P-C4' energy: -108.550
flat angles P-C4'-P energy: -78.765
tors. eta vs tors. theta energy: -144.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1707.449747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.449747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.449747 (E_RNA)
where:
Base-Base interactions energy: -1213.898
where: short stacking energy: -505.471
Base-Backbone interact. energy: -1.332
local terms energy: -492.219339
where:
bonds (distance) C4'-P energy: -82.899
bonds (distance) P-C4' energy: -95.814
flat angles C4'-P-C4' energy: -108.647
flat angles P-C4'-P energy: -72.330
tors. eta vs tors. theta energy: -132.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1689.920947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.920947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.920947 (E_RNA)
where:
Base-Base interactions energy: -1205.755
where: short stacking energy: -508.155
Base-Backbone interact. energy: -0.084
local terms energy: -484.081788
where:
bonds (distance) C4'-P energy: -75.138
bonds (distance) P-C4' energy: -95.042
flat angles C4'-P-C4' energy: -100.260
flat angles P-C4'-P energy: -64.814
tors. eta vs tors. theta energy: -148.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1589.206138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.206138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.206138 (E_RNA)
where:
Base-Base interactions energy: -1134.610
where: short stacking energy: -474.939
Base-Backbone interact. energy: -2.225
local terms energy: -452.371824
where:
bonds (distance) C4'-P energy: -84.909
bonds (distance) P-C4' energy: -78.784
flat angles C4'-P-C4' energy: -97.548
flat angles P-C4'-P energy: -52.049
tors. eta vs tors. theta energy: -139.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1605.526206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.526206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.526206 (E_RNA)
where:
Base-Base interactions energy: -1141.994
where: short stacking energy: -474.668
Base-Backbone interact. energy: -0.847
local terms energy: -462.685707
where:
bonds (distance) C4'-P energy: -73.189
bonds (distance) P-C4' energy: -82.174
flat angles C4'-P-C4' energy: -96.352
flat angles P-C4'-P energy: -74.389
tors. eta vs tors. theta energy: -136.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1482.578649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.578649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.578649 (E_RNA)
where:
Base-Base interactions energy: -1059.389
where: short stacking energy: -440.105
Base-Backbone interact. energy: 2.905
local terms energy: -426.094723
where:
bonds (distance) C4'-P energy: -76.023
bonds (distance) P-C4' energy: -73.669
flat angles C4'-P-C4' energy: -92.960
flat angles P-C4'-P energy: -62.507
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: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1082.407765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.407765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.407765 (E_RNA)
where:
Base-Base interactions energy: -693.585
where: short stacking energy: -308.774
Base-Backbone interact. energy: -1.062
local terms energy: -387.760766
where:
bonds (distance) C4'-P energy: -88.522
bonds (distance) P-C4' energy: -89.837
flat angles C4'-P-C4' energy: -78.546
flat angles P-C4'-P energy: -63.877
tors. eta vs tors. theta energy: -66.978
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: 478
Temperature: 1.300000
Total energy: -1093.341182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.341182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.341182 (E_RNA)
where:
Base-Base interactions energy: -735.343
where: short stacking energy: -341.714
Base-Backbone interact. energy: 0.557
local terms energy: -358.555323
where:
bonds (distance) C4'-P energy: -67.908
bonds (distance) P-C4' energy: -82.348
flat angles C4'-P-C4' energy: -86.767
flat angles P-C4'-P energy: -52.259
tors. eta vs tors. theta energy: -69.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -865.790059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.790059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.790059 (E_RNA)
where:
Base-Base interactions energy: -564.448
where: short stacking energy: -258.224
Base-Backbone interact. energy: 4.724
local terms energy: -306.066300
where:
bonds (distance) C4'-P energy: -69.207
bonds (distance) P-C4' energy: -77.051
flat angles C4'-P-C4' energy: -79.741
flat angles P-C4'-P energy: -43.062
tors. eta vs tors. theta energy: -37.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1827.055257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.055257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.055257 (E_RNA)
where:
Base-Base interactions energy: -1299.373
where: short stacking energy: -524.718
Base-Backbone interact. energy: -1.584
local terms energy: -526.097960
where:
bonds (distance) C4'-P energy: -89.755
bonds (distance) P-C4' energy: -99.236
flat angles C4'-P-C4' energy: -118.102
flat angles P-C4'-P energy: -79.448
tors. eta vs tors. theta energy: -139.557
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: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1792.084812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.084812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.084812 (E_RNA)
where:
Base-Base interactions energy: -1276.846
where: short stacking energy: -539.823
Base-Backbone interact. energy: -1.318
local terms energy: -513.920966
where:
bonds (distance) C4'-P energy: -97.311
bonds (distance) P-C4' energy: -91.913
flat angles C4'-P-C4' energy: -105.726
flat angles P-C4'-P energy: -69.392
tors. eta vs tors. theta energy: -149.578
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: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1752.545948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.545948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.545948 (E_RNA)
where:
Base-Base interactions energy: -1213.010
where: short stacking energy: -501.654
Base-Backbone interact. energy: 0.296
local terms energy: -539.831417
where:
bonds (distance) C4'-P energy: -96.785
bonds (distance) P-C4' energy: -93.743
flat angles C4'-P-C4' energy: -115.711
flat angles P-C4'-P energy: -83.647
tors. eta vs tors. theta energy: -149.946
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: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1684.982238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.982238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.982238 (E_RNA)
where:
Base-Base interactions energy: -1200.620
where: short stacking energy: -494.570
Base-Backbone interact. energy: 1.336
local terms energy: -485.697609
where:
bonds (distance) C4'-P energy: -88.668
bonds (distance) P-C4' energy: -96.725
flat angles C4'-P-C4' energy: -99.602
flat angles P-C4'-P energy: -60.502
tors. eta vs tors. theta energy: -140.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1649.386106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.386106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.386106 (E_RNA)
where:
Base-Base interactions energy: -1154.654
where: short stacking energy: -469.557
Base-Backbone interact. energy: 0.296
local terms energy: -495.027903
where:
bonds (distance) C4'-P energy: -81.276
bonds (distance) P-C4' energy: -102.282
flat angles C4'-P-C4' energy: -95.559
flat angles P-C4'-P energy: -76.782
tors. eta vs tors. theta energy: -139.129
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: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1591.624745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.624745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.624745 (E_RNA)
where:
Base-Base interactions energy: -1113.172
where: short stacking energy: -476.114
Base-Backbone interact. energy: -0.338
local terms energy: -478.114706
where:
bonds (distance) C4'-P energy: -89.760
bonds (distance) P-C4' energy: -87.710
flat angles C4'-P-C4' energy: -96.961
flat angles P-C4'-P energy: -65.846
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: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1493.906538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.906538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.906538 (E_RNA)
where:
Base-Base interactions energy: -1032.728
where: short stacking energy: -435.039
Base-Backbone interact. energy: -0.842
local terms energy: -460.336481
where:
bonds (distance) C4'-P energy: -92.177
bonds (distance) P-C4' energy: -90.517
flat angles C4'-P-C4' energy: -93.682
flat angles P-C4'-P energy: -62.485
tors. eta vs tors. theta energy: -121.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1133.736388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.736388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.736388 (E_RNA)
where:
Base-Base interactions energy: -746.979
where: short stacking energy: -349.690
Base-Backbone interact. energy: -1.740
local terms energy: -385.017539
where:
bonds (distance) C4'-P energy: -78.119
bonds (distance) P-C4' energy: -97.693
flat angles C4'-P-C4' energy: -79.261
flat angles P-C4'-P energy: -45.760
tors. eta vs tors. theta energy: -84.185
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: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1018.441796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.441796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.441796 (E_RNA)
where:
Base-Base interactions energy: -678.467
where: short stacking energy: -279.399
Base-Backbone interact. energy: -2.524
local terms energy: -337.451007
where:
bonds (distance) C4'-P energy: -58.350
bonds (distance) P-C4' energy: -83.499
flat angles C4'-P-C4' energy: -77.434
flat angles P-C4'-P energy: -50.086
tors. eta vs tors. theta energy: -68.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -855.644308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.644308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.644308 (E_RNA)
where:
Base-Base interactions energy: -526.569
where: short stacking energy: -263.723
Base-Backbone interact. energy: -1.659
local terms energy: -327.415420
where:
bonds (distance) C4'-P energy: -81.488
bonds (distance) P-C4' energy: -78.849
flat angles C4'-P-C4' energy: -74.046
flat angles P-C4'-P energy: -43.823
tors. eta vs tors. theta energy: -49.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1814.583436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.583436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.583436 (E_RNA)
where:
Base-Base interactions energy: -1285.937
where: short stacking energy: -537.864
Base-Backbone interact. energy: -3.528
local terms energy: -525.118335
where:
bonds (distance) C4'-P energy: -91.292
bonds (distance) P-C4' energy: -87.775
flat angles C4'-P-C4' energy: -105.182
flat angles P-C4'-P energy: -86.929
tors. eta vs tors. theta energy: -153.940
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: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1773.337712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.337712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.337712 (E_RNA)
where:
Base-Base interactions energy: -1239.541
where: short stacking energy: -516.898
Base-Backbone interact. energy: -2.505
local terms energy: -531.291643
where:
bonds (distance) C4'-P energy: -99.042
bonds (distance) P-C4' energy: -109.322
flat angles C4'-P-C4' energy: -99.033
flat angles P-C4'-P energy: -78.439
tors. eta vs tors. theta energy: -145.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1728.221915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.221915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.221915 (E_RNA)
where:
Base-Base interactions energy: -1193.345
where: short stacking energy: -488.305
Base-Backbone interact. energy: -0.439
local terms energy: -534.437686
where:
bonds (distance) C4'-P energy: -100.518
bonds (distance) P-C4' energy: -99.709
flat angles C4'-P-C4' energy: -105.548
flat angles P-C4'-P energy: -81.130
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: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1704.392295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.392295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.392295 (E_RNA)
where:
Base-Base interactions energy: -1221.587
where: short stacking energy: -519.832
Base-Backbone interact. energy: -1.820
local terms energy: -480.984704
where:
bonds (distance) C4'-P energy: -79.050
bonds (distance) P-C4' energy: -85.843
flat angles C4'-P-C4' energy: -111.193
flat angles P-C4'-P energy: -63.895
tors. eta vs tors. theta energy: -141.004
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: 480
Temperature: 1.100000
Total energy: -1674.612280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.612280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.612280 (E_RNA)
where:
Base-Base interactions energy: -1198.973
where: short stacking energy: -482.634
Base-Backbone interact. energy: 0.549
local terms energy: -476.187613
where:
bonds (distance) C4'-P energy: -80.098
bonds (distance) P-C4' energy: -86.550
flat angles C4'-P-C4' energy: -101.538
flat angles P-C4'-P energy: -69.650
tors. eta vs tors. theta energy: -138.352
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: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1569.895642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.895642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.895642 (E_RNA)
where:
Base-Base interactions energy: -1084.885
where: short stacking energy: -443.167
Base-Backbone interact. energy: -2.180
local terms energy: -482.830703
where:
bonds (distance) C4'-P energy: -87.278
bonds (distance) P-C4' energy: -86.978
flat angles C4'-P-C4' energy: -110.636
flat angles P-C4'-P energy: -70.688
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: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1458.592284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.592284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.592284 (E_RNA)
where:
Base-Base interactions energy: -993.814
where: short stacking energy: -404.770
Base-Backbone interact. energy: -2.398
local terms energy: -462.380320
where:
bonds (distance) C4'-P energy: -84.846
bonds (distance) P-C4' energy: -92.545
flat angles C4'-P-C4' energy: -110.049
flat angles P-C4'-P energy: -61.325
tors. eta vs tors. theta energy: -113.615
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: 9
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1147.670577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.670577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.670577 (E_RNA)
where:
Base-Base interactions energy: -777.489
where: short stacking energy: -337.312
Base-Backbone interact. energy: 0.385
local terms energy: -370.566562
where:
bonds (distance) C4'-P energy: -84.316
bonds (distance) P-C4' energy: -76.299
flat angles C4'-P-C4' energy: -88.818
flat angles P-C4'-P energy: -45.062
tors. eta vs tors. theta energy: -76.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -999.676559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.676559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.676559 (E_RNA)
where:
Base-Base interactions energy: -656.156
where: short stacking energy: -272.523
Base-Backbone interact. energy: 3.979
local terms energy: -347.499263
where:
bonds (distance) C4'-P energy: -68.548
bonds (distance) P-C4' energy: -76.165
flat angles C4'-P-C4' energy: -85.202
flat angles P-C4'-P energy: -62.473
tors. eta vs tors. theta energy: -55.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -745.074308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.074308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.074308 (E_RNA)
where:
Base-Base interactions energy: -436.424
where: short stacking energy: -185.806
Base-Backbone interact. energy: 0.465
local terms energy: -309.115185
where:
bonds (distance) C4'-P energy: -85.565
bonds (distance) P-C4' energy: -82.985
flat angles C4'-P-C4' energy: -74.160
flat angles P-C4'-P energy: -43.576
tors. eta vs tors. theta energy: -22.829
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: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1818.973980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.973980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.973980 (E_RNA)
where:
Base-Base interactions energy: -1293.647
where: short stacking energy: -542.553
Base-Backbone interact. energy: -3.071
local terms energy: -522.255227
where:
bonds (distance) C4'-P energy: -81.073
bonds (distance) P-C4' energy: -98.309
flat angles C4'-P-C4' energy: -112.222
flat angles P-C4'-P energy: -76.236
tors. eta vs tors. theta energy: -154.414
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: 6
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1767.159554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.159554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.159554 (E_RNA)
where:
Base-Base interactions energy: -1252.049
where: short stacking energy: -521.342
Base-Backbone interact. energy: -1.208
local terms energy: -513.902431
where:
bonds (distance) C4'-P energy: -91.362
bonds (distance) P-C4' energy: -90.300
flat angles C4'-P-C4' energy: -111.754
flat angles P-C4'-P energy: -80.239
tors. eta vs tors. theta energy: -140.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1721.832511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.832511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.832511 (E_RNA)
where:
Base-Base interactions energy: -1216.554
where: short stacking energy: -523.949
Base-Backbone interact. energy: -2.928
local terms energy: -502.350633
where:
bonds (distance) C4'-P energy: -87.889
bonds (distance) P-C4' energy: -95.657
flat angles C4'-P-C4' energy: -101.239
flat angles P-C4'-P energy: -68.655
tors. eta vs tors. theta energy: -148.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1709.625587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.625587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.625587 (E_RNA)
where:
Base-Base interactions energy: -1193.385
where: short stacking energy: -489.544
Base-Backbone interact. energy: -2.788
local terms energy: -513.452512
where:
bonds (distance) C4'-P energy: -89.796
bonds (distance) P-C4' energy: -103.776
flat angles C4'-P-C4' energy: -105.754
flat angles P-C4'-P energy: -80.068
tors. eta vs tors. theta energy: -134.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1666.531889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.531889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.531889 (E_RNA)
where:
Base-Base interactions energy: -1177.790
where: short stacking energy: -476.548
Base-Backbone interact. energy: -2.301
local terms energy: -486.440798
where:
bonds (distance) C4'-P energy: -84.659
bonds (distance) P-C4' energy: -93.281
flat angles C4'-P-C4' energy: -102.925
flat angles P-C4'-P energy: -71.179
tors. eta vs tors. theta energy: -134.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1584.575068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.575068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.575068 (E_RNA)
where:
Base-Base interactions energy: -1095.091
where: short stacking energy: -458.071
Base-Backbone interact. energy: -3.209
local terms energy: -486.275070
where:
bonds (distance) C4'-P energy: -86.068
bonds (distance) P-C4' energy: -89.606
flat angles C4'-P-C4' energy: -106.089
flat angles P-C4'-P energy: -71.144
tors. eta vs tors. theta energy: -133.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1473.187680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.187680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.187680 (E_RNA)
where:
Base-Base interactions energy: -1032.999
where: short stacking energy: -440.335
Base-Backbone interact. energy: 1.569
local terms energy: -441.757510
where:
bonds (distance) C4'-P energy: -88.591
bonds (distance) P-C4' energy: -78.541
flat angles C4'-P-C4' energy: -91.452
flat angles P-C4'-P energy: -58.098
tors. eta vs tors. theta energy: -125.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1181.924210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.924210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.924210 (E_RNA)
where:
Base-Base interactions energy: -792.837
where: short stacking energy: -355.211
Base-Backbone interact. energy: -1.446
local terms energy: -387.640913
where:
bonds (distance) C4'-P energy: -79.704
bonds (distance) P-C4' energy: -73.585
flat angles C4'-P-C4' energy: -91.869
flat angles P-C4'-P energy: -63.187
tors. eta vs tors. theta energy: -79.296
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: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1007.450617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.450617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.450617 (E_RNA)
where:
Base-Base interactions energy: -672.709
where: short stacking energy: -287.262
Base-Backbone interact. energy: -2.481
local terms energy: -332.260523
where:
bonds (distance) C4'-P energy: -67.207
bonds (distance) P-C4' energy: -75.915
flat angles C4'-P-C4' energy: -79.345
flat angles P-C4'-P energy: -46.987
tors. eta vs tors. theta energy: -62.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -767.804918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.804918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.804918 (E_RNA)
where:
Base-Base interactions energy: -455.036
where: short stacking energy: -199.187
Base-Backbone interact. energy: -1.158
local terms energy: -311.611461
where:
bonds (distance) C4'-P energy: -83.704
bonds (distance) P-C4' energy: -93.724
flat angles C4'-P-C4' energy: -63.698
flat angles P-C4'-P energy: -57.466
tors. eta vs tors. theta energy: -13.019
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: 6
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1817.086796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.086796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.086796 (E_RNA)
where:
Base-Base interactions energy: -1289.009
where: short stacking energy: -530.829
Base-Backbone interact. energy: -1.160
local terms energy: -526.917036
where:
bonds (distance) C4'-P energy: -85.531
bonds (distance) P-C4' energy: -98.761
flat angles C4'-P-C4' energy: -123.385
flat angles P-C4'-P energy: -74.011
tors. eta vs tors. theta energy: -145.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1770.612100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.612100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.612100 (E_RNA)
where:
Base-Base interactions energy: -1230.702
where: short stacking energy: -524.821
Base-Backbone interact. energy: -3.657
local terms energy: -536.253674
where:
bonds (distance) C4'-P energy: -93.620
bonds (distance) P-C4' energy: -93.547
flat angles C4'-P-C4' energy: -109.478
flat angles P-C4'-P energy: -86.029
tors. eta vs tors. theta energy: -153.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1728.933221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.933221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.933221 (E_RNA)
where:
Base-Base interactions energy: -1226.982
where: short stacking energy: -494.257
Base-Backbone interact. energy: -1.934
local terms energy: -500.017249
where:
bonds (distance) C4'-P energy: -82.342
bonds (distance) P-C4' energy: -88.804
flat angles C4'-P-C4' energy: -110.803
flat angles P-C4'-P energy: -76.558
tors. eta vs tors. theta energy: -141.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1695.612187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.612187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.612187 (E_RNA)
where:
Base-Base interactions energy: -1190.868
where: short stacking energy: -495.955
Base-Backbone interact. energy: -0.204
local terms energy: -504.540505
where:
bonds (distance) C4'-P energy: -96.248
bonds (distance) P-C4' energy: -95.703
flat angles C4'-P-C4' energy: -109.793
flat angles P-C4'-P energy: -54.770
tors. eta vs tors. theta energy: -148.026
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: 5, replica: 2
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1652.547615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.547615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.547615 (E_RNA)
where:
Base-Base interactions energy: -1163.139
where: short stacking energy: -476.330
Base-Backbone interact. energy: 0.832
local terms energy: -490.240398
where:
bonds (distance) C4'-P energy: -84.779
bonds (distance) P-C4' energy: -102.461
flat angles C4'-P-C4' energy: -110.107
flat angles P-C4'-P energy: -60.940
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: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1591.440675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.440675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.440675 (E_RNA)
where:
Base-Base interactions energy: -1115.420
where: short stacking energy: -455.312
Base-Backbone interact. energy: 0.496
local terms energy: -476.516796
where:
bonds (distance) C4'-P energy: -82.718
bonds (distance) P-C4' energy: -93.403
flat angles C4'-P-C4' energy: -106.412
flat angles P-C4'-P energy: -66.846
tors. eta vs tors. theta energy: -127.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1444.457919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.457919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.457919 (E_RNA)
where:
Base-Base interactions energy: -1003.249
where: short stacking energy: -415.706
Base-Backbone interact. energy: 2.550
local terms energy: -443.758835
where:
bonds (distance) C4'-P energy: -82.323
bonds (distance) P-C4' energy: -76.077
flat angles C4'-P-C4' energy: -100.149
flat angles P-C4'-P energy: -71.556
tors. eta vs tors. theta energy: -113.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1179.234333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.234333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.234333 (E_RNA)
where:
Base-Base interactions energy: -796.585
where: short stacking energy: -363.241
Base-Backbone interact. energy: -0.729
local terms energy: -381.920535
where:
bonds (distance) C4'-P energy: -64.612
bonds (distance) P-C4' energy: -89.267
flat angles C4'-P-C4' energy: -88.581
flat angles P-C4'-P energy: -55.118
tors. eta vs tors. theta energy: -84.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1048.335977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.335977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.335977 (E_RNA)
where:
Base-Base interactions energy: -685.402
where: short stacking energy: -317.107
Base-Backbone interact. energy: -1.725
local terms energy: -361.208873
where:
bonds (distance) C4'-P energy: -82.055
bonds (distance) P-C4' energy: -77.288
flat angles C4'-P-C4' energy: -73.171
flat angles P-C4'-P energy: -60.065
tors. eta vs tors. theta energy: -68.629
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: 10, replica: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -737.277624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.277624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.277624 (E_RNA)
where:
Base-Base interactions energy: -429.523
where: short stacking energy: -188.945
Base-Backbone interact. energy: -1.935
local terms energy: -305.819315
where:
bonds (distance) C4'-P energy: -84.950
bonds (distance) P-C4' energy: -80.683
flat angles C4'-P-C4' energy: -72.857
flat angles P-C4'-P energy: -47.876
tors. eta vs tors. theta energy: -19.454
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: 6
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1812.309543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.309543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.309543 (E_RNA)
where:
Base-Base interactions energy: -1272.839
where: short stacking energy: -517.729
Base-Backbone interact. energy: -3.253
local terms energy: -536.217620
where:
bonds (distance) C4'-P energy: -88.427
bonds (distance) P-C4' energy: -104.577
flat angles C4'-P-C4' energy: -113.542
flat angles P-C4'-P energy: -87.764
tors. eta vs tors. theta energy: -141.908
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: 2, replica: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1784.234178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.234178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.234178 (E_RNA)
where:
Base-Base interactions energy: -1266.626
where: short stacking energy: -522.922
Base-Backbone interact. energy: -2.715
local terms energy: -514.893059
where:
bonds (distance) C4'-P energy: -81.395
bonds (distance) P-C4' energy: -94.269
flat angles C4'-P-C4' energy: -115.684
flat angles P-C4'-P energy: -77.309
tors. eta vs tors. theta energy: -146.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1778.735732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.735732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.735732 (E_RNA)
where:
Base-Base interactions energy: -1235.024
where: short stacking energy: -501.885
Base-Backbone interact. energy: -0.525
local terms energy: -543.187379
where:
bonds (distance) C4'-P energy: -97.263
bonds (distance) P-C4' energy: -96.375
flat angles C4'-P-C4' energy: -110.472
flat angles P-C4'-P energy: -87.783
tors. eta vs tors. theta energy: -151.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1729.956066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.956066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.956066 (E_RNA)
where:
Base-Base interactions energy: -1210.352
where: short stacking energy: -514.046
Base-Backbone interact. energy: -0.976
local terms energy: -518.628376
where:
bonds (distance) C4'-P energy: -92.791
bonds (distance) P-C4' energy: -88.502
flat angles C4'-P-C4' energy: -109.188
flat angles P-C4'-P energy: -75.773
tors. eta vs tors. theta energy: -152.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1642.429535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.429535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.429535 (E_RNA)
where:
Base-Base interactions energy: -1164.729
where: short stacking energy: -483.361
Base-Backbone interact. energy: -0.834
local terms energy: -476.866642
where:
bonds (distance) C4'-P energy: -78.889
bonds (distance) P-C4' energy: -77.295
flat angles C4'-P-C4' energy: -113.709
flat angles P-C4'-P energy: -66.972
tors. eta vs tors. theta energy: -140.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1523.895615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.895615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.895615 (E_RNA)
where:
Base-Base interactions energy: -1061.484
where: short stacking energy: -459.352
Base-Backbone interact. energy: -1.258
local terms energy: -461.154131
where:
bonds (distance) C4'-P energy: -81.669
bonds (distance) P-C4' energy: -89.354
flat angles C4'-P-C4' energy: -103.735
flat angles P-C4'-P energy: -53.527
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: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1509.247408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.247408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.247408 (E_RNA)
where:
Base-Base interactions energy: -1046.483
where: short stacking energy: -459.899
Base-Backbone interact. energy: -1.758
local terms energy: -461.006827
where:
bonds (distance) C4'-P energy: -89.767
bonds (distance) P-C4' energy: -78.379
flat angles C4'-P-C4' energy: -95.980
flat angles P-C4'-P energy: -72.199
tors. eta vs tors. theta energy: -124.682
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: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1122.710329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.710329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.710329 (E_RNA)
where:
Base-Base interactions energy: -762.477
where: short stacking energy: -316.035
Base-Backbone interact. energy: -2.647
local terms energy: -357.586473
where:
bonds (distance) C4'-P energy: -80.290
bonds (distance) P-C4' energy: -85.822
flat angles C4'-P-C4' energy: -68.420
flat angles P-C4'-P energy: -64.566
tors. eta vs tors. theta energy: -58.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -980.747460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.747460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.747460 (E_RNA)
where:
Base-Base interactions energy: -645.139
where: short stacking energy: -275.593
Base-Backbone interact. energy: 3.649
local terms energy: -339.257392
where:
bonds (distance) C4'-P energy: -90.679
bonds (distance) P-C4' energy: -74.353
flat angles C4'-P-C4' energy: -70.268
flat angles P-C4'-P energy: -53.927
tors. eta vs tors. theta energy: -50.030
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: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -723.255271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.255271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.255271 (E_RNA)
where:
Base-Base interactions energy: -455.899
where: short stacking energy: -208.807
Base-Backbone interact. energy: 5.957
local terms energy: -273.313194
where:
bonds (distance) C4'-P energy: -64.335
bonds (distance) P-C4' energy: -71.358
flat angles C4'-P-C4' energy: -63.665
flat angles P-C4'-P energy: -50.886
tors. eta vs tors. theta energy: -23.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1824.025764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.025764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.025764 (E_RNA)
where:
Base-Base interactions energy: -1287.428
where: short stacking energy: -544.963
Base-Backbone interact. energy: -1.501
local terms energy: -535.097567
where:
bonds (distance) C4'-P energy: -95.872
bonds (distance) P-C4' energy: -91.426
flat angles C4'-P-C4' energy: -117.150
flat angles P-C4'-P energy: -71.859
tors. eta vs tors. theta energy: -158.791
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: 6
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1764.911664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.911664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.911664 (E_RNA)
where:
Base-Base interactions energy: -1249.000
where: short stacking energy: -499.699
Base-Backbone interact. energy: -0.996
local terms energy: -514.916416
where:
bonds (distance) C4'-P energy: -99.311
bonds (distance) P-C4' energy: -86.037
flat angles C4'-P-C4' energy: -113.613
flat angles P-C4'-P energy: -79.038
tors. eta vs tors. theta energy: -136.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1772.940475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.940475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.940475 (E_RNA)
where:
Base-Base interactions energy: -1255.613
where: short stacking energy: -506.988
Base-Backbone interact. energy: -2.167
local terms energy: -515.160091
where:
bonds (distance) C4'-P energy: -85.528
bonds (distance) P-C4' energy: -94.647
flat angles C4'-P-C4' energy: -109.716
flat angles P-C4'-P energy: -74.750
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: 10
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1694.532656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.532656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.532656 (E_RNA)
where:
Base-Base interactions energy: -1184.048
where: short stacking energy: -493.827
Base-Backbone interact. energy: -2.022
local terms energy: -508.462240
where:
bonds (distance) C4'-P energy: -93.746
bonds (distance) P-C4' energy: -91.334
flat angles C4'-P-C4' energy: -101.860
flat angles P-C4'-P energy: -70.482
tors. eta vs tors. theta energy: -151.040
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: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1648.373181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.373181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.373181 (E_RNA)
where:
Base-Base interactions energy: -1176.876
where: short stacking energy: -480.640
Base-Backbone interact. energy: -1.667
local terms energy: -469.830188
where:
bonds (distance) C4'-P energy: -87.392
bonds (distance) P-C4' energy: -91.060
flat angles C4'-P-C4' energy: -97.356
flat angles P-C4'-P energy: -57.372
tors. eta vs tors. theta energy: -136.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1484.755650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.755650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.755650 (E_RNA)
where:
Base-Base interactions energy: -1007.390
where: short stacking energy: -428.938
Base-Backbone interact. energy: -0.683
local terms energy: -476.683480
where:
bonds (distance) C4'-P energy: -82.867
bonds (distance) P-C4' energy: -84.524
flat angles C4'-P-C4' energy: -111.529
flat angles P-C4'-P energy: -67.968
tors. eta vs tors. theta energy: -129.795
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: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1485.041518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.041518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.041518 (E_RNA)
where:
Base-Base interactions energy: -1050.769
where: short stacking energy: -437.933
Base-Backbone interact. energy: 0.664
local terms energy: -434.936953
where:
bonds (distance) C4'-P energy: -82.939
bonds (distance) P-C4' energy: -71.829
flat angles C4'-P-C4' energy: -98.313
flat angles P-C4'-P energy: -59.242
tors. eta vs tors. theta energy: -122.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1134.225491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.225491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.225491 (E_RNA)
where:
Base-Base interactions energy: -759.261
where: short stacking energy: -335.092
Base-Backbone interact. energy: -3.763
local terms energy: -371.201444
where:
bonds (distance) C4'-P energy: -84.350
bonds (distance) P-C4' energy: -74.173
flat angles C4'-P-C4' energy: -86.181
flat angles P-C4'-P energy: -51.421
tors. eta vs tors. theta energy: -75.075
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: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -976.238379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.238379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.238379 (E_RNA)
where:
Base-Base interactions energy: -625.760
where: short stacking energy: -285.435
Base-Backbone interact. energy: 1.656
local terms energy: -352.134533
where:
bonds (distance) C4'-P energy: -74.974
bonds (distance) P-C4' energy: -88.064
flat angles C4'-P-C4' energy: -84.825
flat angles P-C4'-P energy: -46.411
tors. eta vs tors. theta energy: -57.859
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: 10, replica: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -769.858763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.858763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.858763 (E_RNA)
where:
Base-Base interactions energy: -455.788
where: short stacking energy: -218.880
Base-Backbone interact. energy: -5.144
local terms energy: -308.926785
where:
bonds (distance) C4'-P energy: -58.261
bonds (distance) P-C4' energy: -84.866
flat angles C4'-P-C4' energy: -78.465
flat angles P-C4'-P energy: -57.812
tors. eta vs tors. theta energy: -29.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1797.399138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.399138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.399138 (E_RNA)
where:
Base-Base interactions energy: -1262.635
where: short stacking energy: -529.582
Base-Backbone interact. energy: -2.153
local terms energy: -532.611538
where:
bonds (distance) C4'-P energy: -89.575
bonds (distance) P-C4' energy: -99.463
flat angles C4'-P-C4' energy: -109.366
flat angles P-C4'-P energy: -80.432
tors. eta vs tors. theta energy: -153.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1790.519393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.519393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.519393 (E_RNA)
where:
Base-Base interactions energy: -1271.526
where: short stacking energy: -515.469
Base-Backbone interact. energy: -2.157
local terms energy: -516.835896
where:
bonds (distance) C4'-P energy: -91.519
bonds (distance) P-C4' energy: -91.979
flat angles C4'-P-C4' energy: -101.820
flat angles P-C4'-P energy: -84.407
tors. eta vs tors. theta energy: -147.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1749.948464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.948464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.948464 (E_RNA)
where:
Base-Base interactions energy: -1227.110
where: short stacking energy: -504.505
Base-Backbone interact. energy: -0.627
local terms energy: -522.211774
where:
bonds (distance) C4'-P energy: -92.788
bonds (distance) P-C4' energy: -93.253
flat angles C4'-P-C4' energy: -106.354
flat angles P-C4'-P energy: -78.791
tors. eta vs tors. theta energy: -151.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1702.681574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.681574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.681574 (E_RNA)
where:
Base-Base interactions energy: -1212.373
where: short stacking energy: -493.379
Base-Backbone interact. energy: 1.872
local terms energy: -492.180062
where:
bonds (distance) C4'-P energy: -80.353
bonds (distance) P-C4' energy: -99.339
flat angles C4'-P-C4' energy: -113.057
flat angles P-C4'-P energy: -50.376
tors. eta vs tors. theta energy: -149.056
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: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1653.523855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.523855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.523855 (E_RNA)
where:
Base-Base interactions energy: -1157.764
where: short stacking energy: -462.687
Base-Backbone interact. energy: 1.717
local terms energy: -497.475866
where:
bonds (distance) C4'-P energy: -94.674
bonds (distance) P-C4' energy: -87.918
flat angles C4'-P-C4' energy: -108.873
flat angles P-C4'-P energy: -72.023
tors. eta vs tors. theta energy: -133.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1561.133770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.133770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.133770 (E_RNA)
where:
Base-Base interactions energy: -1112.350
where: short stacking energy: -468.578
Base-Backbone interact. energy: -1.089
local terms energy: -447.695293
where:
bonds (distance) C4'-P energy: -89.624
bonds (distance) P-C4' energy: -76.528
flat angles C4'-P-C4' energy: -90.524
flat angles P-C4'-P energy: -52.318
tors. eta vs tors. theta energy: -138.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1466.080252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.080252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.080252 (E_RNA)
where:
Base-Base interactions energy: -1019.995
where: short stacking energy: -412.771
Base-Backbone interact. energy: -1.228
local terms energy: -444.857487
where:
bonds (distance) C4'-P energy: -64.453
bonds (distance) P-C4' energy: -102.512
flat angles C4'-P-C4' energy: -102.300
flat angles P-C4'-P energy: -59.664
tors. eta vs tors. theta energy: -115.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1079.844758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.844758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.844758 (E_RNA)
where:
Base-Base interactions energy: -709.294
where: short stacking energy: -313.969
Base-Backbone interact. energy: 1.153
local terms energy: -371.703124
where:
bonds (distance) C4'-P energy: -90.165
bonds (distance) P-C4' energy: -87.623
flat angles C4'-P-C4' energy: -75.783
flat angles P-C4'-P energy: -47.300
tors. eta vs tors. theta energy: -70.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1016.824971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.824971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.824971 (E_RNA)
where:
Base-Base interactions energy: -647.514
where: short stacking energy: -300.304
Base-Backbone interact. energy: 1.183
local terms energy: -370.493929
where:
bonds (distance) C4'-P energy: -76.460
bonds (distance) P-C4' energy: -80.277
flat angles C4'-P-C4' energy: -78.365
flat angles P-C4'-P energy: -49.842
tors. eta vs tors. theta energy: -85.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -784.913063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.913063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.913063 (E_RNA)
where:
Base-Base interactions energy: -501.062
where: short stacking energy: -234.260
Base-Backbone interact. energy: 0.053
local terms energy: -283.903778
where:
bonds (distance) C4'-P energy: -55.561
bonds (distance) P-C4' energy: -77.845
flat angles C4'-P-C4' energy: -85.219
flat angles P-C4'-P energy: -44.031
tors. eta vs tors. theta energy: -21.248
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: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1815.467282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.467282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.467282 (E_RNA)
where:
Base-Base interactions energy: -1272.966
where: short stacking energy: -533.320
Base-Backbone interact. energy: -2.057
local terms energy: -540.444214
where:
bonds (distance) C4'-P energy: -92.947
bonds (distance) P-C4' energy: -93.730
flat angles C4'-P-C4' energy: -115.331
flat angles P-C4'-P energy: -86.060
tors. eta vs tors. theta energy: -152.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1783.205715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.205715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.205715 (E_RNA)
where:
Base-Base interactions energy: -1288.261
where: short stacking energy: -507.577
Base-Backbone interact. energy: -0.688
local terms energy: -494.256364
where:
bonds (distance) C4'-P energy: -86.661
bonds (distance) P-C4' energy: -86.324
flat angles C4'-P-C4' energy: -105.789
flat angles P-C4'-P energy: -74.147
tors. eta vs tors. theta energy: -141.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1732.907469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.907469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.907469 (E_RNA)
where:
Base-Base interactions energy: -1243.680
where: short stacking energy: -491.935
Base-Backbone interact. energy: -0.400
local terms energy: -488.827583
where:
bonds (distance) C4'-P energy: -93.441
bonds (distance) P-C4' energy: -83.928
flat angles C4'-P-C4' energy: -99.373
flat angles P-C4'-P energy: -67.566
tors. eta vs tors. theta energy: -144.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1710.457294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.457294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.457294 (E_RNA)
where:
Base-Base interactions energy: -1201.987
where: short stacking energy: -505.351
Base-Backbone interact. energy: -2.573
local terms energy: -505.897034
where:
bonds (distance) C4'-P energy: -94.694
bonds (distance) P-C4' energy: -88.641
flat angles C4'-P-C4' energy: -106.301
flat angles P-C4'-P energy: -81.245
tors. eta vs tors. theta energy: -135.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1641.397407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.397407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.397407 (E_RNA)
where:
Base-Base interactions energy: -1150.571
where: short stacking energy: -463.718
Base-Backbone interact. energy: -1.690
local terms energy: -489.136811
where:
bonds (distance) C4'-P energy: -83.595
bonds (distance) P-C4' energy: -86.910
flat angles C4'-P-C4' energy: -102.360
flat angles P-C4'-P energy: -73.216
tors. eta vs tors. theta energy: -143.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1555.321608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.321608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.321608 (E_RNA)
where:
Base-Base interactions energy: -1095.486
where: short stacking energy: -455.880
Base-Backbone interact. energy: -1.661
local terms energy: -458.174308
where:
bonds (distance) C4'-P energy: -98.882
bonds (distance) P-C4' energy: -83.500
flat angles C4'-P-C4' energy: -81.128
flat angles P-C4'-P energy: -70.265
tors. eta vs tors. theta energy: -124.399
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: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1419.308892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.308892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.308892 (E_RNA)
where:
Base-Base interactions energy: -979.316
where: short stacking energy: -410.657
Base-Backbone interact. energy: -1.281
local terms energy: -438.711832
where:
bonds (distance) C4'-P energy: -91.883
bonds (distance) P-C4' energy: -72.353
flat angles C4'-P-C4' energy: -95.542
flat angles P-C4'-P energy: -64.308
tors. eta vs tors. theta energy: -114.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1157.853824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.853824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.853824 (E_RNA)
where:
Base-Base interactions energy: -772.462
where: short stacking energy: -356.614
Base-Backbone interact. energy: 2.248
local terms energy: -387.639036
where:
bonds (distance) C4'-P energy: -60.701
bonds (distance) P-C4' energy: -82.821
flat angles C4'-P-C4' energy: -87.714
flat angles P-C4'-P energy: -62.472
tors. eta vs tors. theta energy: -93.932
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: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1034.844543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.844543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.844543 (E_RNA)
where:
Base-Base interactions energy: -668.482
where: short stacking energy: -298.773
Base-Backbone interact. energy: -0.404
local terms energy: -365.958667
where:
bonds (distance) C4'-P energy: -82.933
bonds (distance) P-C4' energy: -86.004
flat angles C4'-P-C4' energy: -71.219
flat angles P-C4'-P energy: -50.910
tors. eta vs tors. theta energy: -74.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -776.535006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.535006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.535006 (E_RNA)
where:
Base-Base interactions energy: -478.045
where: short stacking energy: -207.571
Base-Backbone interact. energy: 1.944
local terms energy: -300.434379
where:
bonds (distance) C4'-P energy: -76.866
bonds (distance) P-C4' energy: -88.558
flat angles C4'-P-C4' energy: -69.151
flat angles P-C4'-P energy: -45.997
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1805.226159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.226159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.226159 (E_RNA)
where:
Base-Base interactions energy: -1266.522
where: short stacking energy: -520.815
Base-Backbone interact. energy: -0.053
local terms energy: -538.651008
where:
bonds (distance) C4'-P energy: -105.034
bonds (distance) P-C4' energy: -97.528
flat angles C4'-P-C4' energy: -107.016
flat angles P-C4'-P energy: -83.716
tors. eta vs tors. theta energy: -145.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1764.037567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.037567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.037567 (E_RNA)
where:
Base-Base interactions energy: -1246.155
where: short stacking energy: -517.148
Base-Backbone interact. energy: -3.581
local terms energy: -514.300790
where:
bonds (distance) C4'-P energy: -94.387
bonds (distance) P-C4' energy: -80.997
flat angles C4'-P-C4' energy: -112.395
flat angles P-C4'-P energy: -78.498
tors. eta vs tors. theta energy: -148.024
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: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1725.130450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.130450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.130450 (E_RNA)
where:
Base-Base interactions energy: -1221.795
where: short stacking energy: -502.192
Base-Backbone interact. energy: -0.270
local terms energy: -503.065984
where:
bonds (distance) C4'-P energy: -86.159
bonds (distance) P-C4' energy: -96.486
flat angles C4'-P-C4' energy: -115.320
flat angles P-C4'-P energy: -62.532
tors. eta vs tors. theta energy: -142.569
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: 487
Temperature: 1.050000
Total energy: -1670.951370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.951370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.951370 (E_RNA)
where:
Base-Base interactions energy: -1182.471
where: short stacking energy: -499.104
Base-Backbone interact. energy: 0.434
local terms energy: -488.913980
where:
bonds (distance) C4'-P energy: -83.521
bonds (distance) P-C4' energy: -91.202
flat angles C4'-P-C4' energy: -95.306
flat angles P-C4'-P energy: -78.270
tors. eta vs tors. theta energy: -140.616
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: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1671.845498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.845498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.845498 (E_RNA)
where:
Base-Base interactions energy: -1194.859
where: short stacking energy: -486.482
Base-Backbone interact. energy: -1.440
local terms energy: -475.546382
where:
bonds (distance) C4'-P energy: -70.528
bonds (distance) P-C4' energy: -87.094
flat angles C4'-P-C4' energy: -99.214
flat angles P-C4'-P energy: -78.989
tors. eta vs tors. theta energy: -139.721
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: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1553.204552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.204552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.204552 (E_RNA)
where:
Base-Base interactions energy: -1111.294
where: short stacking energy: -446.901
Base-Backbone interact. energy: -0.794
local terms energy: -441.115831
where:
bonds (distance) C4'-P energy: -70.951
bonds (distance) P-C4' energy: -87.959
flat angles C4'-P-C4' energy: -92.063
flat angles P-C4'-P energy: -70.862
tors. eta vs tors. theta energy: -119.281
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: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1468.104403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.104403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.104403 (E_RNA)
where:
Base-Base interactions energy: -1029.608
where: short stacking energy: -430.401
Base-Backbone interact. energy: 1.131
local terms energy: -439.626923
where:
bonds (distance) C4'-P energy: -78.276
bonds (distance) P-C4' energy: -85.362
flat angles C4'-P-C4' energy: -92.098
flat angles P-C4'-P energy: -58.032
tors. eta vs tors. theta energy: -125.859
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: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1167.700542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.700542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.700542 (E_RNA)
where:
Base-Base interactions energy: -794.963
where: short stacking energy: -344.944
Base-Backbone interact. energy: -0.090
local terms energy: -372.647777
where:
bonds (distance) C4'-P energy: -74.807
bonds (distance) P-C4' energy: -77.649
flat angles C4'-P-C4' energy: -88.762
flat angles P-C4'-P energy: -46.046
tors. eta vs tors. theta energy: -85.385
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: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1046.379469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.379469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.379469 (E_RNA)
where:
Base-Base interactions energy: -710.526
where: short stacking energy: -309.679
Base-Backbone interact. energy: -1.315
local terms energy: -334.537852
where:
bonds (distance) C4'-P energy: -62.354
bonds (distance) P-C4' energy: -68.669
flat angles C4'-P-C4' energy: -73.087
flat angles P-C4'-P energy: -59.446
tors. eta vs tors. theta energy: -70.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -728.982880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.982880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.982880 (E_RNA)
where:
Base-Base interactions energy: -422.498
where: short stacking energy: -216.347
Base-Backbone interact. energy: -2.226
local terms energy: -304.259134
where:
bonds (distance) C4'-P energy: -73.400
bonds (distance) P-C4' energy: -75.354
flat angles C4'-P-C4' energy: -74.839
flat angles P-C4'-P energy: -45.364
tors. eta vs tors. theta energy: -35.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1822.815590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.815590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.815590 (E_RNA)
where:
Base-Base interactions energy: -1297.215
where: short stacking energy: -541.255
Base-Backbone interact. energy: -0.884
local terms energy: -524.716002
where:
bonds (distance) C4'-P energy: -99.271
bonds (distance) P-C4' energy: -78.805
flat angles C4'-P-C4' energy: -112.028
flat angles P-C4'-P energy: -82.772
tors. eta vs tors. theta energy: -151.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1777.656387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.656387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.656387 (E_RNA)
where:
Base-Base interactions energy: -1250.975
where: short stacking energy: -529.295
Base-Backbone interact. energy: -1.484
local terms energy: -525.197501
where:
bonds (distance) C4'-P energy: -92.419
bonds (distance) P-C4' energy: -95.056
flat angles C4'-P-C4' energy: -109.932
flat angles P-C4'-P energy: -76.637
tors. eta vs tors. theta energy: -151.154
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: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1735.003905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.003905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.003905 (E_RNA)
where:
Base-Base interactions energy: -1245.936
where: short stacking energy: -525.975
Base-Backbone interact. energy: -2.193
local terms energy: -486.874461
where:
bonds (distance) C4'-P energy: -75.745
bonds (distance) P-C4' energy: -89.639
flat angles C4'-P-C4' energy: -98.028
flat angles P-C4'-P energy: -73.419
tors. eta vs tors. theta energy: -150.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1684.290451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.290451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.290451 (E_RNA)
where:
Base-Base interactions energy: -1167.158
where: short stacking energy: -494.540
Base-Backbone interact. energy: -2.468
local terms energy: -514.663838
where:
bonds (distance) C4'-P energy: -104.724
bonds (distance) P-C4' energy: -91.429
flat angles C4'-P-C4' energy: -102.125
flat angles P-C4'-P energy: -65.254
tors. eta vs tors. theta energy: -151.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1666.912627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.912627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.912627 (E_RNA)
where:
Base-Base interactions energy: -1165.632
where: short stacking energy: -473.374
Base-Backbone interact. energy: -3.483
local terms energy: -497.797635
where:
bonds (distance) C4'-P energy: -83.418
bonds (distance) P-C4' energy: -94.563
flat angles C4'-P-C4' energy: -96.310
flat angles P-C4'-P energy: -80.547
tors. eta vs tors. theta energy: -142.959
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: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1589.205836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.205836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.205836 (E_RNA)
where:
Base-Base interactions energy: -1134.025
where: short stacking energy: -467.162
Base-Backbone interact. energy: 5.019
local terms energy: -460.200213
where:
bonds (distance) C4'-P energy: -83.434
bonds (distance) P-C4' energy: -84.817
flat angles C4'-P-C4' energy: -97.444
flat angles P-C4'-P energy: -67.680
tors. eta vs tors. theta energy: -126.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1462.450492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.450492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.450492 (E_RNA)
where:
Base-Base interactions energy: -1022.298
where: short stacking energy: -455.869
Base-Backbone interact. energy: -0.973
local terms energy: -439.179883
where:
bonds (distance) C4'-P energy: -83.895
bonds (distance) P-C4' energy: -82.803
flat angles C4'-P-C4' energy: -105.730
flat angles P-C4'-P energy: -53.587
tors. eta vs tors. theta energy: -113.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1191.249187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.249187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.249187 (E_RNA)
where:
Base-Base interactions energy: -790.217
where: short stacking energy: -349.098
Base-Backbone interact. energy: -1.827
local terms energy: -399.205088
where:
bonds (distance) C4'-P energy: -75.440
bonds (distance) P-C4' energy: -90.648
flat angles C4'-P-C4' energy: -96.672
flat angles P-C4'-P energy: -49.390
tors. eta vs tors. theta energy: -87.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1019.472537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.472537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.472537 (E_RNA)
where:
Base-Base interactions energy: -678.479
where: short stacking energy: -287.619
Base-Backbone interact. energy: 1.663
local terms energy: -342.657254
where:
bonds (distance) C4'-P energy: -83.768
bonds (distance) P-C4' energy: -57.766
flat angles C4'-P-C4' energy: -85.092
flat angles P-C4'-P energy: -58.183
tors. eta vs tors. theta energy: -57.848
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: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -775.151611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.151611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.151611 (E_RNA)
where:
Base-Base interactions energy: -459.530
where: short stacking energy: -212.044
Base-Backbone interact. energy: 0.281
local terms energy: -315.902557
where:
bonds (distance) C4'-P energy: -79.645
bonds (distance) P-C4' energy: -82.708
flat angles C4'-P-C4' energy: -71.842
flat angles P-C4'-P energy: -52.185
tors. eta vs tors. theta energy: -29.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1849.175978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.175978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.175978 (E_RNA)
where:
Base-Base interactions energy: -1287.710
where: short stacking energy: -538.515
Base-Backbone interact. energy: -1.155
local terms energy: -560.311539
where:
bonds (distance) C4'-P energy: -96.277
bonds (distance) P-C4' energy: -100.818
flat angles C4'-P-C4' energy: -121.906
flat angles P-C4'-P energy: -87.715
tors. eta vs tors. theta energy: -153.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1779.604070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.604070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.604070 (E_RNA)
where:
Base-Base interactions energy: -1256.877
where: short stacking energy: -526.333
Base-Backbone interact. energy: 1.505
local terms energy: -524.231724
where:
bonds (distance) C4'-P energy: -81.969
bonds (distance) P-C4' energy: -103.761
flat angles C4'-P-C4' energy: -107.133
flat angles P-C4'-P energy: -76.394
tors. eta vs tors. theta energy: -154.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1730.995203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.995203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.995203 (E_RNA)
where:
Base-Base interactions energy: -1205.412
where: short stacking energy: -498.168
Base-Backbone interact. energy: -1.620
local terms energy: -523.963055
where:
bonds (distance) C4'-P energy: -96.139
bonds (distance) P-C4' energy: -103.996
flat angles C4'-P-C4' energy: -105.662
flat angles P-C4'-P energy: -80.014
tors. eta vs tors. theta energy: -138.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1688.676562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.676562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.676562 (E_RNA)
where:
Base-Base interactions energy: -1193.595
where: short stacking energy: -493.680
Base-Backbone interact. energy: -1.071
local terms energy: -494.010860
where:
bonds (distance) C4'-P energy: -86.831
bonds (distance) P-C4' energy: -97.273
flat angles C4'-P-C4' energy: -105.368
flat angles P-C4'-P energy: -66.196
tors. eta vs tors. theta energy: -138.344
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: 10
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1672.064356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.064356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.064356 (E_RNA)
where:
Base-Base interactions energy: -1178.018
where: short stacking energy: -482.602
Base-Backbone interact. energy: -0.162
local terms energy: -493.884100
where:
bonds (distance) C4'-P energy: -74.313
bonds (distance) P-C4' energy: -94.439
flat angles C4'-P-C4' energy: -115.817
flat angles P-C4'-P energy: -75.686
tors. eta vs tors. theta energy: -133.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1566.368047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.368047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.368047 (E_RNA)
where:
Base-Base interactions energy: -1090.561
where: short stacking energy: -450.030
Base-Backbone interact. energy: 0.652
local terms energy: -476.459219
where:
bonds (distance) C4'-P energy: -98.415
bonds (distance) P-C4' energy: -82.777
flat angles C4'-P-C4' energy: -104.044
flat angles P-C4'-P energy: -65.999
tors. eta vs tors. theta energy: -125.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1388.571317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.571317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.571317 (E_RNA)
where:
Base-Base interactions energy: -979.755
where: short stacking energy: -416.689
Base-Backbone interact. energy: -2.590
local terms energy: -406.226634
where:
bonds (distance) C4'-P energy: -62.401
bonds (distance) P-C4' energy: -91.976
flat angles C4'-P-C4' energy: -88.072
flat angles P-C4'-P energy: -56.789
tors. eta vs tors. theta energy: -106.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1162.384690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.384690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.384690 (E_RNA)
where:
Base-Base interactions energy: -781.147
where: short stacking energy: -341.364
Base-Backbone interact. energy: 2.075
local terms energy: -383.312108
where:
bonds (distance) C4'-P energy: -80.786
bonds (distance) P-C4' energy: -77.923
flat angles C4'-P-C4' energy: -79.664
flat angles P-C4'-P energy: -58.121
tors. eta vs tors. theta energy: -86.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1017.479029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.479029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.479029 (E_RNA)
where:
Base-Base interactions energy: -685.270
where: short stacking energy: -292.643
Base-Backbone interact. energy: -3.716
local terms energy: -328.492614
where:
bonds (distance) C4'-P energy: -64.510
bonds (distance) P-C4' energy: -87.364
flat angles C4'-P-C4' energy: -74.697
flat angles P-C4'-P energy: -42.676
tors. eta vs tors. theta energy: -59.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -689.375505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.375505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.375505 (E_RNA)
where:
Base-Base interactions energy: -375.623
where: short stacking energy: -196.523
Base-Backbone interact. energy: 1.876
local terms energy: -315.627900
where:
bonds (distance) C4'-P energy: -63.267
bonds (distance) P-C4' energy: -84.104
flat angles C4'-P-C4' energy: -75.939
flat angles P-C4'-P energy: -59.544
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: 1, replica: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1832.189658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.189658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.189658 (E_RNA)
where:
Base-Base interactions energy: -1297.857
where: short stacking energy: -543.101
Base-Backbone interact. energy: -2.414
local terms energy: -531.918287
where:
bonds (distance) C4'-P energy: -88.776
bonds (distance) P-C4' energy: -99.225
flat angles C4'-P-C4' energy: -104.534
flat angles P-C4'-P energy: -77.170
tors. eta vs tors. theta energy: -162.213
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: 2, replica: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1795.122714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.122714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.122714 (E_RNA)
where:
Base-Base interactions energy: -1269.649
where: short stacking energy: -543.473
Base-Backbone interact. energy: -1.459
local terms energy: -524.014603
where:
bonds (distance) C4'-P energy: -94.653
bonds (distance) P-C4' energy: -78.698
flat angles C4'-P-C4' energy: -116.566
flat angles P-C4'-P energy: -72.624
tors. eta vs tors. theta energy: -161.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1736.362563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.362563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.362563 (E_RNA)
where:
Base-Base interactions energy: -1222.533
where: short stacking energy: -510.013
Base-Backbone interact. energy: -3.339
local terms energy: -510.490140
where:
bonds (distance) C4'-P energy: -89.885
bonds (distance) P-C4' energy: -96.181
flat angles C4'-P-C4' energy: -98.607
flat angles P-C4'-P energy: -84.401
tors. eta vs tors. theta energy: -141.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1739.220001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.220001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.220001 (E_RNA)
where:
Base-Base interactions energy: -1208.423
where: short stacking energy: -499.356
Base-Backbone interact. energy: -0.146
local terms energy: -530.651205
where:
bonds (distance) C4'-P energy: -87.424
bonds (distance) P-C4' energy: -108.217
flat angles C4'-P-C4' energy: -114.034
flat angles P-C4'-P energy: -69.172
tors. eta vs tors. theta energy: -151.804
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: 490
Temperature: 1.100000
Total energy: -1662.090752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.090752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.090752 (E_RNA)
where:
Base-Base interactions energy: -1179.915
where: short stacking energy: -506.467
Base-Backbone interact. energy: 0.218
local terms energy: -482.393779
where:
bonds (distance) C4'-P energy: -87.407
bonds (distance) P-C4' energy: -87.390
flat angles C4'-P-C4' energy: -101.915
flat angles P-C4'-P energy: -63.951
tors. eta vs tors. theta energy: -141.731
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: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1566.531539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.531539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.531539 (E_RNA)
where:
Base-Base interactions energy: -1123.038
where: short stacking energy: -457.303
Base-Backbone interact. energy: 2.244
local terms energy: -445.737563
where:
bonds (distance) C4'-P energy: -84.929
bonds (distance) P-C4' energy: -85.610
flat angles C4'-P-C4' energy: -92.856
flat angles P-C4'-P energy: -59.988
tors. eta vs tors. theta energy: -122.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1405.123519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.123519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.123519 (E_RNA)
where:
Base-Base interactions energy: -982.954
where: short stacking energy: -414.804
Base-Backbone interact. energy: -0.655
local terms energy: -421.514564
where:
bonds (distance) C4'-P energy: -69.986
bonds (distance) P-C4' energy: -82.450
flat angles C4'-P-C4' energy: -89.415
flat angles P-C4'-P energy: -62.396
tors. eta vs tors. theta energy: -117.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1168.374246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.374246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.374246 (E_RNA)
where:
Base-Base interactions energy: -771.076
where: short stacking energy: -346.328
Base-Backbone interact. energy: 2.102
local terms energy: -399.400263
where:
bonds (distance) C4'-P energy: -90.244
bonds (distance) P-C4' energy: -81.286
flat angles C4'-P-C4' energy: -86.517
flat angles P-C4'-P energy: -54.865
tors. eta vs tors. theta energy: -86.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1090.900456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.900456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.900456 (E_RNA)
where:
Base-Base interactions energy: -725.396
where: short stacking energy: -315.572
Base-Backbone interact. energy: 0.465
local terms energy: -365.969024
where:
bonds (distance) C4'-P energy: -81.264
bonds (distance) P-C4' energy: -88.721
flat angles C4'-P-C4' energy: -82.737
flat angles P-C4'-P energy: -46.335
tors. eta vs tors. theta energy: -66.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -713.962704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.962704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.962704 (E_RNA)
where:
Base-Base interactions energy: -407.766
where: short stacking energy: -185.236
Base-Backbone interact. energy: 2.678
local terms energy: -308.874001
where:
bonds (distance) C4'-P energy: -87.730
bonds (distance) P-C4' energy: -80.963
flat angles C4'-P-C4' energy: -68.268
flat angles P-C4'-P energy: -49.580
tors. eta vs tors. theta energy: -22.334
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: 1, replica: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1852.937406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.937406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.937406 (E_RNA)
where:
Base-Base interactions energy: -1326.687
where: short stacking energy: -541.008
Base-Backbone interact. energy: -1.420
local terms energy: -524.830073
where:
bonds (distance) C4'-P energy: -105.072
bonds (distance) P-C4' energy: -84.087
flat angles C4'-P-C4' energy: -105.769
flat angles P-C4'-P energy: -77.649
tors. eta vs tors. theta energy: -152.253
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: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1775.961224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.961224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.961224 (E_RNA)
where:
Base-Base interactions energy: -1258.874
where: short stacking energy: -538.146
Base-Backbone interact. energy: 0.314
local terms energy: -517.401747
where:
bonds (distance) C4'-P energy: -85.530
bonds (distance) P-C4' energy: -97.610
flat angles C4'-P-C4' energy: -109.591
flat angles P-C4'-P energy: -71.332
tors. eta vs tors. theta energy: -153.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1719.821975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.821975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.821975 (E_RNA)
where:
Base-Base interactions energy: -1209.273
where: short stacking energy: -500.369
Base-Backbone interact. energy: -2.622
local terms energy: -507.926380
where:
bonds (distance) C4'-P energy: -95.618
bonds (distance) P-C4' energy: -106.057
flat angles C4'-P-C4' energy: -100.257
flat angles P-C4'-P energy: -60.042
tors. eta vs tors. theta energy: -145.953
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: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1710.268228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.268228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.268228 (E_RNA)
where:
Base-Base interactions energy: -1216.296
where: short stacking energy: -500.326
Base-Backbone interact. energy: -0.926
local terms energy: -493.045781
where:
bonds (distance) C4'-P energy: -92.350
bonds (distance) P-C4' energy: -76.779
flat angles C4'-P-C4' energy: -111.049
flat angles P-C4'-P energy: -74.716
tors. eta vs tors. theta energy: -138.151
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: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1642.489542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.489542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.489542 (E_RNA)
where:
Base-Base interactions energy: -1164.463
where: short stacking energy: -489.622
Base-Backbone interact. energy: -1.673
local terms energy: -476.354041
where:
bonds (distance) C4'-P energy: -90.711
bonds (distance) P-C4' energy: -68.397
flat angles C4'-P-C4' energy: -101.298
flat angles P-C4'-P energy: -70.899
tors. eta vs tors. theta energy: -145.049
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: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1571.841978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.841978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.841978 (E_RNA)
where:
Base-Base interactions energy: -1109.741
where: short stacking energy: -434.896
Base-Backbone interact. energy: 0.659
local terms energy: -462.760457
where:
bonds (distance) C4'-P energy: -80.832
bonds (distance) P-C4' energy: -80.160
flat angles C4'-P-C4' energy: -105.259
flat angles P-C4'-P energy: -62.904
tors. eta vs tors. theta energy: -133.606
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: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1396.399180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.399180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.399180 (E_RNA)
where:
Base-Base interactions energy: -966.501
where: short stacking energy: -403.876
Base-Backbone interact. energy: 0.630
local terms energy: -430.528064
where:
bonds (distance) C4'-P energy: -87.070
bonds (distance) P-C4' energy: -85.485
flat angles C4'-P-C4' energy: -95.088
flat angles P-C4'-P energy: -60.737
tors. eta vs tors. theta energy: -102.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1229.752982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.752982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.752982 (E_RNA)
where:
Base-Base interactions energy: -819.830
where: short stacking energy: -353.443
Base-Backbone interact. energy: 1.183
local terms energy: -411.105768
where:
bonds (distance) C4'-P energy: -83.710
bonds (distance) P-C4' energy: -83.386
flat angles C4'-P-C4' energy: -88.268
flat angles P-C4'-P energy: -56.074
tors. eta vs tors. theta energy: -99.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1053.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.100411 (E_RNA)
where:
Base-Base interactions energy: -683.993
where: short stacking energy: -305.359
Base-Backbone interact. energy: -3.315
local terms energy: -365.793300
where:
bonds (distance) C4'-P energy: -86.971
bonds (distance) P-C4' energy: -83.929
flat angles C4'-P-C4' energy: -85.228
flat angles P-C4'-P energy: -32.900
tors. eta vs tors. theta energy: -76.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -716.872142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.872142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.872142 (E_RNA)
where:
Base-Base interactions energy: -417.941
where: short stacking energy: -202.597
Base-Backbone interact. energy: -1.329
local terms energy: -297.602091
where:
bonds (distance) C4'-P energy: -74.811
bonds (distance) P-C4' energy: -91.086
flat angles C4'-P-C4' energy: -65.129
flat angles P-C4'-P energy: -53.026
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1864.575734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.575734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.575734 (E_RNA)
where:
Base-Base interactions energy: -1306.019
where: short stacking energy: -553.506
Base-Backbone interact. energy: -2.527
local terms energy: -556.029177
where:
bonds (distance) C4'-P energy: -103.687
bonds (distance) P-C4' energy: -100.899
flat angles C4'-P-C4' energy: -117.344
flat angles P-C4'-P energy: -78.269
tors. eta vs tors. theta energy: -155.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1793.361801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.361801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.361801 (E_RNA)
where:
Base-Base interactions energy: -1285.714
where: short stacking energy: -536.192
Base-Backbone interact. energy: -0.736
local terms energy: -506.911791
where:
bonds (distance) C4'-P energy: -89.745
bonds (distance) P-C4' energy: -96.692
flat angles C4'-P-C4' energy: -103.376
flat angles P-C4'-P energy: -71.994
tors. eta vs tors. theta energy: -145.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1741.285273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.285273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.285273 (E_RNA)
where:
Base-Base interactions energy: -1209.312
where: short stacking energy: -501.505
Base-Backbone interact. energy: -3.329
local terms energy: -528.644055
where:
bonds (distance) C4'-P energy: -93.850
bonds (distance) P-C4' energy: -96.551
flat angles C4'-P-C4' energy: -114.153
flat angles P-C4'-P energy: -81.837
tors. eta vs tors. theta energy: -142.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1711.562376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.562376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.562376 (E_RNA)
where:
Base-Base interactions energy: -1210.310
where: short stacking energy: -491.341
Base-Backbone interact. energy: -1.761
local terms energy: -499.491347
where:
bonds (distance) C4'-P energy: -89.376
bonds (distance) P-C4' energy: -103.413
flat angles C4'-P-C4' energy: -100.430
flat angles P-C4'-P energy: -69.030
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: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1621.172862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.172862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.172862 (E_RNA)
where:
Base-Base interactions energy: -1138.306
where: short stacking energy: -473.290
Base-Backbone interact. energy: -0.333
local terms energy: -482.533307
where:
bonds (distance) C4'-P energy: -86.898
bonds (distance) P-C4' energy: -90.498
flat angles C4'-P-C4' energy: -107.220
flat angles P-C4'-P energy: -59.252
tors. eta vs tors. theta energy: -138.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1563.541218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.541218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.541218 (E_RNA)
where:
Base-Base interactions energy: -1110.405
where: short stacking energy: -458.588
Base-Backbone interact. energy: -1.840
local terms energy: -451.296816
where:
bonds (distance) C4'-P energy: -81.752
bonds (distance) P-C4' energy: -82.064
flat angles C4'-P-C4' energy: -91.239
flat angles P-C4'-P energy: -68.930
tors. eta vs tors. theta energy: -127.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1398.848209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.848209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.848209 (E_RNA)
where:
Base-Base interactions energy: -950.558
where: short stacking energy: -424.236
Base-Backbone interact. energy: -0.104
local terms energy: -448.186944
where:
bonds (distance) C4'-P energy: -81.576
bonds (distance) P-C4' energy: -86.189
flat angles C4'-P-C4' energy: -96.592
flat angles P-C4'-P energy: -65.704
tors. eta vs tors. theta energy: -118.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1195.972650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.972650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.972650 (E_RNA)
where:
Base-Base interactions energy: -825.262
where: short stacking energy: -343.670
Base-Backbone interact. energy: -1.201
local terms energy: -369.509217
where:
bonds (distance) C4'-P energy: -84.124
bonds (distance) P-C4' energy: -75.140
flat angles C4'-P-C4' energy: -81.549
flat angles P-C4'-P energy: -53.570
tors. eta vs tors. theta energy: -75.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1006.198042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.198042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.198042 (E_RNA)
where:
Base-Base interactions energy: -661.934
where: short stacking energy: -307.141
Base-Backbone interact. energy: 1.101
local terms energy: -345.365087
where:
bonds (distance) C4'-P energy: -72.086
bonds (distance) P-C4' energy: -78.293
flat angles C4'-P-C4' energy: -76.617
flat angles P-C4'-P energy: -43.792
tors. eta vs tors. theta energy: -74.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -791.631916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.631916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.631916 (E_RNA)
where:
Base-Base interactions energy: -483.360
where: short stacking energy: -217.432
Base-Backbone interact. energy: -1.301
local terms energy: -306.970034
where:
bonds (distance) C4'-P energy: -85.035
bonds (distance) P-C4' energy: -75.667
flat angles C4'-P-C4' energy: -71.863
flat angles P-C4'-P energy: -50.067
tors. eta vs tors. theta energy: -24.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1853.028291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.028291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.028291 (E_RNA)
where:
Base-Base interactions energy: -1307.239
where: short stacking energy: -541.346
Base-Backbone interact. energy: 0.217
local terms energy: -546.006337
where:
bonds (distance) C4'-P energy: -103.069
bonds (distance) P-C4' energy: -96.115
flat angles C4'-P-C4' energy: -117.069
flat angles P-C4'-P energy: -76.303
tors. eta vs tors. theta energy: -153.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1787.659900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.659900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.659900 (E_RNA)
where:
Base-Base interactions energy: -1254.277
where: short stacking energy: -525.655
Base-Backbone interact. energy: -3.191
local terms energy: -530.192174
where:
bonds (distance) C4'-P energy: -93.166
bonds (distance) P-C4' energy: -108.943
flat angles C4'-P-C4' energy: -115.678
flat angles P-C4'-P energy: -60.019
tors. eta vs tors. theta energy: -152.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1740.898428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.898428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.898428 (E_RNA)
where:
Base-Base interactions energy: -1224.510
where: short stacking energy: -508.877
Base-Backbone interact. energy: 0.440
local terms energy: -516.827900
where:
bonds (distance) C4'-P energy: -95.329
bonds (distance) P-C4' energy: -93.632
flat angles C4'-P-C4' energy: -101.608
flat angles P-C4'-P energy: -82.386
tors. eta vs tors. theta energy: -143.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1705.519420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.519420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.519420 (E_RNA)
where:
Base-Base interactions energy: -1213.537
where: short stacking energy: -506.055
Base-Backbone interact. energy: -0.686
local terms energy: -491.296364
where:
bonds (distance) C4'-P energy: -69.696
bonds (distance) P-C4' energy: -86.508
flat angles C4'-P-C4' energy: -108.137
flat angles P-C4'-P energy: -76.250
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: 5, replica: 10
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1636.896431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.896431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.896431 (E_RNA)
where:
Base-Base interactions energy: -1149.968
where: short stacking energy: -482.661
Base-Backbone interact. energy: -1.653
local terms energy: -485.274898
where:
bonds (distance) C4'-P energy: -81.443
bonds (distance) P-C4' energy: -84.857
flat angles C4'-P-C4' energy: -109.641
flat angles P-C4'-P energy: -75.173
tors. eta vs tors. theta energy: -134.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1549.418624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.418624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.418624 (E_RNA)
where:
Base-Base interactions energy: -1104.215
where: short stacking energy: -459.092
Base-Backbone interact. energy: 0.698
local terms energy: -445.901190
where:
bonds (distance) C4'-P energy: -85.053
bonds (distance) P-C4' energy: -82.603
flat angles C4'-P-C4' energy: -91.002
flat angles P-C4'-P energy: -71.152
tors. eta vs tors. theta energy: -116.092
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: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1414.156002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.156002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.156002 (E_RNA)
where:
Base-Base interactions energy: -953.335
where: short stacking energy: -415.626
Base-Backbone interact. energy: 1.173
local terms energy: -461.994039
where:
bonds (distance) C4'-P energy: -82.347
bonds (distance) P-C4' energy: -99.462
flat angles C4'-P-C4' energy: -98.127
flat angles P-C4'-P energy: -70.449
tors. eta vs tors. theta energy: -111.609
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: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1208.857057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.857057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.857057 (E_RNA)
where:
Base-Base interactions energy: -794.798
where: short stacking energy: -333.941
Base-Backbone interact. energy: -2.192
local terms energy: -411.867962
where:
bonds (distance) C4'-P energy: -91.713
bonds (distance) P-C4' energy: -90.412
flat angles C4'-P-C4' energy: -80.950
flat angles P-C4'-P energy: -49.315
tors. eta vs tors. theta energy: -99.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -991.584914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.584914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.584914 (E_RNA)
where:
Base-Base interactions energy: -647.616
where: short stacking energy: -262.822
Base-Backbone interact. energy: 1.459
local terms energy: -345.427711
where:
bonds (distance) C4'-P energy: -78.941
bonds (distance) P-C4' energy: -88.396
flat angles C4'-P-C4' energy: -71.834
flat angles P-C4'-P energy: -40.285
tors. eta vs tors. theta energy: -65.971
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: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -748.035610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.035610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.035610 (E_RNA)
where:
Base-Base interactions energy: -475.648
where: short stacking energy: -233.500
Base-Backbone interact. energy: 2.411
local terms energy: -274.798242
where:
bonds (distance) C4'-P energy: -67.242
bonds (distance) P-C4' energy: -64.193
flat angles C4'-P-C4' energy: -80.998
flat angles P-C4'-P energy: -26.752
tors. eta vs tors. theta energy: -35.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1857.385142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.385142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.385142 (E_RNA)
where:
Base-Base interactions energy: -1311.842
where: short stacking energy: -544.742
Base-Backbone interact. energy: -1.397
local terms energy: -544.146313
where:
bonds (distance) C4'-P energy: -94.458
bonds (distance) P-C4' energy: -98.448
flat angles C4'-P-C4' energy: -118.774
flat angles P-C4'-P energy: -82.351
tors. eta vs tors. theta energy: -150.115
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: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1771.592064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.592064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.592064 (E_RNA)
where:
Base-Base interactions energy: -1259.365
where: short stacking energy: -536.904
Base-Backbone interact. energy: -1.698
local terms energy: -510.529652
where:
bonds (distance) C4'-P energy: -87.017
bonds (distance) P-C4' energy: -99.199
flat angles C4'-P-C4' energy: -108.229
flat angles P-C4'-P energy: -66.244
tors. eta vs tors. theta energy: -149.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1705.716950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.716950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.716950 (E_RNA)
where:
Base-Base interactions energy: -1220.520
where: short stacking energy: -510.098
Base-Backbone interact. energy: -0.855
local terms energy: -484.341720
where:
bonds (distance) C4'-P energy: -80.425
bonds (distance) P-C4' energy: -93.503
flat angles C4'-P-C4' energy: -104.617
flat angles P-C4'-P energy: -62.694
tors. eta vs tors. theta energy: -143.103
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: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1680.246603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.246603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.246603 (E_RNA)
where:
Base-Base interactions energy: -1206.313
where: short stacking energy: -489.389
Base-Backbone interact. energy: 1.241
local terms energy: -475.174383
where:
bonds (distance) C4'-P energy: -91.012
bonds (distance) P-C4' energy: -88.789
flat angles C4'-P-C4' energy: -111.919
flat angles P-C4'-P energy: -54.302
tors. eta vs tors. theta energy: -129.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1620.331265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.331265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.331265 (E_RNA)
where:
Base-Base interactions energy: -1149.641
where: short stacking energy: -472.851
Base-Backbone interact. energy: 4.355
local terms energy: -475.044312
where:
bonds (distance) C4'-P energy: -62.595
bonds (distance) P-C4' energy: -96.483
flat angles C4'-P-C4' energy: -107.593
flat angles P-C4'-P energy: -77.266
tors. eta vs tors. theta energy: -131.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1592.589568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.589568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.589568 (E_RNA)
where:
Base-Base interactions energy: -1111.865
where: short stacking energy: -475.068
Base-Backbone interact. energy: -0.677
local terms energy: -480.047216
where:
bonds (distance) C4'-P energy: -79.705
bonds (distance) P-C4' energy: -91.158
flat angles C4'-P-C4' energy: -97.216
flat angles P-C4'-P energy: -70.569
tors. eta vs tors. theta energy: -141.399
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: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1422.190597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.190597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.190597 (E_RNA)
where:
Base-Base interactions energy: -1001.032
where: short stacking energy: -410.737
Base-Backbone interact. energy: 2.815
local terms energy: -423.973951
where:
bonds (distance) C4'-P energy: -87.349
bonds (distance) P-C4' energy: -81.009
flat angles C4'-P-C4' energy: -95.407
flat angles P-C4'-P energy: -56.400
tors. eta vs tors. theta energy: -103.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1188.017374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.017374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.017374 (E_RNA)
where:
Base-Base interactions energy: -806.833
where: short stacking energy: -345.429
Base-Backbone interact. energy: -2.267
local terms energy: -378.917006
where:
bonds (distance) C4'-P energy: -75.822
bonds (distance) P-C4' energy: -77.949
flat angles C4'-P-C4' energy: -77.769
flat angles P-C4'-P energy: -42.394
tors. eta vs tors. theta energy: -104.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1029.308377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.308377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.308377 (E_RNA)
where:
Base-Base interactions energy: -647.064
where: short stacking energy: -291.131
Base-Backbone interact. energy: -2.126
local terms energy: -380.118481
where:
bonds (distance) C4'-P energy: -93.152
bonds (distance) P-C4' energy: -88.976
flat angles C4'-P-C4' energy: -89.706
flat angles P-C4'-P energy: -42.398
tors. eta vs tors. theta energy: -65.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -698.141421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.141421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.141421 (E_RNA)
where:
Base-Base interactions energy: -399.268
where: short stacking energy: -200.155
Base-Backbone interact. energy: -3.041
local terms energy: -295.832226
where:
bonds (distance) C4'-P energy: -68.524
bonds (distance) P-C4' energy: -92.727
flat angles C4'-P-C4' energy: -61.667
flat angles P-C4'-P energy: -56.693
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1857.806840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.806840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.806840 (E_RNA)
where:
Base-Base interactions energy: -1317.375
where: short stacking energy: -542.067
Base-Backbone interact. energy: -3.510
local terms energy: -536.921731
where:
bonds (distance) C4'-P energy: -94.675
bonds (distance) P-C4' energy: -104.994
flat angles C4'-P-C4' energy: -109.820
flat angles P-C4'-P energy: -74.148
tors. eta vs tors. theta energy: -153.286
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: 2, replica: 8
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1787.534112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.534112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.534112 (E_RNA)
where:
Base-Base interactions energy: -1283.642
where: short stacking energy: -542.443
Base-Backbone interact. energy: -0.828
local terms energy: -503.064237
where:
bonds (distance) C4'-P energy: -77.333
bonds (distance) P-C4' energy: -90.657
flat angles C4'-P-C4' energy: -105.306
flat angles P-C4'-P energy: -77.649
tors. eta vs tors. theta energy: -152.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1709.297334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.297334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.297334 (E_RNA)
where:
Base-Base interactions energy: -1205.260
where: short stacking energy: -494.625
Base-Backbone interact. energy: -4.532
local terms energy: -499.504556
where:
bonds (distance) C4'-P energy: -87.249
bonds (distance) P-C4' energy: -92.755
flat angles C4'-P-C4' energy: -106.109
flat angles P-C4'-P energy: -75.475
tors. eta vs tors. theta energy: -137.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1688.281326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.281326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.281326 (E_RNA)
where:
Base-Base interactions energy: -1203.733
where: short stacking energy: -480.531
Base-Backbone interact. energy: -0.213
local terms energy: -484.335578
where:
bonds (distance) C4'-P energy: -93.346
bonds (distance) P-C4' energy: -87.897
flat angles C4'-P-C4' energy: -96.192
flat angles P-C4'-P energy: -70.420
tors. eta vs tors. theta energy: -136.480
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: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1596.769329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.769329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.769329 (E_RNA)
where:
Base-Base interactions energy: -1115.079
where: short stacking energy: -457.932
Base-Backbone interact. energy: 1.675
local terms energy: -483.365958
where:
bonds (distance) C4'-P energy: -93.869
bonds (distance) P-C4' energy: -89.937
flat angles C4'-P-C4' energy: -98.410
flat angles P-C4'-P energy: -71.713
tors. eta vs tors. theta energy: -129.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1548.436006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.436006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.436006 (E_RNA)
where:
Base-Base interactions energy: -1088.189
where: short stacking energy: -455.560
Base-Backbone interact. energy: -1.143
local terms energy: -459.103730
where:
bonds (distance) C4'-P energy: -76.328
bonds (distance) P-C4' energy: -77.113
flat angles C4'-P-C4' energy: -101.139
flat angles P-C4'-P energy: -71.849
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: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1361.969697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.969697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.969697 (E_RNA)
where:
Base-Base interactions energy: -940.401
where: short stacking energy: -394.466
Base-Backbone interact. energy: 1.840
local terms energy: -423.409171
where:
bonds (distance) C4'-P energy: -90.414
bonds (distance) P-C4' energy: -73.000
flat angles C4'-P-C4' energy: -88.442
flat angles P-C4'-P energy: -62.027
tors. eta vs tors. theta energy: -109.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1198.564482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.564482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.564482 (E_RNA)
where:
Base-Base interactions energy: -790.336
where: short stacking energy: -344.768
Base-Backbone interact. energy: -0.644
local terms energy: -407.584773
where:
bonds (distance) C4'-P energy: -81.914
bonds (distance) P-C4' energy: -100.500
flat angles C4'-P-C4' energy: -91.954
flat angles P-C4'-P energy: -47.617
tors. eta vs tors. theta energy: -85.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1007.615794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.615794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.615794 (E_RNA)
where:
Base-Base interactions energy: -661.191
where: short stacking energy: -290.297
Base-Backbone interact. energy: -2.464
local terms energy: -343.961097
where:
bonds (distance) C4'-P energy: -66.210
bonds (distance) P-C4' energy: -78.431
flat angles C4'-P-C4' energy: -89.066
flat angles P-C4'-P energy: -54.127
tors. eta vs tors. theta energy: -56.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -721.399587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.399587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.399587 (E_RNA)
where:
Base-Base interactions energy: -399.603
where: short stacking energy: -212.507
Base-Backbone interact. energy: 4.487
local terms energy: -326.283202
where:
bonds (distance) C4'-P energy: -92.378
bonds (distance) P-C4' energy: -80.213
flat angles C4'-P-C4' energy: -67.809
flat angles P-C4'-P energy: -51.961
tors. eta vs tors. theta energy: -33.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1831.507322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.507322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.507322 (E_RNA)
where:
Base-Base interactions energy: -1299.465
where: short stacking energy: -544.163
Base-Backbone interact. energy: -1.540
local terms energy: -530.502862
where:
bonds (distance) C4'-P energy: -92.447
bonds (distance) P-C4' energy: -96.512
flat angles C4'-P-C4' energy: -118.682
flat angles P-C4'-P energy: -76.348
tors. eta vs tors. theta energy: -146.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1810.451365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.451365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.451365 (E_RNA)
where:
Base-Base interactions energy: -1283.878
where: short stacking energy: -546.705
Base-Backbone interact. energy: -2.011
local terms energy: -524.561752
where:
bonds (distance) C4'-P energy: -85.375
bonds (distance) P-C4' energy: -97.155
flat angles C4'-P-C4' energy: -111.963
flat angles P-C4'-P energy: -72.011
tors. eta vs tors. theta energy: -158.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1715.128504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.128504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.128504 (E_RNA)
where:
Base-Base interactions energy: -1224.510
where: short stacking energy: -496.448
Base-Backbone interact. energy: -2.571
local terms energy: -488.047524
where:
bonds (distance) C4'-P energy: -88.080
bonds (distance) P-C4' energy: -90.460
flat angles C4'-P-C4' energy: -107.485
flat angles P-C4'-P energy: -76.561
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: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1684.796029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.796029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.796029 (E_RNA)
where:
Base-Base interactions energy: -1189.915
where: short stacking energy: -482.475
Base-Backbone interact. energy: -2.851
local terms energy: -492.029617
where:
bonds (distance) C4'-P energy: -86.309
bonds (distance) P-C4' energy: -80.747
flat angles C4'-P-C4' energy: -115.483
flat angles P-C4'-P energy: -73.822
tors. eta vs tors. theta energy: -135.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1613.940444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.940444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.940444 (E_RNA)
where:
Base-Base interactions energy: -1159.581
where: short stacking energy: -481.601
Base-Backbone interact. energy: -0.733
local terms energy: -453.626306
where:
bonds (distance) C4'-P energy: -74.332
bonds (distance) P-C4' energy: -75.938
flat angles C4'-P-C4' energy: -99.196
flat angles P-C4'-P energy: -71.686
tors. eta vs tors. theta energy: -132.474
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: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1570.573673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.573673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.573673 (E_RNA)
where:
Base-Base interactions energy: -1117.581
where: short stacking energy: -475.143
Base-Backbone interact. energy: -0.180
local terms energy: -452.813192
where:
bonds (distance) C4'-P energy: -82.715
bonds (distance) P-C4' energy: -76.941
flat angles C4'-P-C4' energy: -95.860
flat angles P-C4'-P energy: -71.675
tors. eta vs tors. theta energy: -125.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1349.800756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.800756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.800756 (E_RNA)
where:
Base-Base interactions energy: -926.724
where: short stacking energy: -391.087
Base-Backbone interact. energy: -0.846
local terms energy: -422.230337
where:
bonds (distance) C4'-P energy: -79.480
bonds (distance) P-C4' energy: -71.452
flat angles C4'-P-C4' energy: -90.778
flat angles P-C4'-P energy: -64.571
tors. eta vs tors. theta energy: -115.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1201.364768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.364768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.364768 (E_RNA)
where:
Base-Base interactions energy: -821.365
where: short stacking energy: -343.436
Base-Backbone interact. energy: -1.099
local terms energy: -378.900722
where:
bonds (distance) C4'-P energy: -71.637
bonds (distance) P-C4' energy: -77.207
flat angles C4'-P-C4' energy: -94.993
flat angles P-C4'-P energy: -57.048
tors. eta vs tors. theta energy: -78.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1046.595668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.595668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.595668 (E_RNA)
where:
Base-Base interactions energy: -690.566
where: short stacking energy: -313.809
Base-Backbone interact. energy: -1.048
local terms energy: -354.981528
where:
bonds (distance) C4'-P energy: -77.250
bonds (distance) P-C4' energy: -78.260
flat angles C4'-P-C4' energy: -78.540
flat angles P-C4'-P energy: -51.624
tors. eta vs tors. theta energy: -69.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -718.286175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.286175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.286175 (E_RNA)
where:
Base-Base interactions energy: -416.436
where: short stacking energy: -204.064
Base-Backbone interact. energy: 0.264
local terms energy: -302.114151
where:
bonds (distance) C4'-P energy: -90.149
bonds (distance) P-C4' energy: -75.460
flat angles C4'-P-C4' energy: -58.660
flat angles P-C4'-P energy: -43.832
tors. eta vs tors. theta energy: -34.013
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: 6
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1826.099686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.099686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.099686 (E_RNA)
where:
Base-Base interactions energy: -1282.121
where: short stacking energy: -524.911
Base-Backbone interact. energy: -1.003
local terms energy: -542.975701
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -101.073
flat angles C4'-P-C4' energy: -116.444
flat angles P-C4'-P energy: -71.824
tors. eta vs tors. theta energy: -150.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1792.929280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.929280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.929280 (E_RNA)
where:
Base-Base interactions energy: -1279.834
where: short stacking energy: -526.924
Base-Backbone interact. energy: 0.811
local terms energy: -513.906182
where:
bonds (distance) C4'-P energy: -87.148
bonds (distance) P-C4' energy: -95.612
flat angles C4'-P-C4' energy: -112.612
flat angles P-C4'-P energy: -68.353
tors. eta vs tors. theta energy: -150.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1740.867245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.867245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.867245 (E_RNA)
where:
Base-Base interactions energy: -1245.048
where: short stacking energy: -514.610
Base-Backbone interact. energy: -1.740
local terms energy: -494.079734
where:
bonds (distance) C4'-P energy: -84.038
bonds (distance) P-C4' energy: -84.291
flat angles C4'-P-C4' energy: -116.694
flat angles P-C4'-P energy: -71.290
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: 4, replica: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1680.234235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.234235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.234235 (E_RNA)
where:
Base-Base interactions energy: -1175.930
where: short stacking energy: -498.065
Base-Backbone interact. energy: -0.535
local terms energy: -503.769253
where:
bonds (distance) C4'-P energy: -97.488
bonds (distance) P-C4' energy: -86.654
flat angles C4'-P-C4' energy: -106.177
flat angles P-C4'-P energy: -70.197
tors. eta vs tors. theta energy: -143.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1607.159641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.159641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.159641 (E_RNA)
where:
Base-Base interactions energy: -1127.373
where: short stacking energy: -455.460
Base-Backbone interact. energy: -0.881
local terms energy: -478.905029
where:
bonds (distance) C4'-P energy: -87.213
bonds (distance) P-C4' energy: -95.874
flat angles C4'-P-C4' energy: -91.187
flat angles P-C4'-P energy: -70.045
tors. eta vs tors. theta energy: -134.586
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: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1579.549393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.549393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.549393 (E_RNA)
where:
Base-Base interactions energy: -1108.162
where: short stacking energy: -455.278
Base-Backbone interact. energy: -1.995
local terms energy: -469.392344
where:
bonds (distance) C4'-P energy: -75.539
bonds (distance) P-C4' energy: -94.063
flat angles C4'-P-C4' energy: -95.725
flat angles P-C4'-P energy: -76.057
tors. eta vs tors. theta energy: -128.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1406.608819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.608819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.608819 (E_RNA)
where:
Base-Base interactions energy: -984.677
where: short stacking energy: -415.068
Base-Backbone interact. energy: 1.509
local terms energy: -423.440286
where:
bonds (distance) C4'-P energy: -78.925
bonds (distance) P-C4' energy: -67.886
flat angles C4'-P-C4' energy: -96.874
flat angles P-C4'-P energy: -62.956
tors. eta vs tors. theta energy: -116.800
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: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1191.352765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.352765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.352765 (E_RNA)
where:
Base-Base interactions energy: -802.258
where: short stacking energy: -344.171
Base-Backbone interact. energy: 0.648
local terms energy: -389.743402
where:
bonds (distance) C4'-P energy: -94.178
bonds (distance) P-C4' energy: -74.054
flat angles C4'-P-C4' energy: -80.971
flat angles P-C4'-P energy: -56.989
tors. eta vs tors. theta energy: -83.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1017.811434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.811434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.811434 (E_RNA)
where:
Base-Base interactions energy: -657.441
where: short stacking energy: -289.013
Base-Backbone interact. energy: -3.309
local terms energy: -357.061030
where:
bonds (distance) C4'-P energy: -73.164
bonds (distance) P-C4' energy: -77.095
flat angles C4'-P-C4' energy: -84.004
flat angles P-C4'-P energy: -49.995
tors. eta vs tors. theta energy: -72.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -737.875797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.875797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.875797 (E_RNA)
where:
Base-Base interactions energy: -395.143
where: short stacking energy: -182.049
Base-Backbone interact. energy: -1.144
local terms energy: -341.589393
where:
bonds (distance) C4'-P energy: -80.695
bonds (distance) P-C4' energy: -98.349
flat angles C4'-P-C4' energy: -80.411
flat angles P-C4'-P energy: -52.618
tors. eta vs tors. theta energy: -29.517
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: 6
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1826.758706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.758706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.758706 (E_RNA)
where:
Base-Base interactions energy: -1280.060
where: short stacking energy: -545.424
Base-Backbone interact. energy: -2.282
local terms energy: -544.416929
where:
bonds (distance) C4'-P energy: -98.304
bonds (distance) P-C4' energy: -93.927
flat angles C4'-P-C4' energy: -119.065
flat angles P-C4'-P energy: -73.053
tors. eta vs tors. theta energy: -160.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1832.487485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.487485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.487485 (E_RNA)
where:
Base-Base interactions energy: -1285.156
where: short stacking energy: -539.426
Base-Backbone interact. energy: -2.406
local terms energy: -544.924882
where:
bonds (distance) C4'-P energy: -94.335
bonds (distance) P-C4' energy: -100.945
flat angles C4'-P-C4' energy: -108.232
flat angles P-C4'-P energy: -82.938
tors. eta vs tors. theta energy: -158.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1757.499492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.499492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.499492 (E_RNA)
where:
Base-Base interactions energy: -1241.090
where: short stacking energy: -515.811
Base-Backbone interact. energy: 0.020
local terms energy: -516.429348
where:
bonds (distance) C4'-P energy: -96.427
bonds (distance) P-C4' energy: -97.556
flat angles C4'-P-C4' energy: -104.266
flat angles P-C4'-P energy: -76.792
tors. eta vs tors. theta energy: -141.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1708.586933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.586933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.586933 (E_RNA)
where:
Base-Base interactions energy: -1205.136
where: short stacking energy: -514.927
Base-Backbone interact. energy: -0.953
local terms energy: -502.497967
where:
bonds (distance) C4'-P energy: -83.352
bonds (distance) P-C4' energy: -97.840
flat angles C4'-P-C4' energy: -102.232
flat angles P-C4'-P energy: -78.978
tors. eta vs tors. theta energy: -140.095
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: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1618.390830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.390830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.390830 (E_RNA)
where:
Base-Base interactions energy: -1146.909
where: short stacking energy: -474.958
Base-Backbone interact. energy: -0.414
local terms energy: -471.068215
where:
bonds (distance) C4'-P energy: -74.985
bonds (distance) P-C4' energy: -94.661
flat angles C4'-P-C4' energy: -104.359
flat angles P-C4'-P energy: -66.738
tors. eta vs tors. theta energy: -130.326
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: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1563.210844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.210844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.210844 (E_RNA)
where:
Base-Base interactions energy: -1124.269
where: short stacking energy: -463.269
Base-Backbone interact. energy: -2.010
local terms energy: -436.932107
where:
bonds (distance) C4'-P energy: -63.641
bonds (distance) P-C4' energy: -72.702
flat angles C4'-P-C4' energy: -99.866
flat angles P-C4'-P energy: -67.958
tors. eta vs tors. theta energy: -132.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1415.042526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.042526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.042526 (E_RNA)
where:
Base-Base interactions energy: -971.054
where: short stacking energy: -413.205
Base-Backbone interact. energy: -0.923
local terms energy: -443.065629
where:
bonds (distance) C4'-P energy: -88.998
bonds (distance) P-C4' energy: -76.679
flat angles C4'-P-C4' energy: -93.577
flat angles P-C4'-P energy: -62.221
tors. eta vs tors. theta energy: -121.591
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: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1227.918049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.918049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.918049 (E_RNA)
where:
Base-Base interactions energy: -809.675
where: short stacking energy: -375.540
Base-Backbone interact. energy: -0.400
local terms energy: -417.843264
where:
bonds (distance) C4'-P energy: -71.135
bonds (distance) P-C4' energy: -92.333
flat angles C4'-P-C4' energy: -90.443
flat angles P-C4'-P energy: -62.835
tors. eta vs tors. theta energy: -101.099
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: 498
Temperature: 1.300000
Total energy: -1005.311192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.311192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.311192 (E_RNA)
where:
Base-Base interactions energy: -623.396
where: short stacking energy: -286.338
Base-Backbone interact. energy: 2.401
local terms energy: -384.315611
where:
bonds (distance) C4'-P energy: -82.264
bonds (distance) P-C4' energy: -98.433
flat angles C4'-P-C4' energy: -78.619
flat angles P-C4'-P energy: -60.379
tors. eta vs tors. theta energy: -64.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -701.682053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.682053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.682053 (E_RNA)
where:
Base-Base interactions energy: -400.286
where: short stacking energy: -195.637
Base-Backbone interact. energy: 1.019
local terms energy: -302.415040
where:
bonds (distance) C4'-P energy: -76.038
bonds (distance) P-C4' energy: -86.052
flat angles C4'-P-C4' energy: -80.489
flat angles P-C4'-P energy: -41.156
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1835.634804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.634804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.634804 (E_RNA)
where:
Base-Base interactions energy: -1285.414
where: short stacking energy: -537.285
Base-Backbone interact. energy: -1.848
local terms energy: -548.372772
where:
bonds (distance) C4'-P energy: -92.499
bonds (distance) P-C4' energy: -107.089
flat angles C4'-P-C4' energy: -119.048
flat angles P-C4'-P energy: -76.676
tors. eta vs tors. theta energy: -153.060
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: 8
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1828.780087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.780087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.780087 (E_RNA)
where:
Base-Base interactions energy: -1310.859
where: short stacking energy: -562.043
Base-Backbone interact. energy: -0.418
local terms energy: -517.503004
where:
bonds (distance) C4'-P energy: -87.676
bonds (distance) P-C4' energy: -85.190
flat angles C4'-P-C4' energy: -105.259
flat angles P-C4'-P energy: -83.978
tors. eta vs tors. theta energy: -155.401
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: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1743.578932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.578932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.578932 (E_RNA)
where:
Base-Base interactions energy: -1230.444
where: short stacking energy: -497.850
Base-Backbone interact. energy: -0.865
local terms energy: -512.270041
where:
bonds (distance) C4'-P energy: -90.323
bonds (distance) P-C4' energy: -101.682
flat angles C4'-P-C4' energy: -106.120
flat angles P-C4'-P energy: -69.787
tors. eta vs tors. theta energy: -144.358
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: 4, replica: 2
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1707.683603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.683603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.683603 (E_RNA)
where:
Base-Base interactions energy: -1209.208
where: short stacking energy: -514.416
Base-Backbone interact. energy: -2.902
local terms energy: -495.573299
where:
bonds (distance) C4'-P energy: -88.159
bonds (distance) P-C4' energy: -75.653
flat angles C4'-P-C4' energy: -109.932
flat angles P-C4'-P energy: -73.935
tors. eta vs tors. theta energy: -147.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1606.114313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.114313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.114313 (E_RNA)
where:
Base-Base interactions energy: -1139.870
where: short stacking energy: -474.473
Base-Backbone interact. energy: 1.815
local terms energy: -468.059451
where:
bonds (distance) C4'-P energy: -85.041
bonds (distance) P-C4' energy: -75.420
flat angles C4'-P-C4' energy: -105.498
flat angles P-C4'-P energy: -59.035
tors. eta vs tors. theta energy: -143.066
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: 499
Temperature: 1.150000
Total energy: -1564.235276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.235276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.235276 (E_RNA)
where:
Base-Base interactions energy: -1101.277
where: short stacking energy: -454.413
Base-Backbone interact. energy: -2.495
local terms energy: -460.462887
where:
bonds (distance) C4'-P energy: -74.305
bonds (distance) P-C4' energy: -86.536
flat angles C4'-P-C4' energy: -98.899
flat angles P-C4'-P energy: -73.460
tors. eta vs tors. theta energy: -127.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1377.793791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.793791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.793791 (E_RNA)
where:
Base-Base interactions energy: -930.757
where: short stacking energy: -407.302
Base-Backbone interact. energy: -1.455
local terms energy: -445.582432
where:
bonds (distance) C4'-P energy: -82.846
bonds (distance) P-C4' energy: -96.372
flat angles C4'-P-C4' energy: -98.104
flat angles P-C4'-P energy: -62.042
tors. eta vs tors. theta energy: -106.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1235.720690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.720690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.720690 (E_RNA)
where:
Base-Base interactions energy: -849.275
where: short stacking energy: -372.222
Base-Backbone interact. energy: 4.452
local terms energy: -390.897698
where:
bonds (distance) C4'-P energy: -67.221
bonds (distance) P-C4' energy: -89.787
flat angles C4'-P-C4' energy: -90.340
flat angles P-C4'-P energy: -47.546
tors. eta vs tors. theta energy: -96.005
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: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -995.608284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.608284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.608284 (E_RNA)
where:
Base-Base interactions energy: -655.128
where: short stacking energy: -299.418
Base-Backbone interact. energy: -0.219
local terms energy: -340.261219
where:
bonds (distance) C4'-P energy: -72.197
bonds (distance) P-C4' energy: -73.295
flat angles C4'-P-C4' energy: -86.244
flat angles P-C4'-P energy: -52.731
tors. eta vs tors. theta energy: -55.793
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: 3
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -715.565084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.565084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.565084 (E_RNA)
where:
Base-Base interactions energy: -420.045
where: short stacking energy: -193.006
Base-Backbone interact. energy: 1.897
local terms energy: -297.416996
where:
bonds (distance) C4'-P energy: -63.376
bonds (distance) P-C4' energy: -83.410
flat angles C4'-P-C4' energy: -77.914
flat angles P-C4'-P energy: -45.161
tors. eta vs tors. theta energy: -27.556
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: 6
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1852.519835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.519835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.519835 (E_RNA)
where:
Base-Base interactions energy: -1278.537
where: short stacking energy: -539.264
Base-Backbone interact. energy: -3.667
local terms energy: -570.315143
where:
bonds (distance) C4'-P energy: -101.684
bonds (distance) P-C4' energy: -103.378
flat angles C4'-P-C4' energy: -119.809
flat angles P-C4'-P energy: -85.527
tors. eta vs tors. theta energy: -159.918
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: 2, replica: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1798.402930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.402930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.402930 (E_RNA)
where:
Base-Base interactions energy: -1265.151
where: short stacking energy: -536.377
Base-Backbone interact. energy: -1.291
local terms energy: -531.961146
where:
bonds (distance) C4'-P energy: -99.526
bonds (distance) P-C4' energy: -99.173
flat angles C4'-P-C4' energy: -109.414
flat angles P-C4'-P energy: -75.897
tors. eta vs tors. theta energy: -147.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1736.401976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.401976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.401976 (E_RNA)
where:
Base-Base interactions energy: -1226.505
where: short stacking energy: -517.508
Base-Backbone interact. energy: -3.252
local terms energy: -506.644438
where:
bonds (distance) C4'-P energy: -94.199
bonds (distance) P-C4' energy: -86.437
flat angles C4'-P-C4' energy: -113.758
flat angles P-C4'-P energy: -74.272
tors. eta vs tors. theta energy: -137.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1693.967271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.967271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.967271 (E_RNA)
where:
Base-Base interactions energy: -1188.629
where: short stacking energy: -478.979
Base-Backbone interact. energy: -1.908
local terms energy: -503.430310
where:
bonds (distance) C4'-P energy: -88.023
bonds (distance) P-C4' energy: -95.302
flat angles C4'-P-C4' energy: -106.017
flat angles P-C4'-P energy: -66.789
tors. eta vs tors. theta energy: -147.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1649.472034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.472034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.472034 (E_RNA)
where:
Base-Base interactions energy: -1175.522
where: short stacking energy: -488.157
Base-Backbone interact. energy: -0.775
local terms energy: -473.174291
where:
bonds (distance) C4'-P energy: -83.000
bonds (distance) P-C4' energy: -89.039
flat angles C4'-P-C4' energy: -99.050
flat angles P-C4'-P energy: -67.636
tors. eta vs tors. theta energy: -134.449
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: 500
Temperature: 1.150000
Total energy: -1569.982241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.982241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.982241 (E_RNA)
where:
Base-Base interactions energy: -1108.465
where: short stacking energy: -468.567
Base-Backbone interact. energy: -1.981
local terms energy: -459.535655
where:
bonds (distance) C4'-P energy: -75.061
bonds (distance) P-C4' energy: -73.837
flat angles C4'-P-C4' energy: -97.740
flat angles P-C4'-P energy: -71.296
tors. eta vs tors. theta energy: -141.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1399.353322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.353322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.353322 (E_RNA)
where:
Base-Base interactions energy: -964.830
where: short stacking energy: -422.403
Base-Backbone interact. energy: -1.514
local terms energy: -433.009498
where:
bonds (distance) C4'-P energy: -75.641
bonds (distance) P-C4' energy: -79.215
flat angles C4'-P-C4' energy: -96.069
flat angles P-C4'-P energy: -63.293
tors. eta vs tors. theta energy: -118.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1246.838230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.838230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.838230 (E_RNA)
where:
Base-Base interactions energy: -859.076
where: short stacking energy: -390.341
Base-Backbone interact. energy: 1.423
local terms energy: -389.185094
where:
bonds (distance) C4'-P energy: -75.925
bonds (distance) P-C4' energy: -65.759
flat angles C4'-P-C4' energy: -92.467
flat angles P-C4'-P energy: -54.169
tors. eta vs tors. theta energy: -100.864
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: 500
Temperature: 1.300000
Total energy: -1012.363300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.363300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.363300 (E_RNA)
where:
Base-Base interactions energy: -648.973
where: short stacking energy: -287.496
Base-Backbone interact. energy: 4.962
local terms energy: -368.352141
where:
bonds (distance) C4'-P energy: -76.045
bonds (distance) P-C4' energy: -78.642
flat angles C4'-P-C4' energy: -87.464
flat angles P-C4'-P energy: -54.718
tors. eta vs tors. theta energy: -71.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -692.067038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.067038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.067038 (E_RNA)
where:
Base-Base interactions energy: -394.098
where: short stacking energy: -205.410
Base-Backbone interact. energy: 1.103
local terms energy: -299.071688
where:
bonds (distance) C4'-P energy: -72.480
bonds (distance) P-C4' energy: -75.751
flat angles C4'-P-C4' energy: -83.455
flat angles P-C4'-P energy: -45.623
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1831.155857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.155857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.155857 (E_RNA)
where:
Base-Base interactions energy: -1289.956
where: short stacking energy: -522.900
Base-Backbone interact. energy: -3.143
local terms energy: -538.057267
where:
bonds (distance) C4'-P energy: -87.940
bonds (distance) P-C4' energy: -105.555
flat angles C4'-P-C4' energy: -110.703
flat angles P-C4'-P energy: -85.884
tors. eta vs tors. theta energy: -147.975
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: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1795.173557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.173557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.173557 (E_RNA)
where:
Base-Base interactions energy: -1261.919
where: short stacking energy: -521.164
Base-Backbone interact. energy: -1.675
local terms energy: -531.579984
where:
bonds (distance) C4'-P energy: -96.890
bonds (distance) P-C4' energy: -101.585
flat angles C4'-P-C4' energy: -110.806
flat angles P-C4'-P energy: -70.294
tors. eta vs tors. theta energy: -152.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1750.568140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.568140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.568140 (E_RNA)
where:
Base-Base interactions energy: -1220.904
where: short stacking energy: -515.642
Base-Backbone interact. energy: -3.263
local terms energy: -526.401426
where:
bonds (distance) C4'-P energy: -105.067
bonds (distance) P-C4' energy: -89.437
flat angles C4'-P-C4' energy: -107.890
flat angles P-C4'-P energy: -82.055
tors. eta vs tors. theta energy: -141.953
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: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1703.619148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.619148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.619148 (E_RNA)
where:
Base-Base interactions energy: -1197.220
where: short stacking energy: -501.675
Base-Backbone interact. energy: -1.914
local terms energy: -504.485079
where:
bonds (distance) C4'-P energy: -91.009
bonds (distance) P-C4' energy: -96.953
flat angles C4'-P-C4' energy: -105.482
flat angles P-C4'-P energy: -71.778
tors. eta vs tors. theta energy: -139.262
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: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1633.992114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.992114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.992114 (E_RNA)
where:
Base-Base interactions energy: -1165.856
where: short stacking energy: -483.339
Base-Backbone interact. energy: -0.756
local terms energy: -467.380143
where:
bonds (distance) C4'-P energy: -80.147
bonds (distance) P-C4' energy: -81.426
flat angles C4'-P-C4' energy: -96.113
flat angles P-C4'-P energy: -80.509
tors. eta vs tors. theta energy: -129.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1573.938014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.938014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.938014 (E_RNA)
where:
Base-Base interactions energy: -1110.564
where: short stacking energy: -466.945
Base-Backbone interact. energy: 2.229
local terms energy: -465.602686
where:
bonds (distance) C4'-P energy: -85.234
bonds (distance) P-C4' energy: -81.928
flat angles C4'-P-C4' energy: -102.448
flat angles P-C4'-P energy: -62.815
tors. eta vs tors. theta energy: -133.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1382.349427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.349427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.349427 (E_RNA)
where:
Base-Base interactions energy: -935.318
where: short stacking energy: -395.780
Base-Backbone interact. energy: 3.180
local terms energy: -450.211258
where:
bonds (distance) C4'-P energy: -87.787
bonds (distance) P-C4' energy: -99.224
flat angles C4'-P-C4' energy: -95.082
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -119.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -1263.870398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.870398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.870398 (E_RNA)
where:
Base-Base interactions energy: -830.467
where: short stacking energy: -378.548
Base-Backbone interact. energy: -0.371
local terms energy: -433.032338
where:
bonds (distance) C4'-P energy: -79.896
bonds (distance) P-C4' energy: -91.794
flat angles C4'-P-C4' energy: -94.869
flat angles P-C4'-P energy: -64.996
tors. eta vs tors. theta energy: -101.477
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: 501
Temperature: 1.300000
Total energy: -999.144572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.144572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.144572 (E_RNA)
where:
Base-Base interactions energy: -637.407
where: short stacking energy: -276.237
Base-Backbone interact. energy: -3.206
local terms energy: -358.531920
where:
bonds (distance) C4'-P energy: -69.203
bonds (distance) P-C4' energy: -79.024
flat angles C4'-P-C4' energy: -86.788
flat angles P-C4'-P energy: -61.798
tors. eta vs tors. theta energy: -61.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -707.826033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.826033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.826033 (E_RNA)
where:
Base-Base interactions energy: -420.881
where: short stacking energy: -213.272
Base-Backbone interact. energy: 1.987
local terms energy: -288.932447
where:
bonds (distance) C4'-P energy: -65.347
bonds (distance) P-C4' energy: -85.046
flat angles C4'-P-C4' energy: -69.346
flat angles P-C4'-P energy: -41.560
tors. eta vs tors. theta energy: -27.634
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)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 66812399
moves confirmed later: 71382691
all moves confirmed: 138195090
percent of confirmed moves: 17.274386
current total energy: -1766.267621
recalc. total energy: -1766.267621
replica 8 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 66220610
moves confirmed later: 70588885
all moves confirmed: 136809495
percent of confirmed moves: 17.101187
current total energy: -1687.628860
recalc. total energy: -1687.628860
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 72449034
moves confirmed later: 78701534
all moves confirmed: 151150568
percent of confirmed moves: 18.893821
current total energy: -1611.191954
recalc. total energy: -1611.191954
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 78535736
moves confirmed later: 86639029
all moves confirmed: 165174765
percent of confirmed moves: 20.646846
current total energy: -1617.205162
recalc. total energy: -1617.205162
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 90683185
moves confirmed later: 102126580
all moves confirmed: 192809765
percent of confirmed moves: 24.101221
current total energy: -1548.221870
recalc. total energy: -1548.221870
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 66830282
moves confirmed later: 71280269
all moves confirmed: 138110551
percent of confirmed moves: 17.263819
current total energy: -1438.886918
recalc. total energy: -1438.886918
replica 1 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 69819718
moves confirmed later: 75266550
all moves confirmed: 145086268
percent of confirmed moves: 18.135783
current total energy: -1245.740818
recalc. total energy: -1245.740818
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 110763721
moves confirmed later: 127761057
all moves confirmed: 238524778
percent of confirmed moves: 29.815597
current total energy: -1089.814706
recalc. total energy: -1089.814706
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 143480444
moves confirmed later: 170567906
all moves confirmed: 314048350
percent of confirmed moves: 39.256044
current total energy: -828.807459
recalc. total energy: -828.807459
replica 3 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 119877852
moves confirmed later: 140025294
all moves confirmed: 259903146
percent of confirmed moves: 32.487893
current total energy: -636.007499
recalc. total energy: -636.007499
out arg RESULTS//1/Corn-f35d5abb_01
Time of doing 8000000 iterations: 32321.606 seconds